DRAFT—FOR DISCUSSION PURPOSES ONLY 6/19/2014

1. Appendix X: Methodology for Developing Statewide Health

Standard Vapor Intrusion Screening Values
(Appendix to Statewide health standard VI guidance in the Technical Guidance Manual)

The Department has calculated vapor intrusion (VI) screening values (SVs) for use with the
Statewide health standard. These screening values may be applied to appropriately collected data
for indoor air, sub-slab soil gas, near-source soil gas, soil, and groundwater. The methods used to
develop the screening values are explained in the following sections.

The screening values for subsurface media are derived using attenuation factors (). An
attenuation factor is the ratio between the contaminant concentration in indoor air and the
equilibrium soil gas concentration in the medium ( ≡ CIA/CSG).

As there are distinct attenuation factors for residential (R) and nonresidential (NR) structures,
the Department carries out separate calculations for screening values that apply to buildings
constructed for residential use that have been converted to a purely nonresidential use. These
attenuation factors (CR) are equal to the residential factors under the assumption that vapor flow
rates and indoor air exchange rates are comparable to residential structures. The converted
residential screening values are derived from the nonresidential indoor air SVs.

The VI SVs are provided in Tables 1–5 of the Statewide health standard VI guidance section
(Section II.B.6.). They will be updated periodically using current toxicological parameter values
when Ch. 250 MSCs are revised.

1.1. Indoor Air

Indoor air represents the point of exposure for inhalation of volatile chemicals in the vapor
intrusion pathway. The point of application for indoor air screening is the basement or lowest
occupied level of the building.

Contaminants that pose a risk for vapor intrusion either have a boiling point less than 200°C or a
Henry’s law constant greater than or equal to 1 x 10–5 atm-m3/mol and a molecular weight less
than 200 g/mol. Certain regulated substances meet these criteria but currently have no inhalation
toxicity values; they are listed in Table X-1. The Department has not published VI SVs for most
of these chemicals.

In the case of 1,3,5-trimethylbenzene, the Department has chosen 1,2,4-trimethylbenzene as a

surrogate for inhalation toxicity. These two substances have similar chemical and toxicological
characteristics, and this selection likely results in conservative SVs.

Indoor air screening values (SVIA) are determined from the inhalation risk equations in U.S. EPA
(2009). This method is equivalent to that used by EPA for Regional Screening Levels and in the
VISL Calculator (U.S. EPA, 2013a, 2013b). SVs for systemic toxicants (SVIA(nc)) and
carcinogens (SVIA(c)) are calculated in units of micrograms per cubic meter (g/m3).

Appendix X: VI Screening Methods –1–

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For systemic toxicants (non-carcinogens), the indoor air screening value is:
days hr
THQ RfC AT 365 24 1000 μg
yr day
SV
ET EF ED mg

For carcinogens, the indoor air screening value is:

days hr
TR AT 365 24
yr day
SV
IUR ET EF ED

For substances classified as mutagens, except for vinyl chloride and trichloroethylene, the
residential carcinogenic indoor air screening value is:
days hr
TR AT 365 24
yr day
SV , ,
IUR ET EF AED

For vinyl chloride, the residential carcinogenic indoor air screening value is:
TR
SV , ,
IUR ET EF ED
IUR
days hr
AT 365 24
yr day

For trichloroethylene, the residential carcinogenic indoor air screening value is:
days hr
TR AT 365 24
yr day
SV , ,
IUR AED IUR ED ET EF
As TCE has a mutagenic mode of action for the kidneys, the residential carcinogenic SV is
calculated using distinct IUR values for kidney cancer and non-Hodgkin lymphoma and liver
cancer (U.S. EPA, 2011a).

The variables and exposure factors in the above equations are defined in Table X-2. Certain
conditions are explained in 25 Pa. Code §250.307(h).

Residential and nonresidential indoor air screening values are defined as the lower of the
applicable systemic, carcinogenic, and/or mutagenic values. The toxicity parameters used are
from 25 Pa. Code Ch. 250, Appendix A, Table 5A (Table X-5).

Table X-1. Volatile substances without inhalation toxicity data.

Regulated Substance CAS No.
ACENAPHTHENE 83-32-9
ACENAPHTHYLENE 208-96-8
ACETOPHENONE 98-86-2
AMMONIUM SULFAMATE 7773-06-0
ANTHRACENE 120-12-7
BENZOTRICHLORIDE 98-07-7
BUTYL ALCOHOL, N- 71-36-3

Appendix X: VI Screening Methods –2–

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Regulated Substance CAS No.

BUTYLATE 2008-41-5
BUTYLBENZENE, N- 104-51-8
BUTYLBENZENE, SEC- 135-98-8
BUTYLBENZENE, TERT- 98-06-6
CHLOROACETALDEHYDE 107-20-0
CHLOROBUTANE, 1- 109-69-3
CHLORONAPHTHALENE, 2- 91-58-7
CHLOROPHENOL, 2- 95-57-8
CHLOROTOLUENE, O- 95-49-8
CHLOROTOLUENE, P- 106-43-4
CRESOL, O- (METHYLPHENOL, 2-) 95-48-7
CROTONALDEHYDE 4170-30-3
CROTONALDEHYDE, TRANS- 123-73-9
DICHLOROBENZENE, 1,3- 541-73-1
DICHLOROETHYLENE, CIS-1,2- 156-59-2
DICHLOROPROPIONIC ACID, 2,2- (DALAPON) 75-99-0
DIISOPROPYL METHYLPHOSPHONATE 1445-75-6
DIMETHYL METHYLPHOSPHONATE 756-79-6
DIMETHYLANILINE, N,N- 121-69-7
DITHIANE, 1,4- 505-29-3
ETHYL ACETATE 141-78-6
ETHYL ACRYLATE 140-88-5
ETHYL DIPROPYLTHIOCARBAMATE, S- (EPTC) 759-94-4
ETHYL ETHER 60-29-7
ETHYLENE CHLORHYDRIN 107-07-3
FLUORENE 86-73-7
FURAN 110-00-9
ISOBUTYL ALCOHOL 78-83-1
METHYL ACETATE 79-20-9
METHYLSTYRENE, ALPHA 98-83-9
METOLACHLOR 51218-45-2
MONOCHLOROACETIC ACID 79-11-8
NITROPHENOL, 2- 88-75-5
NITROPHENOL, 4- 100-02-7
PENTACHLOROETHANE 76-01-7
PHENANTHENE 85-01-8
PHENYL MERCAPTAN 108-98-5
PYRIDINE 110-86-1
TRICHLOROACETIC ACID 76-03-9
TRICHLOROPROPANE, 1,1,2- 598-77-6
TRIMETHYLBENZENE, 1,3,5- 108-67-8
TRINITROGLYCEROL (NITROGLYCERIN) 55-63-0

Appendix X: VI Screening Methods –3–

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Table X-2. Inhalation risk variables.

Symbol Term Residential Nonresidential
THQ Target Hazard Quotient, systemic toxicants 1.0 1.0
RfCi Inhalation Reference Concentration (mg/m3) Table X-5 Table X-5
ATnc Averaging Time for systemic toxicants (yr) 30 25
ET Exposure Time (hr/day) 24 8
EF Exposure Frequency (days/yr) 350 250
ED Exposure Duration (yr) 30 25
TR Target Risk, carcinogens 1 x 10–5 1 x 10–5
IUR Inhalation Unit Risk ((g/m3)–1) Table X-5 Table X-5
ATc Averaging Time for carcinogens (yr) 70 70
AED Combined Age-Dependent Adjustment Factor and 76 N/A
Exposure Duration (yr)
IURk TCE IUR, residential, kidney cancer ((g/m3)–1) 1.0 x 10–6 N/A
IURl TCE IUR, residential, non-Hodgkin lymphoma and 3.1 x 10–6 N/A
liver cancer ((g/m3)–1)

1.2. Sub-Slab Soil Gas

The point of application for sub-slab soil gas screening is immediately beneath the slab or
basement of a building. In some circumstances samples may be collected from behind basement
walls and below intact pavement next to buildings. Sub-slab screening values (SVSS) are defined
using attenuation factors from U.S. EPA (2012). These screening values have units of
micrograms per cubic meter (g/m3).

EPA derived a sub-slab attenuation factor (SS) from a statistical evaluation of paired sub-slab
and indoor air sampling data at 431 residential buildings at 12 sites. The data was limited to
chlorinated VOCs. The empirical attenuation factors are defined as SS = CIA/CSS.

EPA’s recommended residential attenuation factor is SS,R = 0.026, the 95th percentile of the
screened data. The Department has adopted this attenuation factor for all chemicals, including
petroleum hydrocarbons, as a conservative approach. This residential factor also applies to
nonresidential buildings that were originally constructed for residential use (SS,CR) or that have
mixed residential and commercial uses.

For nonresidential buildings that were constructed purely for nonresidential use (e.g.,
commercial, industrial, and institutional buildings), the Department adjusts EPA’s attenuation
factor to account for a higher air exchange rate in such structures. The 10th percentile air
exchange rates for residential and commercial buildings are 0.18 and 0.60 air changes per hour,
respectively (U.S. EPA, 2011b, Ch. 19). These are very conservative rates, particularly for
nonresidential buildings which typically have values exceeding 1 hr–1. The adjusted
nonresidential sub-slab attenuation factor is:
0.18 hr –1
SS,NR 0.026 0.0078
0.60 hr –1

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DRAFT—FOR DISCUSSION PURPOSES ONLY 6/19/2014

Sub-slab screening values are calculated directly from the indoor air SVs using the applicable
attenuation factor:
SVIA
SVSS
SS
This method is equivalent to that in EPA’s VISL Calculator (U.S. EPA, 2013b).

1.3. Near-Source Soil Gas

Near-source soil gas samples are collected proximal to the source to minimize the influence of
variable effects such as soil moisture, atmospheric conditions, and leakage from the surface that
can bias shallow soil gas measurements. For groundwater, the point of application is
immediately above the capillary zone throughout the area of the plume. For soil in the vadose
zone, the point of application is within or immediately above the contaminated soil. The sample
must be obtained at least 5 feet below the surface and at or beneath the bottom of the building
foundation. Near-source soil gas screening values (SVNS) are defined using attenuation factors
derived from modeling as explained below. These SVs have units of micrograms per cubic meter
(g/m3).

The Department estimated a near-source soil gas attenuation factor (NS) by running numerous
Johnson & Ettinger model simulations (Johnson and Ettinger, 1991; U.S. EPA, 2004). The
Department utilized EPA’s advanced soil model (version 3.1, February 2004) to determine a soil
gas source concentration corresponding to each specified indoor air screening value. The
simulations encompassed 12 to 16 different chemicals, the full suite of soil types, and water-
filled porosities ranging from residual saturation to the EPA default values. The Department
made conservative assumptions of a shallow source (5 ft) and a high vapor flow rate (Qsoil = 5
L/min). EPA’s default building characteristics for a small, slab-on-grade residence were retained.
The models had low, 10th percentile values for the air exchange rate (0.18 hr–1 residential, 0.60
hr–1 nonresidential; U.S. EPA, 2011b, Ch. 19).

The results of this modeling indicated that there is relatively little variability in the soil gas
attenuation factor for different conditions. The silt soil type has the highest attenuation factor
because of its low residual water content and relatively high air-filled porosity. Representative
factors are NS,R = 0.005 and NS,NR = 0.001 for residential and nonresidential scenarios. To
further assess these values the Department examined the soil gas data in EPA’s vapor intrusion
database (U.S. EPA, 2012). Of 46 buildings at four sites with paired deep soil gas (>10 ft) and
indoor air measurements, only one exceeded the modeled attenuation factor of 0.005. (This
exception had a measured attenuation factor of 0.0075.)

Near-source screening values are calculated directly from the indoor air values using the
applicable attenuation factor:
SV
SVNS
NS

1.4. Soil
Soil samples may be collected as part of the site characterization or a demonstration of
attainment. The point of application is throughout the area of contamination. Screening may be
applied when soil contamination is at least 5 feet deep and not in contact with the building

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DRAFT—FOR DISCUSSION PURPOSES ONLY 6/19/2014

foundation. There must be at least a 5 ft vertical section of clean soil-like material between the
contamination and the foundation. Pure-phase contaminants (such as LNAPL) must not be
present. Soil screening values (SVsoil) are defined as the higher of a calculated screening value
and the Department’s generic soil-to-groundwater pathway numeric value for a used aquifer. Soil
screening values have units of milligrams per kilogram (mg/kg).

The calculated screening value is based on equilibrium partitioning of the contaminant between
the sorbed phase on soil, the dissolved phase in pore water, and the vapor phase in the pore
space. This relationship is given in 25 Pa. Code §250.308(a)(3), with the dilution factor set to 1:
1 mg
SVsoil 
1000 μg
where SV′soil is the calculated screening value for soil (mg/kg) and Cpw is the concentration in
pore water (g/L). The other parameters are defined in Table X-3. The value of foc is from 25 Pa.
Code §250.308(a)(3). The dry bulk density used is representative of typical soil types (U.S. EPA,
2004). The Department defines w equal to 0.1 to represent relatively dry conditions, close to
residual saturation, beneath a building.

The pore water concentration is related to the pore vapor concentration (Cpv) by Henry’s law:
1 m3

′ 1000 L
where Cpv has units of micrograms per cubic meter (g/m3). H′ is calculated at a soil temperature
of 11°C.

The allowable pore vapor concentration is determined from the indoor air screening value by
means of attenuation factors equal to the near-source soil gas attenuation factors (soil = NS):
SV

The near-source soil gas attenuation factors were determined through Johnson & Ettinger model
testing as described above.

Each calculated screening value is compared to the generic soil-to-groundwater pathway numeric
value for a used aquifer (25 Pa. Code Ch. 250, Appendix A, Table 3B), and the higher of the two
values is defined as the soil screening value for vapor intrusion (SVsoil). The generic soil-to-
groundwater numeric values are considered appropriate for vapor intrusion screening because
soil contamination that is unable to impact aquifers in excess of groundwater MSCs is also
unlikely to pose an excess inhalation risk. The Department also recognizes that these screening
values do not account for the natural biological degradation of petroleum hydrocarbons in soil
vapor and that soil contamination commonly occurs outside the footprint of potentially impacted
buildings.

Table X-3. Soil partitioning parameters.

Symbol Description Value
foc fraction organic carbon in soil 0.0025
Koc organic carbon partitioning coefficient (L/kg) Table X-5
w water-filled porosity of soil 0.1
b dry bulk density of soil (kg/L) 1.5

Appendix X: VI Screening Methods –6–

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H′ Henry’s law constant at soil temperature Table X-5

1.5. Groundwater
Groundwater data that has been collected as part of the site characterization or a demonstration
of attainment may be used for vapor intrusion screening. The point of application is the area of
the groundwater plume. Groundwater cannot be in contact with the building foundation, the
depth to water must be at least 5 feet, and there must be at least 5 feet of clean soil-like material
between the groundwater and the foundation. Groundwater samples must be collected from
properly constructed monitoring wells screened across the water table, and the wetted length of
well screen should be no more than 10 feet. Pure-phase contaminants (such as LNAPL) must not
be present. Groundwater screening values (SVGW) are defined using attenuation factors from
U.S. EPA (2012). Screening values have units of micrograms per liter (g/L).

EPA derived a groundwater attenuation factor (GW) from a statistical evaluation of paired
groundwater and indoor air sampling data at 774 residential buildings at 24 sites. The data was
limited to chlorinated VOCs. The empirical attenuation factors are defined as GW = CIA/CGW.

EPA’s recommended residential attenuation factor is 0.0012, the 95th percentile of the screened
data. The Department has adopted this attenuation factor for all chemicals, including petroleum
hydrocarbons, as a conservative approach. This residential factor (GW,R) also applies to
nonresidential buildings that were originally constructed for residential use (GW,CR) or that have
mixed residential and commercial use.

For nonresidential buildings that were constructed purely for nonresidential use (e.g.,
commercial, industrial, and institutional buildings), the Department adjusts EPA’s attenuation
factor to account for a higher air exchange rate in such structures. The 10th percentile air
exchange rates for residential and commercial buildings are 0.18 and 0.60 air changes per hour,
respectively (U.S. EPA, 2011b, Ch. 19). The adjusted nonresidential sub-slab attenuation factor
is:
0.18 hr –1
GW,NR 0.0012 0.00036
0.60 hr –1

Calculated groundwater screening values (SV′GW) are determined from the indoor air SVs using
the applicable attenuation factor and a conversion from soil gas to a dissolved concentration via
Henry’s law:
SV 1
SV
GW 1000 L/m3 ′
where H′ is the nondimensional Henry’s law constant at the groundwater temperature (Table X-
5). The Department calculates the Henry’s law constant at a groundwater temperature of 11°C.

Each calculated screening value is compared to the groundwater MSC for a used aquifer (25 Pa.
Code Ch. 250, Appendix A, Table 1). The groundwater screening value for vapor intrusion
(SVGW) is defined as the maximum of the calculated screening value (SV′GW), the MSC, and the
aqueous solubility (S). The Department regards the groundwater MSCs as suitable for vapor
intrusion screening because they are acceptable for water used inside homes, including inhalation
exposures.

Appendix X: VI Screening Methods –7–

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1.6. Summary
The attenuation factors used to calculate the vapor intrusion screening values are listed in Table
X-4. The sub-slab and groundwater attenuation factors are based on EPA’s empirical database
(U.S. EPA, 2012). The near-source soil gas and soil attenuation factors are equivalent, and they
are defined from the Department’s modeling studies.

Table X-4. Attenuation factors

Environmental Medium R NR CR
Sub-slab soil gas 0.026 0.0078 0.026
Near-source soil gas 0.005 0.001 0.005
Soil 0.005 0.001 0.005
Groundwater 0.0012 0.00036 0.0012
R: residential buildings
NR: nonresidential buildings
CR: residential building converted to nonresidential use

These attenuation factors may also be used within a site-specific standard risk assessment to
estimate indoor air concentrations from soil, groundwater, and soil gas data.

1.7. References
Johnson, P.C., and R. A. Ettinger, 1991, Heuristic model for predicting the intrusion rate of
contaminant vapors into buildings, Environmental Science & Technology, 25, 1445–1452.
http://pubs.acs.org/doi/abs/10.1021/es00020a013
U.S. Environmental Protection Agency (EPA), 2004, User’s Guide for Evaluating Subsurface
Vapor Intrusion into Buildings, Office of Emergency and Remedial Response, Washington,
DC.
http://www.epa.gov/oswer/riskassessment/airmodel/johnson_ettinger.htm
U.S. Environmental Protection Agency (EPA), 2009, Risk Assessment Guidance for Superfund
(RAGS), Volume 1: Human Health Evaluation Manual (Part F, Supplemental Guidance for
Inhalation Risk Assessment), Office of Superfund Remediation and Technology Innovation,
Washington, DC, EPA-540-R-070-002.
http://www.epa.gov/oswer/riska will be updated periodically with current toxicological
parameter values when Ch. 250 MSCs are revised.hssessment/ragsf/index.htm
U.S. Environmental Protection Agency (EPA), 2011a, Toxicological Review of
Trichloroethylene, National Center for Environmental Assessment, Washington, DC,
EPA/635/R-09/011F.
http://www.epa.gov/iris/supdocs/0199index.html
U.S. Environmental Protection Agency (EPA), 2011b, Exposure Factors Handbook, Office of
Research and Development, Washington, DC, EPA/600/R-09/052F.
http://cfpub.epa.gov/ncea/cfm/recordisplay.cfm?deid=20563
U.S. Environmental Protection Agency (EPA), 2012, EPA’s Vapor Intrusion Database:
Evaluation and Characterization of Attenuation Factors for Chlorinated Volatile Organic
Compounds and Residential Buildings, Office of Solid Waste and Emergency Response,

Appendix X: VI Screening Methods –8–

DRAFT—FOR DISCUSSION PURPOSES ONLY 6/19/2014

Washington, DC, EPA 530-R-10-002.

http://www.epa.gov/oswer/vaporintrusion/guidance.html#Item2
U.S. Environmental Protection Agency (EPA), 2013a, Regional Screening Levels for Chemical
Contaminants at Superfund Sites, User’s Guide, Mid-Atlantic Hazardous Sites Cleanup,
Philadelphia, PA.
http://www.epa.gov/reg3hwmd/risk/human/rb-concentration_table/index.htm
U.S. Environmental Protection Agency (EPA), 2013b, Vapor Intrusion Screening Level (VISL)
Calculator, User’s Guide, Office of Superfund Remediation and Technology Innovation,
Washington, DC.
http://www.epa.gov/oswer/vaporintrusion/guidance.html#Item6

C. David Brown | PA DEP | 14 May 2014 | rev. 17 Jun 2014

Appendix X: VI Screening Methods –9–

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Table X-5. Vapor intrusion screening value calculation parameters.

MW Koc S TB TC Hv,b H H' RfCi
Regulated Substance CAS No.
(g/mol) (L/kg) (mg/L) (°C) (K) (cal/mol) (atm-m3/mol) (@ Tgw) (mg/m3) (g/m3)–1
ACETALDEHYDE 75-07-0 44.05 4.1 1,000,000 20 466 6,157 6.7 x 10–5 1.6 x 10–3 –3
9.0 x 10IUR 2.2 x 10–6
ACETONE 67-64-1 58.08 0.31 1,000,000 56 508 6,955 3.5 x 10–5 7.6 x 10–4 3.1 x 10+1
ACETONITRILE 75-05-8 41.05 0.5 1,000,000 82 546 7,110 3.5 x 10–5 7.3 x 10–4 6.0 x 10–2
ACROLEIN 107–2-8 56.06 0.56 208,000 53 506 6,731 1.2 x 10–4 2.7 x 10–3 2.0 x 10–5
ACRYLAMIDE 79–6-1 71.08 25 2,151,000 193 818 12,363 1.7 x 10–9 2.2 x 10–8 6.0 x 10–3 1.0 x 10–4
ACRYLIC ACID 79-10-7 72.06 29 1,000,000 141 617 11,000 3.7 x 10–7 5.0 x 10–6 1.0 x 10–3
ACRYLONITRILE 107-13-1 53.06 11 73,500 77 519 7,786 1.4 x 10–4 2.7 x 10–3 2.0 x 10–3 6.8 x 10–5
ALLYL ALCOHOL 107-18-6 58.08 3.2 1,000,000 97 545 9,550 5.0 x 10–6 8.1 x 10–5 1.0 x 10–4
AMMONIA 7664-41-7 17.03 3.1 310,000 –33 406 5,572 1.6 x 10–5 4.3 x 10–4 1.0 x 10–1
ANILINE 62-53-3 93.13 190 33,800 184 699 10,000 2.0 x 10–6 3.0 x 10–5 1.0 x 10–3 1.6 x 10–6
BENZENE 71-43-2 78.11 58 1,781 81 562 7,342 5.6 x 10–3 1.2 x 10–1 3.0 x 10–2 7.8 x 10–6
BENZYL CHLORIDE 100-44-7 126.59 190 493 179 685 8,773 4.1 x 10–4 6.9 x 10–3 1.0 x 10–3 4.9 x 10–5
BETA PROPIOLACTONE 57-57-8 72.06 4 370,000 162 686 10,285 1.3 x 10–5 1.9 x 10+2 4.0 x 10–3
BIPHENYL, 1,1- 92-52-4 154.21 1700 7 255 789 10,890 3.1 x 10–4 3.9 x 10–3 4.0 x 10–4
BIS(2-CHLOROETHYL)ETHER 111-44-4 143.01 76 10,200 179 660 10,803 1.7 x 10–5 2.2 x 10–4 3.3 x 10–4
BIS(2-CHLORO-ISOPROPYL)ETHER 108-60-1 171.07 62 1,700 189 690 9,695 7.4 x 10–5 1.1 x 10–3 1.0 x 10–5
BIS(CHLOROMETHYL)ETHER 542-88-1 114.96 16 22,000 105 569 7,981 4.4 x 10–3 8.2 x 10–2 6.2 x 10–2
BROMOCHLOROMETHANE 74-97-5 129.38 27 16,700 68 512 7,168 1.5 x 10–3 3.1 x 10–2 4.0 x 10 –2

BROMODICHLOROMETHANE 75-27-4 163.83 93 4,500 87 586 7,800 2.1 x 10–3 4.2 x 10–2 3.7 x 10–5
BROMOMETHANE 74-83-9 94.94 170 17,500 4 467 5,714 7.3 x 10–3 1.9 x 10–1 5.0 x 10–3
BUTADIENE, 1,3- 106-99– 54.09 120 735 –5 425 5,370 7.4 x 10–2 2.0 x 10+0 2.0 x 10–3 3.0 x 10–5
CARBON DISULFIDE 75-15– 76.13 300 2,100 46 552 6,391 1.4 x 10–2 3.4 x 10–1 7.0 x 10–1
CARBON TETRACHLORIDE 56-23-5 153.82 160 795 77 557 7,127 2.8 x 10–2 5.9 x 10–1 1.0 x 10–1 6.0 x 10–6
CHLORO-1,1-DIFLUOROETHANE, 1- 75-68-3 100.5 22 1,400 –9 410 53,298 5.9 x 10–2 3.6 x 10–2 5.0 x 10+1
CHLORO-1-PROPENE, 3- (ALLYL
107–5-1 76.53 48 3,300 45 514 6,936 1.1 x 10–2 2.4 x 10–1 1.0 x 10–3 6.0 x 10–6
CHLORIDE)
CHLOROBENZENE 108-90-7 112.56 200 490 132 632 8,410 3.1 x 10–3 5.6 x 10–2 5.0 x 10–2
CHLORODIBROMOMETHANE 124-48-1 208.28 83 4,200 116 678 5,900 7.8 x 10–4 1.9 x 10–2 2.7 x 10–5
CHLORODIFLUOROMETHANE 75-45-6 86.47 59 2,899 –41 369 4,836 4.1 x 10–2 1.2 x 10+0 5.0 x 10+1

VI Screening Methods –10–

DRAFT—FOR DISCUSSION PURPOSES ONLY 6/19/2014

MW Koc S TB TC Hv,b H H' RfCi

Regulated Substance CAS No.
(g/mol) (L/kg) (mg/L) (°C) (K) (cal/mol) 3
(atm-m /mol) (@ Tgw) (mg/m3) (g/m3)–1
CHLOROETHANE 75–0-3 64.52 42 5,700 12 460 5,879 1.1 x 10–2 2.8 x 10–1 +1
1.0 x 10IUR
CHLOROFORM 67-66-3 119.38 56 8,000 61 536 6,988 3.7 x 10–3 8.0 x 10–2 9.8 x 10–2 2.3 x 10–5
CHLOROPRENE 126-99-8 88.54 50 1,736 59 525 8,075 5.6 x 10–2 1.1 x 10+0 2.0 x 10–2 3.0 x 10–3
CHLOROPROPANE, 2- 75-29-6 78.54 260 3,100 47 485 6,286 1.8 x 10–2 4.1 x 10–1 1.0 x 10–1
CRESOL(S) 1319-77-3 108.14 25 20,000 139 701 10,886 1.2 x 10–6 1.8 x 10–5 6.0 x 10–1
CUMENE (ISOPROPYL BENZENE) 98-82-8 120.2 2800 50 152 631 10,335 1.2 x 10–2 1.6 x 10–1 4.0 x 10–1
CYCLOHEXANE 110-82-7 84.16 479 55 81 553 7,154 1.5 x 10–1 3.2 x 10+0 6.0 x 10+0
CYCLOHEXANONE 108-94-1 98.15 66 36,500 157 653 9,500 9.0 x 10–6 1.4 x 10–4 7.0 x 10–1
DIBROMO-3-CHLOROPROPANE, 1,2- 96-12-8 236.33 140 1,000 196 704 9,960 1.5 x 10–4 2.1 x 10–3 2.0 x 10–4 6.0 x 10–3
DIBROMOETHANE, 1,2- (ETHYLENE
106-93-4 187.86 54 4,150 131 583 8,310 6.5 x 10–4 1.1 x 10–2 9.0 x 10–3 6.0 x 10–4
DIBROMIDE)
DIBROMOMETHANE 74-95-3 173.84 110 11,400 96 583 7,868 8.2 x 10–4 1.6 x 10–2 4.0 x 10–3
DICHLORO-2-BUTENE, 1,4- 764-41– 125 180 850 156 647 8,875 6.6 x 10–4 1.1 x 10–2 4.2 x 10–3
DICHLORO-2-BUTENE, TRANS-1,4- 110-57-6 125 215 850 155 646 9,125 6.6 x 10–4 1.1 x 10–2 4.2 x 10–3
DICHLOROBENZENE, 1,2- 95-50-1 147 350 147 180 705 9,700 1.9 x 10–3 3.0 x 10–2 2.0 x 10–1
DICHLOROBENZENE, P- 106-46-7 147 510 83 174 685 9,271 2.4 x 10–3 3.9 x 10–2 8.0 x 10–1 1.1 x 10–5
DICHLORODIFLUOROMETHANE
75-71-8 120.91 360 280 –30 385 9,421 3.4 x 10–1 7.0 x 10+0 1.0 x 10–1
(FREON 12)
DICHLOROETHANE, 1,1- 75-34-3 98.96 52 5,000 57 523 6,895 5.6 x 10–3 1.2 x 10–1 5.0 x 10–1 1.6 x 10–6
DICHLOROETHANE, 1,2- 107–6-2 98.96 38 8,412 83 561 7,643 1.2 x 10–3 2.4 x 10–2 7.0 x 10–3 2.6 x 10–5
DICHLOROETHYLENE, 1,1- 75-35-4 96.94 65 2,500 32 576 6,247 2.6 x 10–2 6.3 x 10–1 2.0 x 10–1
DICHLOROETHYLENE, TRANS-1,2- 156-60-5 96.94 47 6,300 48 517 6,717 4.1 x 10–3 9.2 x 10–2 6.0 x 10–2
DICHLOROMETHANE (METHYLENE
75–9-2 84.93 16 20,000 40 510 6,706 3.3 x 10–3 7.4 x 10–2 6.0 x 10–1 1.0 x 10–8
CHLORIDE)
DICHLOROPROPANE, 1,2- 78-87-5 112.99 47 2,700 96 572 7,590 2.8 x 10–3 5.6 x 10–2 4.0 x 10–3 1.0 x 10–5
DICHLOROPROPENE, 1,3- 542-75-6 110.97 27 2,700 108 587 7,900 3.6 x 10–3 6.8 x 10–2 2.0 x 10–2 4.0 x 10–6
DICYCLOPENTADIENE 77-73-6 132.21 810 40 167 665 2,197 6.3 x 10–2 2.0 x 10+0 7.0 x 10–3
DIOXANE, 1,4- 123-91-1 88.11 7.8 1,000,000 101 587 8,690 4.8 x 10–6 8.6 x 10–5 1.1 x 10–1 7.7 x 10–6
EPICHLOROHYDRIN 106-89-8 92.53 35 65,800 116 600 10 3.0 x 10–5 1.2 x 10–3 1.0 x 10–3 1.2 x 10–6
ETHOXYETHANOL, 2- (EGEE) 110-80-5 90.12 12 1,000,000 136 572 9,368 4.7 x 10–7 7.2 x 10–6 2.0 x 10–1
ETHYL BENZENE 100-41-4 106.17 220 161 136 617 8,501 7.9 x 10–3 1.4 x 10–1 1.0 x 10+0

VI Screening Methods –11–

DRAFT—FOR DISCUSSION PURPOSES ONLY 6/19/2014

MW Koc S TB TC Hv,b H H' RfCi

Regulated Substance CAS No.
(g/mol) (L/kg) (mg/L) (°C) (K) (cal/mol) 3
(atm-m /mol) (@ Tgw) (mg/m3) (g/m3)–1
ETHYL METHACRYLATE 97-63-2 114.15 22 4,636 117 571 10,957 5.7 x 10–4 7.9 x 10–3 –1
3.0 x 10IUR
ETHYLENE GLYCOL 107-21-1 62.07 4.4 1,000,000 198 718 12,550 6.0 x 10–8 6.8 x 10–7 4.0 x 10–1
FLUOROTRICHLOROMETHANE
75-69-4 137.37 130 1,090 24 471 5,999 9.7 x 10–2 2.4 x 10+0 7.0 x 10–1
(FREON 11)
FORMALDEHYDE 50–0– 30.03 3.6 55,000 –21 408 5,500 3.4 x 10–7 9.0 x 10–6 9.8 x 10–3 1.3 x 10–5
FORMIC ACID 64-18-6 46.03 0.54 1,000,000 101 588 5,240 1.7 x 10–7 4.2 x 10–6 3.0 x 10–4
FURFURAL 98–1-1 96.09 6.3 91,000 162 670 9,826 3.8 x 10–6 5.8 x 10–5 5.0 x 10–2
HEXACHLOROETHANE 67-72-1 236.74 2200 50 187 695 9,510 3.9 x 10–3 6.0 x 10–2 3.0 x 10–2 1.0 x 10–5
HEXANE 110-54-3 86.18 3600 10 69 508 6,895 1.8 x 10+0 3.9 x 10+1 7.0 x 10–1
HYDRAZINE/HYDRAZINE SULFATE 302–1-2 32.05 0.0053 1,000,000 114 653 10,700 6.1 x 10–7 9.3 x 10–6 3.0 x 10–5 4.9 x 10–3
METHACRYLONITRILE 126-98-7 67.09 21 25,700 90 554 7,600 2.5 x 10–4 4.9 x 10–3 3.0 x 10–2
METHANOL 67-56-1 32.04 2.8 1,000,000 65 513 8,426 4.6 x 10–6 8.6 x 10–5 4.0 x 10+0
METHOXYETHANOL, 2- 109-86-4 76.1 0 1,000,000 124 598 8,966 3.3 x 10–7 5.6 x 10–6 2.0 x 10–2
METHYL ACRYLATE 96-33-3 86.09 55 52,000 70 536 7,749 2.0 x 10–4 4.0 x 10–3 2.0 x 10–2
METHYL CHLORIDE 74-87-3 50.49 6 6,180 –24 416 5,115 8.8 x 10–3 2.4 x 10–1 9.0 x 10–2 1.8 x 10–6
METHYL ETHYL KETONE 78-93-3 72.11 32 275,000 80 537 7,481 5.7 x 10–5 1.2 x 10–3 5.0 x 10+0
METHYL HYDRAZINE 60-34-4 1 1,000,000 88 585 8,890 3.0 x 10–6 5.4 x 10–5 2.0 x 10–5 1.0 x 10–3
METHYL ISOBUTYL KETONE 108-10-1 100.16 17 19,550 117 571 8,243 1.4 x 10–4 2.5 x 10–3 3.0 x 10+0
METHYL ISOCYANATE 624-83-9 57.05 10 100,000 40 491 6,394 9.3 x 10–4 2.2 x 10–2 1.0 x 10–3
METHYL METHACRYLATE 80-62-6 100.12 10 15,600 100 567 8,975 3.2 x 10–4 5.5 x 10–3 7.0 x 10–1
METHYL N-BUTYL KETONE (2-
591-78-6 100.16 54 17,500 128 601 8,610 9.3 x 10–5 1.6 x 10–3 3.0 x 10–2
HEXANONE)
METHYL STYRENE (MIXED
25013-15-4 118.18 2200 89 163 655 12,027 2.6 x 10–3 3.1 x 10–2 4.0 x 10–2
ISOMERS)
METHYL TERT-BUTYL ETHER
1634–4-4 88.15 12 45,000 55 497 6,678 5.9 x 10–4 1.3 x 10–2 3.0 x 10+0 2.6 x 10–7
(MTBE)
METHYLNAPHTHALENE, 2- 91-57-6 142.2 16,000 25 241 761 12,600 5.2 x 10–4 5.5 x 10–3 3.0 x 10–3
NAPHTHALENE 91-20-3 128.18 950 30 218 748 10,373 4.4 x 10–4 6.1 x 10–3 3.0 x 10–3
NITROBENZENE 98-95-3 123.11 130 2,000 211 719 10,566 2.4 x 10–5 3.2 x 10–4 9.0 x 10–3 4.0 x 10–5
NITROPROPANE, 2- 79-46-9 89.09 20 16,700 120 594 8,383 1.2 x 10–4 2.1 x 10–3 2.0 x 10–2 2.7 x 10–3
NITROSODIETHYLAMINE, N- 55-18-5 102.14 26 93,000 176 655 10,087 3.6 x 10–6 5.2 x 10–5 4.3 x 10–2

VI Screening Methods –12–

DRAFT—FOR DISCUSSION PURPOSES ONLY 6/19/2014

MW Koc S TB TC Hv,b H H' RfCi

Regulated Substance CAS No.
(g/mol) (L/kg) (mg/L) (°C) (K) (cal/mol) 3
(atm-m /mol) (@ Tgw) (mg/m3) (g/m3)–1
NITROSODIMETHYLAMINE, N- 62-75-9 74.08 8.5 1,000,000 154 645 9,448 1.8 x 10–6 2.9 x 10–5 –5
4.0 x 10IUR 1.4 x 10–2
NITROSO-DI-N-BUTYLAMINE, N- 924-16-3 158.25 450 1,200 235 584 11,653 1.3 x 10–5 9.8 x 10–5 1.6 x 10–3
PCB-1221 (AROCLOR) 11104-28-2 188.66 1900 1 275 845 12,100 7.4 x 10–4 8.5 x 10–3 5.7 x 10–4
PCB-1232 (AROCLOR) 11141-16-5 188.66 1500 1 290 845 12,200 7.4 x 10–4 8.1 x 10–3 5.7 x 10–4
PHENOL 108-95-2 94.11 22 84,300 182 694 10,920 3.3 x 10–7 4.5 x 10–6 2.0 x 10–1
PROPANOL, 2- (ISOPROPYL
67-63– 60.1 25 1,000,000 82 508 9,518 8.1 x 10–6 1.3 x 10–4 7.0 x 10+0
ALCOHOL)
PROPYLBENZENE, N- 103-65-1 120.2 720 52 159 630 9,123 1.1 x 10–2 1.7 x 10–1 1.0 x 10+0
PROPYLENE OXIDE 75-56-9 58.08 25 405,000 34 482 6,621 7.0 x 10–5 1.6 x 10–3 3.0 x 10–2 3.7 x 10–6
STYRENE 100-42-5 104.15 910 300 145 636 8,737 2.8 x 10–3 4.7 x 10–2 1.0 x 10+0
TETRACHLOROETHANE, 1,1,1,2- 630-20-6 167.85 980 1,100 131 624 9,768 2.5 x 10–3 3.9 x 10–2 7.4 x 10–6
TETRACHLOROETHANE, 1,1,2,2- 79-34-5 167.85 79 2,860 147 661 8,996 3.7 x 10–4 6.2 x 10–3 5.8 x 10–5
TETRACHLOROETHYLENE (PCE) 127-18-4 165.83 300 162 121 620 8,288 1.8 x 10–2 3.3 x 10–1 4.0 x 10–2 2.6 x 10–7
TETRAHYDROFURAN 109-99-9 72.106 43 300,000 66 541 7,074 7.1 x 10–5 1.5 x 10+2 2.0 x 10+0 1.9 x 10–6
TOLUENE 108-88-3 92.14 130 532 111 592 7,930 6.6 x 10–3 1.3 x 10–1 5.0 x 10+0
TRIBROMOMETHANE
75-25-2 252.73 130 3,050 149 696 9,479 5.4 x 10–4 8.9 x 10–3 1.1 x 10–6
(BROMOFORM)
TRICHLORO-1,2,2-
76-13-1 187.38 1200 170 48 487 6,463 5.3 x 10–1 1.2 x 10+1 3.0 x 10+1
TRIFLUOROETHANE, 1,1,2-
TRICHLOROBENZENE, 1,2,4- 120-82-1 181.45 1500 44 213 725 10,471 1.4 x 10–3 1.9 x 10–2 2.0 x 10–3
TRICHLOROBENZENE, 1,3,5- 108-70-3 181.45 3100 6 208 744 10,600 1.9 x 10–3 2.6 x 10–2 2.0 x 10–3
TRICHLOROETHANE, 1,1,1- 71-55-6 133.41 100 1,495 74 545 7,136 1.7 x 10–2 3.7 x 10–1 5.0 x 10+0
TRICHLOROETHANE, 1,1,2- 79–0-5 133.41 76 4,420 114 602 8,322 8.2 x 10–4 1.5 x 10–2 2.0 x 10–4 1.6 x 10–5
TRICHLOROETHYLENE (TCE) 79–1-6 131.39 93 1,100 87 544 7,505 9.9 x 10–3 2.0 x 10–1 2.0 x 10–3 4.0 x 10–6
TRICHLOROPROPANE, 1,2,3- 96-18-4 147.43 280 1,896 157 652 9,171 3.4 x 10–4 5.6 x 10–3 3.0 x 10–4
TRICHLOROPROPENE, 1,2,3- 96-19-5 145.42 190 2,700 142 623 8,585 1.8 x 10–2 3.0 x 10–1 3.0 x 10–4
TRIETHYLAMINE 121-44-8 101.19 51 55,000 90 536 8,095 1.5 x 10–4 2.8 x 10–3 7.0 x 10–3
TRIMETHYLBENZENE, 1,3,4-
95-63-6 120.2 2200 56 169 649 9,369 6.2 x 10–3 9.5 x 10–2 7.0 x 10–3
(TRIMETHYLBENZENE, 1,2,4-)
TRIMETHYLBENZENE, 1,3,5- * 108-67-8 120.2 660 49 165 637 9,321 8.8 x 10–3 1.4 x 10–1 7.0 x 10–3
VINYL ACETATE 108–5-4 86.09 2.8 20,000 73 519 7,800 5.1 x 10–4 1.0 x 10–2 2.0 x 10–1

VI Screening Methods –13–

DRAFT—FOR DISCUSSION PURPOSES ONLY 6/19/2014

MW Koc S TB TC Hv,b H H' RfCi

Regulated Substance CAS No.
(g/mol) (L/kg) (mg/L) (°C) (K) (cal/mol) 3
(atm-m /mol) (@ Tgw) (mg/m3) (g/m3)–1
VINYL BROMIDE (BROMOETHENE) 593-60-2 106.95 150 4,180 16 464 5,398 1.2 x 10–2 3.2 x 10–1 –3
3.0 x 10IUR 3.2 x 10–5
VINYL CHLORIDE 75–1-4 62.5 10 2,700 –13 432 5,250 2.8 x 10–2 7.5 x 10–1 1.0 x 10 –1
9.0 x 10–6
XYLENES (TOTAL) 1330-20-7 106.17 350 175 140 616 8,523 5.2 x 10–3 9.0 x 10–2 1.0 x 10–1

Notes to Table X-5.

* 1,3,5-trimethylbenzene does not have a RfCi value defined in Title 25 Pa. Code Ch. 250, Appendix A, Table 5A. The Department has selected 1,2,4-trimethylbenzene as
a surrogate chemical and assigns its RfCi as a conservative value.
Symbol Definition Source
MW molecular weight VISL Calculator (U.S. EPA, 2013b), or alternate
Koc organic carbon partition coefficient Title 25 Pa. Code Ch. 250, Appendix A, Table 5A
S aqueous solubility Title 25 Pa. Code Ch. 250, Appendix A, Table 5A
TB boiling point temperature Title 25 Pa. Code Ch. 250, Appendix A, Table 5A
TC critical temperature VISL Calculator (U.S. EPA, 2013b), or alternate
Hv,b enthalpy of vaporization at the normal boiling point VISL Calculator (U.S. EPA, 2013b), or alternate
H Henry’s law constant VISL Calculator (U.S. EPA, 2013b), or alternate
H′ Dimensionless Henry’s law constant Calculated using formula in the VISL Calculator (U.S. EPA, 2013b)
RfCi Inhalation reference concentration Title 25 Pa. Code Ch. 250, Appendix A, Table 5A
IUR Inhalation unit risk Title 25 Pa. Code Ch. 250, Appendix A, Table 5A
Alternate sources include:
• The U.S. National Institutes of Health online Hazardous Substances Data Bank (http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?HSDB)
• DEP’s Land Recycling Program online Chemical and Physical Properties Database
(http://www.depreportingservices.state.pa.us/ReportServer/Pages/ReportViewer.aspx?/CPP/Chemicals)
• EPA’s Johnson & Ettinger model (U.S. EPA, 2004)

VI Screening Methods –14–