Soil Generic Assessment Criteria for Human Health Risk ... - ESdat

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Substance: 1,1-Dichloroethene
CAS Number: 75-35-4
Assessor A: Jennifer Stothert, Entec Assessor B: Cheryl Davies, Delta-Simons Final Review: Panel/SF
Chemical Formula: C
Phase at Ambient
2H 2Cl 2 (CH 2=CCl 2)
Liquid
Tempertaure
Date: 11-Mar-09
Date: 16-Apr-09
Date: 25-Aug-09
http://srdata.nist.gov/solubility/
http://webbook.nist.gov/chemistry/ http://cs3-hq.oecd.org/scripts/hpv/
A
B
C
D
E
F
G
H
Property Units Calculated Value Adopted Value Ref. Temp (C) Rationale
References
HOWARD, 1990
LIDE, 2008
MACKAY et al, 2006 MERCK, 2006
MONTGOMERY, 2007
MONTGOMERY, 1997
NIST, 2005
OECD, 2000
Source Units SR7 Units Ref. Temp (C) Source Units SR7 Units Ref. Temp (C) Source Units SR7 Units
Ref. Temp
Ref. Temp
Ref. Temp
Ref. Temp
Ref. Temp
Ref. Temp
Source Units SR7 Units
Source Units SR7 Units
Source Units SR7 Units
Source Units SR7 Units
Source Units SR7 Units
(C)
(C)
(C)
(C)
(C)
(C)
Required Parameters
Relative Molecular Mass g mol -1
Henry's Law Constant
(HLC)
Solubility (S) 10 oC where
possible. (Use unit
converter if source provides
different units)
Pa m3 mol-1
n/a
n/a
96.9427
2.62E+03
n/a
mg/L n/a 3.10E+03 5
25
Median value chosen as
central value of
consistent range
No consistent range -
median value from most
recent review chosen
(Lide 2008)
No consistent range -
median value from most
recent review chosen
(Lide 2008)
g mol -1 g mol -1
Ref. Temp (C)
g mol -1 g mol -1
Ref. Temp (C)
g mol -1 g mol -1
Ref. Temp (C)
g mol -1 g mol -1
Ref. Temp (C)
g mol -1 g mol -1
Ref. Temp (C)
g mol -1 g mol -1
Ref. Temp (C)
g mol -1 g mol -1
Ref. Temp (C)
g mol -1 g mol -1
Ref. Temp (C)
Average 96.950 n/a 96.943 n/a 96.943 n/a 96.940 n/a 96.940 n/a Insert Values n/a 96.9427 n/a 96.940 n/a
96.950 96.950 n/a 96.943 96.943 n/a 96.943 96.943 n/a 96.940 96.940 n/a 96.940 96.940 n/a n/a 96.9427 96.9427 n/a 96.940 96.940 n/a
atm m3 mol-1 Pa m3 mol-1 Ref. Temp (C) KPa m3 mol-1 Pa m3 mol-1 Ref. Temp (C) Pa m3 mol-1 Pa m3 mol-1 Ref. Temp (C) n/a n/a n/a atm m3 mol-1 Pa m3 mol-1 Ref. Temp (C) atm m3 mol-1 Pa m3 mol-1 Ref. Temp (C) mol kg-1 bar-1 Pa m3 mol-1 Ref. Temp (C) atm m3 mol-1 Pa m3 mol-1 Ref. Temp (C)
Geomean 3.05E+03 25 2.62E+03 25 2.82E+03 25 2.50E+03 25 Insert Values 25 3.40E+03 25 2.32E+04 20
3.01E-02 3.05E+03 2.62E+00 2.62E+03 3.73E+03 3729 1.50E-02 1519.875 3.40E-02 2.95E+03 2.29E-01 23200
3127 3127 2.56E-02 2593.92 0.037 2.71E+03
2649 2649 2.59E-02 2624.3175 0.043 2.33E+03
2645 2645 0.0229 2320.3425 0.034 2.95E+03
25
25
1520 1520
25
n/a
n/a
n/a 0.0374 3789.555
25
25
0.037 2.71E+03
25
20
7529 7529 0.0266 2695.245 0.039 2.57E+03
2624 2624 0.065 1.54E+03
2316 2316 0.027 3.71E+03
2320 2320 0.0076 1.32E+04
2376 2376 0.014 7.16E+03
mg/L mg/L Ref. Temp (C) g/L mg/L Ref. Temp (C) mg/L mg/L Ref. Temp (C) mg/L mg/L Ref. Temp (C) mg/L mg/L Ref. Temp (C) mg/L mg/L Ref. Temp (C) mg/L mg/L Ref. Temp (C) mg/L mg/L Ref. Temp (C)
Geomean 2.50E+03 25 3.10E+03 5 9.12E+02 25 #VALUE! 6.30E+02 Insert Values 2.89E+02 2.50E+03 25
2.50E+03 2.50E+03 3.10E+00 3100 4.00E+02 4.00E+02 Prac. Insol. #VALUE! 6.30E+02 6.30E+02 2.89E+02 2.89E+02 2.50E+03 2.50E+03
400 4.00E+02
2250 2.25E+03
350 3.50E+02
25
5
2640 2.64E+03
25
10
10
25
210 2.10E+02
2843 2.84E+03
2420 2.42E+03
Chemical Boiling Point
(ambient pressure)
K
n/a
3.05E+02
n/a
Median value chosen as
central value of
consistent range
o C
o K Ref. Temp (C) o C
o K Ref. Temp (C) o C
o K Ref. Temp (C) o C
o K Ref. Temp (C) o C
o K Ref. Temp (C) o C
o K Ref. Temp (C) o K
o K Ref. Temp (C) o C
o K Ref. Temp (C)
Average 3.05E+02 n/a 3.05E+02 n/a 3.05E+02 n/a 3.05E+02 n/a 3.05E+02 n/a Insert Values n/a 3.04E+02 n/a 3.05E+02 n/a
31.7 304.85 n/a 31.6 304.75 n/a 31.6 304.75 n/a 31.7 304.85 n/a 31.6 304.71 n/a n/a 304 304.20 n/a 32 305.15 n/a
n/a n/a n/a n/a n/a n/a 305 304.55 n/a n/a
n/a n/a n/a n/a n/a n/a 305 304.70 n/a n/a
Chemical Melting Point
(ambient pressure)
K
n/a
151
n/a
Median value chosen as
central value of
consistent range
o C
o K Ref. Temp (C) o C
o K Ref. Temp (C) o C
o K Ref. Temp (C) o C
o K Ref. Temp (C) o C
o K Ref. Temp (C) o C
o K Ref. Temp (C) o K
o K Ref. Temp (C) o C
o K Ref. Temp (C)
Average 1.51E+02 n/a 1.51E+02 n/a 1.51E+02 n/a 1.51E+02 n/a 1.51E+02 n/a Insert Values n/a Insert Values n/a 1.51E+02 n/a
-123 150.65 n/a -123 150.59 n/a -123 150.59 n/a -123 150.65 n/a -122 151.05 n/a n/a n/a -122 151.15 n/a
n/a n/a n/a n/a n/a n/a n/a n/a
n/a n/a n/a n/a n/a n/a n/a n/a
Dimensionless Dimensionless Ref. Temp (C) Dimensionless Dimensionless Ref. Temp (C) Dimensionless Dimensionless Ref. Temp (C) Dimensionless Dimensionless Ref. Temp (C) Dimensionless Dimensionless Ref. Temp (C) Dimensionless Dimensionless Ref. Temp (C) Dimensionless Dimensionless Ref. Temp (C) Dimensionless Dimensionless Ref. Temp (C)
Log Octanol - Water
Coefficient
Dimensionless
n/a
2.13
n/a
No consistent range -
median value from most
recent review chosen
(Lide 2008)
Average 2.13E+00 n/a 2.13E+00 n/a 2.13E+00 n/a Insert Values n/a 2.13E+00 n/a Insert Values n/a Insert Values n/a 1.32E+00 n/a
2.13 2.13 n/a 2.13 2.13 n/a 2.13 2.13 n/a n/a 2.13 2.13 n/a n/a n/a 1.32 1.32 n/a
n/a n/a 2.13 2.13 n/a n/a n/a n/a n/a n/a
n/a n/a 2.13 2.13 n/a n/a n/a n/a n/a n/a
n/a n/a n/a n/a n/a n/a n/a n/a
n/a n/a n/a n/a n/a n/a n/a n/a
n/a n/a n/a n/a n/a n/a n/a n/a
n/a n/a n/a n/a n/a n/a n/a n/a
n/a n/a n/a n/a n/a n/a n/a n/a
n/a n/a n/a n/a n/a n/a n/a n/a
n/a n/a n/a n/a n/a n/a n/a n/a
Molar Volume
(Le Bas method)
cm3 mol-1
n/a
86.2 n/a
single literature value
cm3 mol-1 cm3 mol-1 Ref. Temp (C)
n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
n/a n/a n/a n/a n/a n/a n/a n/a
n/a
Average 8.62E+01 n/a
86.2 86.20 n/a
Enthalpy of Vaporisation at
normal boiling point
(EVNBP)
J Mol-1
28397.74647
2.84E+04
Normal
Chemical
Boiling Point
Calculated value chosen -
this is similar to range of
reported values
KJ mol-1 J Mol-1 KJ mol-1 J Mol-1 KJ mol-1 J Mol-1 Ref. Temp (C)
Average 2.61E+04 2.73E+04 2.63E+04
n/a
n/a
n/a
26.1 26140 26.5 26490 n/a n/a n/a
n/a
n/a
n/a
n/a
n/a
n/a 26.1 26140
Normal
Normal
28.2 28180 26.5 26476
Boiling
Boiling
Point
Point
Normal
Boiling
Point
n/a
n/a
n/a
Chemical Critical Point
temperature
(ambient pressure)
K
494.5544102
4.95E+02
n/a
Calculated value chosen -
this is similar to range of
reported values
o K
o K Ref. Temp (C) o C
o K Ref. Temp (C) o K
o K Ref. Temp (C) o C
Average
n/a n/a n/a
Insert Values n/a
n/a n/a n/a
Insert Values n/a
n/a
n/a
n/a
n/a
n/a n/a
Insert Values n/a Insert Values n/a
n/a n/a n/a n/a
n/a n/a n/a n/a
n/a n/a n/a n/a
o K
Ref. Temp (C)
Bar Atmosph Ref. Temp (C) Bar Atmosph Ref. Temp (C)
Critical Pressure
atm
69.85934838
6.99E+01
Calculated value chosen -
this is similar to range of
reported values
Average Insert Values Insert Values Calc
n/a n/a n/a n/a n/a n/a
n/a n/a n/a
n/a n/a n/a
n/a n/a n/a
n/a n/a n/a
Calc
Calcuated parameters for input to CLEA model (UPDATED FROM THE SPREADSHEET TOOL)
Property Units Calculated Value Ref. Temp (C) Rationale Property Units
Air-water partition
coefficient at ambient soil
temperature
cm 3 .cm -3 5.930E-01 n/a
Estimated from
parameters
above using
Clapyron
relationship or
direct calculation
Vapour pressure at
ambient soil
temperature
Calculated
Value
Pa 41982.632 10
Ref. Temp (C) Rationale Property Units
Estimated
from
parameters
above using
Grain-
Watson
method
Diffusion
coefficient in
air
Calculated
Value
Ref. Temp
(C)
m 2 .s -1 9.18E-06 10
Rationale Property Units
Estimated
from
parameters
above using
Wilkie-Lee
method
Diffusion
coefficient in
water
Calculated
Value
Ref. Temp
(C)
m 2 .s -1 7.08E-10 10
Rationale Property Units
Estimated
from
parameters
above using
Hayduk and
Laudie
method
Organic
carbon-water
partition
coefficient
Calculated
Value
Ref. Temp
(C)
Log cm 3 .g -1 1.83 n/a
Rationale
Estimated
from
parameters
above using
equation in
Table 2.12 of
SR7
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