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

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Substance: Dichloromethane
CAS Number: 75-09-2
Assessor A: Claire Potter
Assessor B: Catherine Helm WD Final Review Panel/SF
Chemical Formula: CH2CL2
Phase at Ambient
Liquid
Tempertaure
Date: 01-Apr-09
Date: 01/06/2009
Date: 28/08/2009
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
84.93
n/a
Median value from
consistent (high) range of
literature values
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 84.94 n/a 84.933 n/a 84.933 n/a 84.93 n/a 84.93 n/a Insert Values n/a 84.93 n/a 84.93 n/a
84.94 84.94 n/a 84.933 84.933 n/a 84.933 84.933 n/a 84.93 84.93 n/a 84.93 84.93 n/a n/a 84.93 84.93 n/a 84.93 84.93 n/a
Median = 264 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)
Henry's Law Constant (HLC)
Solubility (S) 10 oC where
possible. (Use unit
converter if source provides
different units)
Pa m3 mol-1
mg/L
n/a
n/a
3.00E+02
2.01E+04
25
10
Min = 241 (-14%) Geomean 2.72E+02 25 3.00E+02 25 2.74E+02 25 2.56E+02 25 Insert Values 25 2.41E+02 25 2.28E+02 25
Max = 300 (+14%) 2.68E-03 2.72E+02 3.00E-01 3.00E+02 2.31E+02 231.3 2.00E-03 202.65 4.16E-01 2.41E+02 227.9
therefore not a consistent
301 301 3.19E-03 323.22675
range
322.3 322.3
Adopted value is that
from the newest source
(Lide 2008), which is the
max value in range
newest value in
inconsistant range of
values provided in
Mackay 2006 (also
median value of five
values in range obtained
Mackay and IUPAC-NIST)
25
25
292 292
271.5 271.5
295 295
205.7 205.7
303.9 303.9
222 222
323 323
25
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 1.30E+04 25 1.76E+04 25 1.94E+04 10 Insert Values 1.59E+04 Insert Values 1.86E+04 10 1.62E+04 20
1.30E+04 1.30E+04 1.76E+01 17600 Date 1.30E+04 1.30E+04 1.86E+04 1.86E+04 1.32E+04 1.32E+04
2.12E+04 2.12E+04 1906 19400 1.94E+04 20000 2.00E+04
20800 2.08E+04 1978
15938 1.59E+04 1982
20080 2.01E+04 1992
n/a
n/a
n/a
25
25
25 (geomean
of 21 values
ranging
between 0.31
and 1.2)
Based on a
curve from a
data set of 25
25
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
3.13E+02
n/a
Median value from
consistent (high) range of
literature values
Average 3.13E+02 n/a 3.13E+02 n/a 3.13E+02 n/a 3.13E+02 n/a 3.13E+02 n/a Insert Values n/a 3.13E+02 n/a 3.13E+02 n/a
39.75 312.90 n/a 40 313.15 n/a 40 313.15 n/a 39.75 312.90 n/a 39.75 312.90 n/a n/a 312 312.00 n/a 39.75 312.90 n/a
n/a n/a n/a n/a 40.6 313.75 n/a n/a 314 314.00 n/a 40.1 313.25 n/a
n/a n/a n/a n/a n/a n/a n/a n/a
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 Melting Point
(ambient pressure)
K
n/a
1.78E+02
n/a
Median value from
consistent (high) range of
literature values
Average 1.78E+02 n/a 1.76E+02 n/a 1.78E+02 n/a 1.78E+02 n/a 1.77E+02 n/a Insert Values n/a 1.77E+02 n/a Insert Values n/a
-95.1 178.05 n/a -97.2 175.95 n/a -95.2 177.95 n/a -95 178.15 n/a -94.92 178.23 n/a n/a 176 176.00 n/a n/a
n/a n/a n/a n/a -96.7 176.45 n/a n/a 177 177.00 n/a n/a
n/a n/a n/a n/a n/a n/a 176.65 176.65 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
1.28
n/a
Median value from
consistent (medium)
range of literature values
Average 1.25E+00 n/a 1.25E+00 n/a 1.28E+00 n/a Insert Values n/a 1.30E+00 n/a Insert Values n/a Insert Values n/a 1.28E+00 n/a
1.25 1.25 n/a 1.25 1.25 n/a 1.25 1.25 n/a n/a 1.25 1.25 n/a n/a n/a 1.25 1.25 n/a
n/a n/a 1.51 1.51 n/a n/a 1.35 1.35 n/a n/a n/a 1.3 1.30 n/a
n/a n/a 1.22 1.22 n/a n/a 1.31 1.31 n/a n/a n/a n/a
n/a n/a 1.25 1.25 n/a n/a n/a n/a n/a n/a
n/a n/a 1.25 1.25 n/a n/a n/a n/a n/a n/a
n/a n/a 1.25 1.25 n/a n/a n/a n/a n/a n/a
n/a n/a 1.25 1.25 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
7.14E+01
n/a
Single literature value
available
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
Average 7.14E+01 n/a
71.4 71.40 n/a
n/a
n/a
Enthalpy of Vaporisation at
normal boiling point
(EVNBP)
J Mol-1
27878.8315
2.79E+04
Calculated Value KJ mol-1 J Mol-1 KJ mol-1 J Mol-1 KJ mol-1 J Mol-1 Ref. Temp (C)
Normal (below minimum in range Average 2.81E+04 2.88E+04 2.85E+04
Chemical (low consistency) of
n/a
n/a
n/a
28.06 28060 28.56 28560 n/a n/a n/a
n/a
n/a
n/a
n/a
n/a
n/a 27.98 27980
Normal
Normal
Normal
Boiling Point literature values)
28.98 28980 28.92 28920
Boiling
Boiling
Boiling
Point
Point
Point
n/a
n/a
n/a
Calculated Value K K Ref. Temp (C)
o C K Ref. Temp (C) K K Ref. Temp (C)
o C K Ref. Temp (C)
Chemical Critical Point
(below minimum in range Average 5.10E+02 n/a Insert Values n/a 5.09E+02 n/a Insert Values n/a
temperature
K
506.4036603 5.06E+02
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
(low consistency) of
510 510.00 n/a n/a 508 508.00 n/a n/a
(ambient pressure)
literature values)
n/a n/a 510 510.00 n/a n/a
n/a n/a n/a n/a
Calculated Value Bar Atmosph Ref. Temp (C) Bar Atmosph Ref. Temp (C)
(below minimum in range Average 6.02E+01 6.27E+01
(low consistency) of
61 60.20231927 63.55 62.7189736
Critical Pressure atm 58.29705069 5.83E+01 Not stated literature 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 n/a n/a
n/a n/a n/a
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 5.636E-02 10
Estimated from
parameters
above using
Clapyron
relationship or
direct calculation
Vapour pressure at
ambient soil
temperature
Pa 31370.90089 10
Estimated
from
parameters
above using
Grain-Watson
method
Diffusion
coefficient in
air
m 2 .s -1 9.97E-06 10
Estimated
from
parameters
above using
Wilkie-Lee
method
Diffusion
coefficient in
water
m 2 .s -1 7.91E-10 10
Estimated
from
parameters
above using
Hayduk and
Laudie
method
Organic
carbon-water
partition
coefficient
Log cm 3 .g -1 1.14 n/a
Estimated
from
parameters
above using
equation in
Table 2.12 of
SR7
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EIC Proforma dichloromethane.xls28/08/2009