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

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Substance: Chloroethane
CAS Number: 75-00-3
Assessor A: Jane Thrasher (Jacobs)
Assessor B: Andy Singleton (ESI)
Final review: Panel/SF
Chemical Formula: C2H5Cl
Phase at Ambient
Gas (volatile liquid at low temp)
Tempertaure
Date: 29-Apr-09
Date: 30-Apr-09
Date: 26-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 (C) Source Units SR7 Units Ref. Temp (C) Source Units SR7 Units Ref. Temp (C) Source Units SR7 Units Ref. Temp (C) Source Units SR7 Units Ref. Temp (C) Source Units SR7 Units Ref. Temp (C)
Required Parameters
Relative Molecular Mass g mol -1
n/a
64.51 n/a Agreed literature value
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
Average 64.52 n/a 64.514 n/a 64.514 n/a 64.51 n/a #VALUE! n/a #VALUE! n/a 64.5138 n/a Insert Values n/a
64.52 64.52 n/a 64.514 64.514 n/a 64.514 64.514 n/a 64.51 64.51 n/a No data #VALUE! n/a No data #VALUE! n/a 64.5138 64.5138 n/a n/a
Ref. Temp (C)
Henry's Law Constant (HLC) Pa m3 mol-1
n/a 1.02E+03 25
no consistent range -
most recent value
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 8.59E+02 25 1.02E+03 25 1.03E+03 25 1.17E+03 #VALUE! 8.72E+02 n/a 9.93E+02
8.48E-03 8.59E+02 1.02E+00 1.02E+03 2.50E+01 8.60E+02 860 1.11E-02 1124.7075 25 No data #VALUE! 8.40E-02 1.19E+03 8.82E-03 893.6865 24.8
1140 1140 0.0121 1226.0325 25 0.14 7.16E+02 0.0109 1104.4425 25
1145 1145 0.08 1.25E+03
1125 1125 0.089 1.13E+03
25
1226 1226 n/a
n/a
n/a 0.00958 970.6935 15 0.068 1.48E+03
25
1270 1270 0.011 1114.575 20 0.51 1.97E+02
n/a
942 942 0.00958 970.6935 15 0.088 1.14E+03
701 701 0.0093 942.3225 unspecified 0.12 8.36E+02
1019 1019 0.00759 769.05675 10
0.0143 1448.9475 30
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)
Solubility (S) 10 oC where
possible. (Use unit
converter if source provides
different units)
mg/L n/a 5.74E+03 10
Value chosen at 10
degrees
Geomean 5.71E+03 20 Insert Values 5.74E+03 10 5.74E+03 20 5.71E+03 #VALUE! Insert Values 5.29E+03
5.71E+03 5.71E+03 5.74E+03 5.74E+03 5.74E+03 5.74E+03 5710 5.71E+03 20 No data #VALUE! 4.50E+03 4.50E+03 20
5800 5.80E+03 20
5680 5.68E+03 20
20
10
20
4.50E+00 4500 0.00E+00 3.33E+03 3.33E+03 0 4550 4.55E+03 0
6.7 6700 25 4500 4.50E+03 0 4470 4.47E+03 0
o C K Ref. Temp (C)
o C K Ref. Temp (C)
o C K Ref. Temp (C)
o C K Ref. Temp (C)
o C K Ref. Temp (C)
o C K Ref. Temp (C) K K Ref. Temp (C)
o C K Ref. Temp (C)
Chemical Boiling Point
(ambient pressure)
K
n/a
2.85E+02
n/a
Consensus value
Average 2.85E+02 n/a 2.85E+02 n/a 2.85E+02 n/a 2.85E+02 n/a 2.85E+02 n/a #VALUE! n/a 2.89E+02 n/a 2.85E+02 n/a
12.3 285.45 n/a 12.3 285.45 n/a 12.3 285.45 n/a 12.3 285.45 n/a 12.3 285.45 n/a No data #VALUE! n/a 289 289.00 n/a 12.3 285.45 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
Chemical Melting Point
(ambient pressure)
K
n/a
1.35E+02
n/a
Median value from
consistent range of
average values associated
with individual references
o C K Ref. Temp (C)
o C K Ref. Temp (C)
o C K Ref. Temp (C)
o C K Ref. Temp (C)
o C K Ref. Temp (C)
o C K Ref. Temp (C) K K Ref. Temp (C)
o C K Ref. Temp (C)
Average 1.34E+02 n/a 1.35E+02 n/a 1.35E+02 n/a 1.34E+02 n/a 1.35E+02 n/a #VALUE! n/a 1.35E+02 n/a 1.35E+02 n/a
-138.7 134.45 n/a -138.4 134.75 n/a -138.4 134.75 n/a -138.7 134.45 n/a -136.4 136.75 n/a No data #VALUE! n/a 132.3 132.30 n/a -138.3 134.85 n/a
n/a n/a n/a n/a -139 134.15 n/a n/a 136.75 136.75 n/a -136.4 136.75 n/a
n/a n/a n/a n/a n/a n/a 137 137.00 n/a -139 134.15 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
1.44
n/a
Median value from
consistent range of
average values associated
with individual references
Average 1.43E+00 n/a 1.43E+00 n/a 1.44E+00 n/a Insert Values n/a 1.49E+00 n/a Insert Values n/a Insert Values n/a 1.45E+00 n/a
1.43 1.43 n/a 1.43 1.43 n/a 1.54 1.54 n/a no data no data n/a 1.43 1.43 n/a No data No data n/a n/a 1.38 1.38 n/a
n/a n/a 1.39 1.39 n/a n/a 1.54 1.54 n/a n/a n/a 1.52 1.52 n/a
n/a n/a 1.43 1.43 n/a n/a n/a n/a n/a n/a
n/a n/a 1.43 1.43 n/a n/a n/a n/a n/a n/a
n/a n/a 1.43 1.43 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
7.27E+01
n/a
Single 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 7.27E+01 n/a
72.7 72.70 n/a
Enthalpy of Vaporisation at
normal boiling point
(EVNBP)
J Mol-1
24650.34574
2.47E+04
Normal
Chemical
Boiling Point
Calculated value chosen -
this is consistent 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 2.47E+04 2.47E+04 2.47E+04
n/a
n/a
n/a 24.65 24650 24.652 24652 n/a n/a n/a n/a n/a
n/a
n/a
n/a
n/a 24.652 24652 285.42
Normal
Normal Boiling
24.83 24830 294
Boiling
Point
Point
n/a
n/a
n/a
Chemical Critical Point
temperature
(ambient pressure)
Critical Pressure
K 459.7656709 459.8
atm
n/a
Calculated value chosen -
this is consistent to range
of reported values
K K Ref. Temp (C)
o C K Ref. Temp (C) K K Ref. Temp (C)
o C K Ref. Temp (C)
Average 4.60E+02 n/a 4.60E+02 n/a 4.60E+02 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
460.4 460.40 n/a 187.2 460.35 n/a 460.3 460.30 n/a n/a
n/a n/a n/a n/a
n/a n/a n/a n/a
Bar Atmosph Ref. Temp (C) Bar Atmosph Ref. Temp (C)
Average 5.23E+01 5.17E+01
Calculated value chosen -
53 52.30693314 52.4053 51.72000987
51.98243991 51.98
this is consistent to range
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
of reported values
Calcuated parameters for input to CLEA model (UPDATED FROM THE SPREADSHEET TOOL)
Property Units Calculated Value Ref. Temp (C) Rationale Property Units
Calculated
Value
Ref. Temp (C) Rationale Property Units
Calculated
Value
Ref. Temp (C) Rationale Property Units
Calculated
Value
Ref. Temp (C) Rationale Property Units
Calculated
Value
Ref. Temp (C)
Rationale
Air-water partition
coefficient at ambient soil
temperature
cm 3 .cm -3 4.451E-01 10
Estimated from
parameters
above using
Clapyron
relationship or
direct calculation
Vapour pressure at
ambient soil
temperature
Pa 93271.64765 10
Estimated
from
parameters
above using
Grain-Watson
method
Diffusion
coefficient in
air
m 2 .s -1 1.05E-05 10
Estimated
from
parameters
above using
Wilkie-Lee
method
Diffusion
coefficient in
water
m 2 .s -1 7.83E-10 10
Estimated
from
parameters
above using
Hayduk and
Laudie
method
Organic
carbon-water
partition
coefficient
Log cm 3 .g -1 1.27 n/a
Estimated
from
parameters
above using
equation in
Table 2.12 of
SR7
Page 1 of 1 EIC proforma chloroethane.xls 26/08/2009