Soil Generic Assessment Criteria for Human Health Risk ... - ESdat
Soil Generic Assessment Criteria for Human Health Risk ... - ESdat Soil Generic Assessment Criteria for Human Health Risk ... - ESdat
www.esdat.net Esdat Environmental Database Management Software +61 2 8875 7948 Substance: 1-Methylnaphthalene CAS Number: 90-12-0 Assessor A: Mike Rogers Assessor B: Andreas Neymeyer Final review: Panel/SF Andreas Neymeyer Mike Rogers Chemical Formula: C11H10 Phase at Ambient Tempertaure Liquid 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 142.20 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 124.2 n/a Insert Values n/a Insert Values n/a Insert Values n/a Insert Values n/a 142.1971 n/a Insert Values n/a n/a 124.2 124.2 n/a n/a n/a n/a n/a 142.1971 142.1971 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 4.15E+01 25 No consistent range - most recent value Geomean Insert Values 4.15E+01 25 3.25E+01 25 3.20E+01 25 Insert Values 3.47E+01 25 Insert Values 0.042 41.5 26.3 26.3 2.57E-04 26.0 2.7 37.1 44.2 44.2 2.39E-04 24.2 2.3 43.6 45.0 45.0 5.12E-04 51.9 3.9 25.7 26.3 26.3 16.0 16.0 27.2 27.2 25 62.4 62.4 n/a n/a n/a 25 24.3 24.3 25 25 44.9 44.9 Solubility (S) 10 oC where possible. (Use unit converter if source provides different units) mg/L n/a 2.05E+01 10 Solubility at assumed UK soil average temperature 10°C 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 2.80E+01 25 2.77E+01 25 Insert Values Insert Values Insert Values 2.05E+01 10 Insert Values 2.80E-02 28 25.8 25.8 20.5 20.5 28.5 28.5 24.9 24.9 29.5 29.5 25 30.4 30.4 26.9 26.9 25 10 27.7 27.7 31.7 31.7 28.0 28.0 24.2 24.2 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 5.17E+02 n/a Median value chosen as central value of consistent range Average Insert Values n/a 5.18E+02 n/a 5.16E+02 n/a Insert Values n/a Insert Values n/a Insert Values n/a 5.15E+02 n/a 5.18E+02 n/a n/a 244.6 517.75 n/a 245 518 n/a n/a n/a n/a 515 515 n/a 245 518 n/a n/a 244.8 517.90 n/a 240 513 n/a n/a n/a n/a n/a n/a n/a n/a 245 518 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 2.47E+02 n/a Median value chosen as central value of consistent range Average Insert Values n/a 2.47E+02 n/a 2.47E+02 n/a Insert Values n/a Insert Values n/a Insert Values n/a 2.44E+02 n/a 2.51E+02 n/a n/a -22.0 251 n/a -22.0 251 n/a n/a n/a n/a 244 244 n/a -22 251 n/a n/a -30.5 243 n/a -25.0 248 n/a n/a n/a n/a n/a n/a n/a n/a -30.5 243 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 3.87 n/a no consistent range - newest source (Montgomery, 2007) value chosen Average Insert Values n/a Insert Values n/a 4.01E+00 n/a Insert Values n/a 3.87E+00 n/a Insert Values n/a Insert Values n/a 3.87E+00 n/a n/a n/a 3.87 3.87 n/a n/a 3.87 3.87 n/a n/a n/a 3.87 3.87 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 3.95 3.95 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 3.87 3.87 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 n/a n/a 5.08 5.08 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 Molar Volume (Le Bas method) Enthalpy of Vaporisation at normal boiling point (EVNBP) Chemical Critical Point temperature (ambient pressure) Critical Pressure cm3 mol-1 cm3 mol-1 Ref. Temp (C) cm3 mol-1 n/a 1.70E+02 n/a single literature value Average n/a n/a n/a n/a n/a n/a 1.70E+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 n/a n/a n/a 169.8 169.80 n/a KJ mol-1 J Mol-1 KJ mol-1 J Mol-1 KJ mol-1 J Mol-1 Ref. Temp (C) Normal Calculated value chosen - Average 4.55E+04 Insert Values 5.63E+04 J Mol-1 46208 4.62E+04 Chemical this is similar to range of 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 57.32 57320 n/a n/a n/a Boiling Point reported values Normal Boiling Normal Boiling 60.70 60700 Normal Boiling Point Point 60.70 60700 Point 46.48 46480 K K Ref. Temp (C) o C K Ref. Temp (C) K K Ref. Temp (C) o C K Ref. Temp (C) K 760 760.3 n/a Calculated value chosen - Average 7.72E+02 n/a Insert Values n/a 7.76E+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 772 772 n/a n/a 772 772 n/a n/a of reported values n/a n/a 772 772 n/a n/a n/a n/a 784 784 n/a n/a Bar Atmosph Ref. Temp (C) Bar Atmosph Ref. Temp (C) Average 3.55E+01 3.80E+01 Calculated value chosen - 36 35.5 36.0 35.5 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 36.0 35.5 n/a n/a n/a of reported values 43.6 43.0 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 8.74E-03 10 Estimated from parameters above using Clapyron relationship or direct calculation Vapour pressure at ambient soil temperature Pa 2.97 10 Estimated from parameters above using Grain-Watson method Diffusion coefficient in air m 2 .s -1 6.02E-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 3.23 n/a Estimated from parameters above using equation in Table 2.12 of SR7 Page 1 of 1 EIC proforma 1-methylnaphthalene.xls 28/08/2009
www.esdat.net Esdat Environmental Database Management Software +61 2 8875 7948 2,4-Dimethylphenol CAS Number: 105-67-9 Assessor A: D Brooks, Sirius Assessor B: J Lymer, Wardell Armstrong Final Review: Panel/SF Date 01/04/2009 Date 14/04/2009 Date 28/08/2009 Oral Dermal Inhalation Combine Oral and Inhalation TDIs Justification Apply TDIoral to exposure routes Apply IDoral to exposure routes Yes Yes Yes No No No NR Insufficient evaluation to determine with respect to a human carcinogen - TDIoral applied to oral, dermal and inhalation routes Apply TDIinh to exposure routes Apply IDinh to exposure routes No No No No No No Inadequate data available to derive inhalation HCV TDI oral Recommended TDIoral Units 20 ug.kg-1.d-1 Justification Only available value from reliable source (IRIS) chosen Organisation Web Link Last Updated Date Web Checked Health criteria type Value Initial Units CLEA units ug.kg- 1.d-1 USEPA Integrated Risk Information System (IRIS) Confidence rating Basis Value Units UF UF description http://epa.gov/iris/ 01/11/1990 13/03/2009 Oral RfD 0.02 mg/kg/day 20 Medium-Low NOAEL 50 mg/kg/day 3000 An uncertainty factor of 3000 was established: 10 each for inter- and intraspecies variability and 30 for lack of chronic toxicity data, data in a second species and reproductive/developmental studies US EPA Provisional Peer Reviewed Toxicity Values (PPRTV) http://rais.ornl.gov/tox/unauthorized.shtml 27/06/2007 15/07/2009 Subchronic Oral Rfd 0.05 mg/kg/day 50 NOAEL 50 mg/kg/day 1000 10 for interspecies; 10 for intraspecies; 10 for database insufficiencies TDI inhal Recommended TDIinhal N/A Units Justification Inadequate data available to derive inhalation HCV Organisation Last Updated Health criteria type Value Initial Units CLEA units ug.kg- 1.d-1 ID oral Recommended IDoral Units Justification Confidence rating Basis Value Units UF UF description Organisation Last Updated Non threshold effects Basis Health criteria type Value Units Confidence rating Basis ID inhal Recommended IDinhal Units Justification Organisation Last Updated Non threshold effects Basis Health criteria type Value Units Confidence rating Basis Page 1 of 2 EIC proforma 2,4-dimethylphenol.xls28/08/2009
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www.esdat.net Esdat Environmental Database Management Software +61 2 8875 7948<br />
Substance: 1-Methylnaphthalene<br />
CAS Number: 90-12-0<br />
Assessor A:<br />
Mike Rogers<br />
Assessor B:<br />
Andreas Neymeyer<br />
Final review: Panel/SF<br />
Andreas Neymeyer<br />
Mike Rogers<br />
Chemical Formula:<br />
C11H10<br />
Phase at Ambient<br />
Tempertaure<br />
Liquid<br />
Date: 09/04/2009<br />
Date: 16/04/2009<br />
Date: 28/08/2009<br />
http://srdata.nist.gov/solubility/<br />
http://webbook.nist.gov/chemistry/ http://cs3-hq.oecd.org/scripts/hpv/<br />
A<br />
B<br />
C<br />
D<br />
E<br />
F<br />
G<br />
H<br />
Property Units Calculated Value Adopted Value Ref. Temp (C)<br />
Rationale<br />
References<br />
HOWARD, 1990<br />
LIDE, 2008<br />
MACKAY et al, 2006<br />
MERCK, 2006<br />
MONTGOMERY, 2007<br />
MONTGOMERY, 1997<br />
NIST, 2005<br />
OECD, 2000<br />
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)<br />
Required Parameters<br />
Relative Molecular Mass g mol -1 n/a<br />
142.20<br />
n/a<br />
Little variation/consistently<br />
reported as 142.2g/mol<br />
g mol -1 g mol -1<br />
Ref. Temp (C)<br />
g mol -1 g mol -1<br />
Ref. Temp (C)<br />
g mol -1 g mol -1<br />
Ref. Temp (C)<br />
g mol -1 g mol -1<br />
Ref. Temp (C)<br />
g mol -1 g mol -1<br />
Ref. Temp (C)<br />
g mol -1 g mol -1<br />
Ref. Temp (C)<br />
g mol -1 g mol -1<br />
Ref. Temp (C)<br />
g mol -1 g mol -1<br />
Ref. Temp (C)<br />
Average Insert Values n/a 124.2 n/a Insert Values n/a Insert Values n/a Insert Values n/a Insert Values n/a 142.1971 n/a Insert Values n/a<br />
n/a 124.2 124.2 n/a n/a n/a n/a n/a 142.1971 142.1971 n/a n/a<br />
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)<br />
Henry's Law Constant (HLC)<br />
Pa m3 mol-1<br />
n/a<br />
4.15E+01<br />
25<br />
No consistent range - most<br />
recent value<br />
Geomean Insert Values 4.15E+01 25 3.25E+01 25 3.20E+01 25 Insert Values 3.47E+01 25 Insert Values<br />
0.042 41.5 26.3 26.3 2.57E-04 26.0 2.7 37.1<br />
44.2 44.2 2.39E-04 24.2 2.3 43.6<br />
45.0 45.0 5.12E-04 51.9 3.9 25.7<br />
26.3 26.3<br />
16.0 16.0<br />
27.2 27.2<br />
25<br />
62.4 62.4<br />
n/a<br />
n/a<br />
n/a<br />
25<br />
24.3 24.3<br />
25<br />
25<br />
44.9 44.9<br />
Solubility (S) 10 oC where<br />
possible. (Use unit converter<br />
if source provides different<br />
units)<br />
mg/L<br />
n/a<br />
2.05E+01<br />
10<br />
Solubility at assumed UK<br />
soil average temperature<br />
10°C<br />
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)<br />
Geomean Insert Values 2.80E+01 25 2.77E+01 25 Insert Values Insert Values Insert Values 2.05E+01 10 Insert Values<br />
2.80E-02 28 25.8 25.8 20.5 20.5<br />
28.5 28.5<br />
24.9 24.9<br />
29.5 29.5<br />
25<br />
30.4 30.4<br />
26.9 26.9<br />
25<br />
10<br />
27.7 27.7<br />
31.7 31.7<br />
28.0 28.0<br />
24.2 24.2<br />
o C K Ref. Temp (C)<br />
o C K Ref. Temp (C)<br />
o C K Ref. Temp (C)<br />
o C K Ref. Temp (C)<br />
o C K Ref. Temp (C)<br />
o C K Ref. Temp (C) K K Ref. Temp (C)<br />
o C K Ref. Temp (C)<br />
Chemical Boiling Point<br />
(ambient pressure)<br />
K<br />
n/a<br />
5.17E+02<br />
n/a<br />
Median value chosen as<br />
central value of consistent<br />
range<br />
Average Insert Values n/a 5.18E+02 n/a 5.16E+02 n/a Insert Values n/a Insert Values n/a Insert Values n/a 5.15E+02 n/a 5.18E+02 n/a<br />
n/a 244.6 517.75 n/a 245 518 n/a n/a n/a n/a 515 515 n/a 245 518 n/a<br />
n/a 244.8 517.90 n/a 240 513 n/a n/a n/a n/a n/a n/a<br />
n/a n/a 245 518 n/a n/a n/a n/a n/a n/a<br />
o C K Ref. Temp (C)<br />
o C K Ref. Temp (C)<br />
o C K Ref. Temp (C)<br />
o C K Ref. Temp (C)<br />
o C K Ref. Temp (C)<br />
o C K Ref. Temp (C) K K Ref. Temp (C)<br />
o C K Ref. Temp (C)<br />
Chemical Melting Point<br />
(ambient pressure)<br />
K<br />
n/a<br />
2.47E+02<br />
n/a<br />
Median value chosen as<br />
central value of consistent<br />
range<br />
Average Insert Values n/a 2.47E+02 n/a 2.47E+02 n/a Insert Values n/a Insert Values n/a Insert Values n/a 2.44E+02 n/a 2.51E+02 n/a<br />
n/a -22.0 251 n/a -22.0 251 n/a n/a n/a n/a 244 244 n/a -22 251 n/a<br />
n/a -30.5 243 n/a -25.0 248 n/a n/a n/a n/a n/a n/a<br />
n/a n/a -30.5 243 n/a n/a n/a n/a n/a n/a<br />
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)<br />
Log Octanol - Water<br />
Coefficient<br />
Dimensionless<br />
n/a<br />
3.87<br />
n/a<br />
no consistent range -<br />
newest source<br />
(Montgomery, 2007) value<br />
chosen<br />
Average Insert Values n/a Insert Values n/a 4.01E+00 n/a Insert Values n/a 3.87E+00 n/a Insert Values n/a Insert Values n/a 3.87E+00 n/a<br />
n/a n/a 3.87 3.87 n/a n/a 3.87 3.87 n/a n/a n/a 3.87 3.87 n/a<br />
n/a n/a 3.87 3.87 n/a n/a n/a n/a n/a n/a<br />
n/a n/a 3.95 3.95 n/a n/a n/a n/a n/a n/a<br />
n/a n/a 3.86 3.86 n/a n/a n/a n/a n/a n/a<br />
n/a n/a 3.87 3.87 n/a n/a n/a n/a n/a n/a<br />
n/a n/a 3.91 3.91 n/a n/a n/a n/a n/a n/a<br />
n/a n/a 3.87 3.87 n/a n/a n/a n/a n/a n/a<br />
n/a n/a 3.92 3.92 n/a n/a n/a n/a n/a n/a<br />
n/a n/a 5.08 5.08 n/a n/a n/a n/a n/a n/a<br />
n/a n/a 3.87 3.87 n/a n/a n/a n/a n/a n/a<br />
Molar Volume (Le<br />
Bas method)<br />
Enthalpy of Vaporisation at<br />
normal boiling point (EVNBP)<br />
Chemical Critical Point<br />
temperature<br />
(ambient pressure)<br />
Critical Pressure<br />
cm3 mol-1 cm3 mol-1 Ref. Temp (C)<br />
cm3 mol-1<br />
n/a 1.70E+02<br />
n/a<br />
single literature value<br />
Average<br />
n/a<br />
n/a n/a n/a<br />
n/a<br />
n/a<br />
1.70E+02 n/a<br />
n/a n/a n/a n/a<br />
n/a<br />
n/a<br />
n/a<br />
n/a<br />
n/a<br />
n/a<br />
n/a<br />
n/a<br />
n/a<br />
n/a<br />
n/a<br />
169.8 169.80 n/a<br />
KJ mol-1 J Mol-1 KJ mol-1 J Mol-1 KJ mol-1 J Mol-1 Ref. Temp (C)<br />
Normal Calculated value chosen - Average 4.55E+04 Insert Values 5.63E+04<br />
J Mol-1<br />
46208 4.62E+04 Chemical this is similar to range of<br />
n/a<br />
n/a<br />
n/a<br />
45.5 45500 n/a<br />
n/a<br />
n/a<br />
n/a<br />
n/a<br />
n/a<br />
n/a<br />
n/a<br />
n/a<br />
57.32 57320<br />
n/a<br />
n/a<br />
n/a<br />
Boiling Point reported values<br />
Normal Boiling<br />
Normal Boiling<br />
60.70 60700 Normal Boiling<br />
Point<br />
Point<br />
60.70 60700 Point<br />
46.48 46480<br />
K K Ref. Temp (C) o C K Ref. Temp (C) K K Ref. Temp (C) o C K Ref. Temp (C)<br />
K 760<br />
760.3<br />
n/a<br />
Calculated value chosen -<br />
Average 7.72E+02 n/a Insert Values n/a 7.76E+02 n/a Insert Values n/a<br />
this is consistent to range<br />
n/a n/a<br />
n/a n/a n/a<br />
n/a<br />
n/a<br />
n/a<br />
n/a<br />
n/a<br />
n/a<br />
n/a<br />
772 772 n/a n/a 772 772 n/a n/a<br />
of reported values<br />
n/a n/a 772 772 n/a n/a<br />
n/a n/a 784 784 n/a n/a<br />
Bar Atmosph Ref. Temp (C) Bar Atmosph Ref. Temp (C)<br />
Average 3.55E+01 3.80E+01 <br />
Calculated value chosen -<br />
36 35.5 36.0 35.5<br />
atm<br />
32.0<br />
32.03 this is consistent to range<br />
n/a n/a n/a n/a n/a n/a n/a<br />
n/a n/a<br />
n/a n/a n/a<br />
n/a n/a<br />
n/a 36.0 35.5<br />
n/a n/a n/a<br />
of reported values<br />
<br />
43.6 43.0<br />
<br />
Calcuated parameters <strong>for</strong> input to CLEA model (UPDATED FROM THE SPREADSHEET TOOL)<br />
Property Units Calculated Value Ref. Temp (C) Rationale Property Units<br />
Calculated<br />
Value<br />
Ref. Temp (C) Rationale Property Units<br />
Calculated<br />
Value<br />
Ref. Temp (C) Rationale Property Units<br />
Calculated<br />
Value<br />
Ref. Temp (C) Rationale Property Units<br />
Calculated<br />
Value<br />
Ref. Temp (C)<br />
Rationale<br />
Air-water partition coefficient<br />
at ambient soil temperature<br />
cm 3 .cm -3 8.74E-03 10<br />
Estimated from<br />
parameters above<br />
using Clapyron<br />
relationship or<br />
direct calculation<br />
Vapour pressure at<br />
ambient soil<br />
temperature<br />
Pa 2.97 10<br />
Estimated<br />
from<br />
parameters<br />
above using<br />
Grain-Watson<br />
method<br />
Diffusion<br />
coefficient in<br />
air<br />
m 2 .s -1 6.02E-06 10<br />
Estimated<br />
from<br />
parameters<br />
above using<br />
Wilkie-Lee<br />
method<br />
Diffusion<br />
coefficient in<br />
water<br />
m 2 .s -1 4.75E-10 10<br />
Estimated<br />
from<br />
parameters<br />
above using<br />
Hayduk and<br />
Laudie<br />
method<br />
Organic<br />
carbon-water<br />
partition<br />
coefficient<br />
Log cm 3 .g -1 3.23 n/a<br />
Estimated<br />
from<br />
parameters<br />
above using<br />
equation in<br />
Table 2.12 of<br />
SR7<br />
Page 1 of 1 EIC pro<strong>for</strong>ma 1-methylnaphthalene.xls 28/08/2009