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

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Substance:
Mike Rogers
Andreas Neymeyer
2-Methylnaphthalene
CAS Number: 91-57-6
Assessor A: Assessor B:
Andreas Neymeyer
Mike Rogers
Final review: Panel/SF
Chemical Formula:
C11H10
Phase at Ambient
Tempertaure
Solid
Date: 09/04/2009
Date: 16/04/2009
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
142.2
n/a
Little variation/consistently
reported as 142.2g/mol
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 Insert Values n/a Insert Values n/a Insert Values n/a Insert Values n/a 142.2 n/a Insert Values n/a 142.1971 n/a 142.2 n/a
n/a n/a n/a n/a 142.2 142.2 n/a n/a 142.1971 142.1971 n/a 142.2 142.2 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
5.10E+01
25
No consistent range - most
recent value
Geomean Insert Values 5.10E-02 5.10E+01 25 4.07E+01 25 3.83E+01 25 Insert Values 4.49E+01 25 5.25E+01 25
5.10E-02 51.0 40.5 40.5 3.18E-04 32.2 2.0 50.2 5.18E-04 52.5
50.3 50.3 4.50E-04 45.6 2.5 40.1
32.3 32.3
41.0 41.0
58.8 58.8
20.3 20.3
25
51.2 51.2
n/a
n/a
n/a
25
46.0 46.0
25
25
25
Solubility (S) 10 oC where
possible. (Use unit converter
if source provides different
units)
mg/L
n/a
2.50E+01
25
median value from
consistent range
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 Insert Values 2.50E+01 25 2.53E+01 25 Insert Values 2.42E+01 25 Insert Values 2.50E+01 25 2.46E+01 25
2.50E-02 25 24.6 24.6 24.6 24.6 24.6 24.6 24.6 24.6
25.4 25.4 25.4 25.4 25.4 25.4
20.0 20.0 27.3 27.3 24.6 24.6
24.1 24.1 20.0 20.0 25.4 25.4
25
25.0 25.0
25.6 25.6
25
25
25
25
25.1 25.1
32.6 32.6
25.0 25.0
27.3 27.3
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
5.14E+02
n/a
Median value chosen as
central value of consistent
range
Average Insert Values n/a 5.14E+02 n/a 5.14E+02 n/a 5.14E+02 n/a 5.14E+02 n/a Insert Values n/a 5.14E+02 n/a 5.14E+02 n/a
n/a 241 514 n/a 241 514 n/a 241 514.20 n/a 241 514.20 n/a n/a 514 514 n/a 241 514 n/a
n/a n/a 241 514 n/a n/a n/a n/a n/a n/a
n/a n/a 241 514 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
3.08E+02
n/a
Median value chosen as
central value of consistent
range
Average Insert Values n/a 3.08E+02 n/a 3.08E+02 n/a 3.08E+02 n/a 3.08E+02 n/a Insert Values n/a 3.07E+02 n/a 3.08E+02 n/a
n/a 34.6 308 n/a 34.6 308 n/a 34.6 308 n/a 34.6 308 n/a n/a 307 307 n/a 34.6 308 n/a
n/a n/a 34.0 307 n/a n/a n/a n/a n/a n/a
n/a n/a 35.0 308 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
4.00
n/a
No consistent range -
newest source (LIDE, 2008)
value chosen
Average Insert Values n/a 4.00E+00 n/a 3.88E+00 n/a Insert Values n/a 3.86E+00 n/a Insert Values n/a Insert Values n/a Insert Values n/a
n/a 4.00 4.00 n/a 3.86 3.86 n/a n/a 3.86 3.86 n/a n/a n/a n/a
n/a n/a 3.86 3.86 n/a n/a 3.86 3.86 n/a n/a n/a n/a
n/a n/a 4.10 4.10 n/a n/a n/a n/a n/a n/a
n/a n/a 3.86 3.86 n/a n/a n/a n/a n/a n/a
n/a n/a 3.90 3.90 n/a n/a n/a n/a n/a n/a
n/a n/a 3.70 3.70 n/a n/a n/a n/a n/a n/a
n/a n/a 3.86 3.86 n/a n/a n/a n/a n/a n/a
n/a n/a 3.91 3.91 n/a n/a n/a n/a n/a n/a
n/a n/a 3.87 3.87 n/a n/a n/a n/a n/a n/a
n/a n/a 3.92 3.92 n/a n/a n/a n/a n/a n/a
Molar Volume (Le
Bas method)
cm3 mol-1
n/a
1.70E+02
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
Average 1.70E+02 n/a
169.8 169.8 n/a
n/a
n/a
n/a
n/a
Enthalpy of Vaporisation at
normal boiling point (EVNBP)
J Mol-1
45950
4.60E+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 4.55E+04 Insert Values 4.53E+04
n/a
n/a
n/a
45.5 45500 n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
45.3 45310
Normal Boiling
Normal Boiling
Normal Boiling
Point
Point
Point
n/a
n/a
n/a
Chemical Critical Point
temperature
(ambient pressure)
Critical Pressure
K K Ref. Temp (C) o C K Ref. Temp (C) K K Ref. Temp (C) o C K Ref. Temp (C)
K 756
756.1
n/a
Calculated value chosen -
Average Insert Values n/a Insert Values n/a 7.62E+02 n/a Insert Values n/a
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 761 761 n/a n/a
of reported values
n/a n/a 761 761 n/a n/a
n/a n/a 765 765 n/a n/a
Bar Atmosph Ref. Temp (C) Bar Atmosph Ref. Temp (C)
Average 3.25E+01 Insert Values
Calculated value chosen -
32.9 32.5
atm
32.0 32.03 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 6.06E-03 10
Estimated from
parameters above
using Clapyron
relationship or
direct calculation
Vapour pressure at
ambient soil
temperature
Pa 3.41 10
Estimated
from
parameters
above using
Grain-Watson
method
Diffusion
coefficient in
air
m 2 .s -1 6.03E-06 10
Estimated
from
parameters
above using
Wilkie-Lee
method
Diffusion
coefficient in
water
m 2 .s -1 4.75E-10 10
Estimated
from
parameters
above using
Hayduk and
Laudie
method
Organic
carbon-water
partition
coefficient
Log cm 3 .g -1 3.34 n/a
Estimated
from
parameters
above using
equation in
Table 2.12 of
SR7
Page 1 of 1 EIC proforma 2-methylnaphthalene.xls 28/08/2009