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

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Substance: Chloromethane
CAS Number: 74-87-3
Assessor A: A. Fellows - Ecologia Assessor B: D. Dyson - URS
Final review: Panel/SF
Chemical Formula: CH3-Cl
Phase at Ambient
Gas
Tempertaure
Date: 27.05.09
Date: 26-Mar-09
Date: 09/09/2009
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
50.488
n/a
Median value chosen as
central value of
consistent range
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 50.49 n/a 50.488 n/a 50.488 n/a 50.49 n/a 50.48 n/a Insert Values n/a 50.487 n/a Insert Values n/a
50.49 50.49 n/a 50.488 50.488 n/a 50.488 50.488 n/a 50.49 50.49 n/a 50.48 50.48 n/a n/a 50.487 50.487 n/a 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)
Henry's Law Constant (HLC)
Pa m3 mol-1
n/a
9.80E+02
25
No consistent range -
value from most recent
review chosen (Lide 2008)
Geomean 2.43E+03 20 9.80E+02 25 9.09E+02 25 8.78E+02 25 Insert Values 25 1.03E+03 25 Insert Values 25
2.40E-02 2.43E+03 9.80E-01 9.80E+02 9.57E+02 957 1.00E-02 1013.25 9.40E-02 1.07E+03
1010 1010 8.33E-03 844.03725 0.12 8.36E+02
744 744 1.06E-02 1078.098 0.12 8.36E+02
892 892 9.41E-03 953.46825 0.029 3.46E+03
942 942 6.60E-03 668.745 0.11 9.12E+02
951 951 0.00769 779.18925 0.099 1.01E+03
950 950 0.11 9.12E+02
20
25
894 894 n/a
n/a
n/a
0.12 8.36E+02
25
25
25
867 867 0.1 1.00E+03
25
25
0.1 1.00E+03
0.13 7.72E+02
Solubility (S) 10 oC where
possible. (Use unit
converter if source provides
different units)
mg/L
n/a
5.35E+03
25
No consistent range -
value from most recent
review chosen (Lide 2008)
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 6.48E+03 25 5.35E+03 25 5.21E+03 25 4.80E+03 25 5.65E+03 25 Insert Values Insert Values Insert Values
6.48E+03 6.48E+03 5.35E+00 5350 5.35E+03 5.35E+03 4.80E+03 4.80E+03 5.35E+03 5.35E+03
5380 5.38E+03 7400 7.40E+03
5325 5.33E+03 5350 5.35E+03
4800 4.80E+03 4800 4.80E+03
25
25
25
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
2.49E+02
n/a
Median value chosen as
central value of
consistent range
Average 2.49E+02 n/a 2.49E+02 n/a 2.49E+02 n/a 2.49E+02 n/a 2.49E+02 n/a Insert Values n/a 2.47E+02 n/a Insert Values n/a
-23.7 249.45 n/a -24.09 249.06 n/a -24.09 249.06 n/a -23.7 249.45 n/a -24.22 248.93 n/a n/a 247 247.00 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
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
1.76E+02
n/a
Median value chosen as
central value of
consistent range
Average 1.76E+02 n/a 1.75E+02 n/a 1.76E+02 n/a 1.75E+02 n/a 1.76E+02 n/a Insert Values n/a 1.78E+02 n/a Insert Values n/a
-97 176.15 n/a -97.7 175.45 n/a -97 176.15 n/a -97.7 175.45 n/a -97.1 176.05 n/a n/a 182 182.00 n/a n/a
n/a n/a n/a n/a n/a n/a 175.53 175.53 n/a n/a
n/a n/a n/a n/a n/a n/a 176.5 176.50 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
9.10E-01
n/a
Median value chosen as
central value of
consistent range
Average 9.10E-01 n/a 9.10E-01 n/a 9.11E-01 n/a Insert Values n/a 9.10E-01 n/a Insert Values n/a Insert Values n/a Insert Values n/a
0.91 0.91 n/a 0.91 0.91 n/a 0.91 0.91 n/a n/a 0.91 0.91 n/a n/a n/a n/a
n/a n/a 0.91 0.91 n/a n/a n/a n/a n/a n/a
n/a n/a 0.89 0.89 n/a n/a n/a n/a n/a n/a
n/a n/a 0.936 0.94 n/a n/a n/a n/a n/a n/a
n/a n/a 0.91 0.91 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
5.05E+01
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
Average 5.05E+01 n/a
50.5 50.50 n/a
n/a
n/a n/a n/a
n/a
n/a
Enthalpy of Vaporisation at
normal boiling point
(EVNBP)
J Mol-1
21727.26216
2.17E+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 2.14E+04 2.01E+04 2.05E+04
n/a
n/a
n/a
21.4 21400 19.06 19060 n/a n/a n/a
n/a
n/a
n/a
n/a
n/a
n/a 20.5 20500
Normal
Normal
Normal
21.45 21450
Boiling
Boiling
Boiling
18.32 18320
Point
Point
Point
21.4 21400
n/a
n/a
n/a
o 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
temperature
(ambient pressure)
K 413.3541089 413
n/a
Calculated value chosen -
this is consistent to range
of reported values
Average 4.16E+02 n/a #VALUE! n/a 4.16E+02 n/a #VALUE! 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
416.25 416.25 n/a no data #VALUE! n/a 416 416.00 n/a no data #VALUE! 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)
Critical Pressure
atm
64.17385535
64.2
Calculated value chosen -
this is consistent to range
of reported values
Average 6.59E+01 6.78E+01
66.79 65.91660498 67.144 66.26597582
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 66.7924 65.9189736
66.8 65.92647422
74 73.03232174
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 2.71E-01 10
Estimated from
parameters
above using
Clapyron
relationship or
direct calculation
Vapour pressure at
ambient soil
temperature
Pa 330531 10
Estimated
from
parameters
above using
Grain-Watson
method
Diffusion
coefficient in
air
m 2 .s -1 1.28E-05 10
Estimated
from
parameters
above using
Wilkie-Lee
method
Diffusion
coefficient in
water
m 2 .s -1 9.70E-10 10
Estimated
from
parameters
above using
Hayduk and
Laudie
method
Organic
carbon-water
partition
coefficient
Log cm 3 .g -1 0.84 n/a
Estimated
from
parameters
above using
equation in
Table 2.12 of
SR7
Page 1 of 1 EIC proforma chloromethane 09/09/2009