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

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www.esdat.net Esdat Environmental Database Management Software +61 2 8875 7948 Substance: Propylbenzene CAS Number: 103-65-1 Assessor A: Alan Wilson (ERM) Assessor B: S. Clennell-Jones (WSP) Final Review Panel/SF Phase at Ambient Chemical Formula: C 9H 12 Liquid Date: 19.05.2009 Date: 01.06.09 Date: 28.08.2009 http://srdata.nist.gov/solubility/ Tempertaure Property Units Calculated Value Required Parameters Adopted Value Ref. Temp (C) Rationale References A HOWARD, 1990 B LIDE, 2008 Source Units SR7 Units Ref. Temp (C) Source Units SR7 Units Ref. Temp (C) Source Units C D E F MACKAY et al, 2006 MERCK, 2006 MONTGOMERY, 2007 MONTGOMERY, 1997 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) http://webbook.nist.gov/chemistry/ Source Units G NIST, 2005 SR7 Units Ref. Temp (C) http://cs3-hq.oecd.org/scripts/hpv/ H OECD, 2000 Source Units SR7 Units Ref. Temp (C) Relative Molecular Mass g mol -1 n/a 120.191 n/a Consistent Value g -1 g -1 g -1 mol 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) mol g mol -1 Ref. Temp (C) g mol -1 g mol -1 Ref. Temp (C) mol g mol -1 Ref. Temp (C) Average Insert Values n/a 120.191 n/a 120.191 n/a 120.19 n/a 120.19 n/a Insert Values n/a 120.1916 n/a Insert Values n/a n/a 120.191 120.191 n/a 120.191 120.191 n/a 120.19 120.19 n/a 120.19 120.19 n/a n/a 120.1916 120.1916 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 1.03E+03 25 Median Value From Consistent Range Geomean Insert Values 25 1.04E+03 25 1.09E+03 25 1.01E+03 25 Insert Values 25 9.54E+02 25 Insert Values 25 1.04E+00 1.04E+03 1062 1062 0.0108 1094.31 0.097 1034.03 1094 1094 0.00791 801.48075 0.09 1114.45 1034 1034 0.0116 1175.37 0.14 716.44 1102 1102 0.1 1003.01 25 25 1175 1175 25 n/a n/a n/a 25 25 25 25 Solubility (S) 10 oC where possible. (Use unit converter if source provides different units) mg/L n/a 54.10 10 Median Value From Consistent Range at 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 5.20E+01 25 5.48E+01 10 Insert Values 5.34E+01 10 Insert Values 5.46E+01 25 Insert Values 5.20E-02 52 53.73 5.37E+01 53.72 5.37E+01 55 5.50E+01 55.96 5.60E+01 53 5.30E+01 70 7.00E+01 51 5.10E+01 45.2 4.52E+01 25 10 10 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 432.35 n/a Median Value From a Consistent Range Average Insert Values n/a 4.32E+02 n/a 4.32E+02 n/a 4.32E+02 n/a 4.32E+02 n/a Insert Values n/a 4.32E+02 n/a Insert Values n/a n/a 159.24 432.39 n/a 159.24 432.39 n/a 159.2 432.35 n/a 159.2 432.35 n/a n/a 432 432.00 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 173.55 n/a Median Value From Consistent Range Average Insert Values n/a 1.74E+02 n/a 1.74E+02 n/a 1.74E+02 n/a 1.73E+02 n/a Insert Values n/a Insert Values n/a Insert Values n/a n/a -99.6 173.55 n/a -99.6 173.55 n/a -99.2 173.95 n/a -99.5 173.65 n/a n/a n/a n/a n/a n/a n/a n/a -101.75 171.40 n/a n/a n/a n/a n/a n/a 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 3.69 n/a Median Value From Consistent Range Average Insert Values n/a 3.69E+00 n/a 3.69E+00 n/a Insert Values n/a 3.68E+00 n/a Insert Values n/a Insert Values n/a Insert Values n/a n/a 3.69 3.69 n/a 3.68 3.68 n/a n/a 3.68 3.68 n/a n/a n/a n/a n/a n/a 3.57 3.57 n/a n/a 3.69 3.69 n/a n/a n/a n/a n/a n/a 3.68 3.68 n/a n/a 3.69 3.69 n/a n/a n/a n/a n/a n/a 3.66 3.66 n/a n/a 3.69 3.69 n/a n/a n/a n/a n/a n/a 3.44 3.44 n/a n/a 3.69 3.69 n/a n/a n/a n/a n/a n/a 3.691 3.69 n/a n/a 3.7 3.70 n/a n/a n/a n/a n/a n/a 3.701 3.70 n/a n/a 3.72 3.72 n/a n/a n/a n/a n/a n/a 3.72 3.72 n/a n/a 3.74 3.74 n/a n/a n/a n/a n/a n/a 3.71 3.71 n/a n/a 3.44 3.44 n/a n/a n/a n/a n/a n/a 3.63 3.63 n/a n/a 3.71 3.71 n/a n/a n/a n/a n/a n/a 3.69 3.69 n/a n/a 3.72 3.72 n/a n/a n/a n/a n/a n/a 3.89 3.89 n/a n/a 3.73 3.73 n/a n/a n/a n/a n/a n/a 3.69 3.69 n/a n/a n/a n/a n/a n/a n/a n/a 3.69 3.69 n/a n/a n/a n/a n/a n/a n/a n/a 3.71 3.71 n/a n/a n/a n/a n/a n/a n/a n/a 3.88 3.88 n/a n/a n/a n/a n/a n/a n/a n/a 3.69 3.69 n/a n/a n/a n/a n/a n/a n/a n/a 3.69 3.69 n/a n/a n/a n/a n/a n/a n/a n/a 3.72 3.72 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) cm3 mol-1 J Mol-1 n/a 38143.92761 170 n/a 3.81E+04 Normal Chemical Boiling Point Single Value Calculated 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 1.70E+02 n/a 170 170.00 n/a KJ mol-1 J Mol-1 KJ mol-1 J Mol-1 KJ mol-1 J Mol-1 Ref. Temp (C) Average Insert Values Insert Values 4.62E+04 n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a 46.24 46240 Normal Normal 46.1 46100 Boiling Boiling 46.22 46220 Point Point 46.2 46200 K K Ref. Temp (C) o C K Ref. Temp (C) K K Ref. Temp (C) o C K Ref. Temp (C) Average 6.38E+02 n/a Insert Values n/a 6.39E+02 n/a Insert Values n/a Chemical Critical Point 638.35 638.35 n/a n/a 638.4 638.40 n/a n/a temperature K 638.5093425 638.5 n/a Calculated 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 638.24 638.24 (ambient pressure) 638.36 638.36 n/a n/a 639.2 639.20 n/a n/a n/a n/a 638.8 638.80 n/a n/a Bar Atmosph Ref. Temp (C) Bar Atmosph Ref. Temp (C) Average 3.16E+01 3.15E+01 32 31.58154453 32 31.5815445 Critical Pressure atm 31.77113553 31.77 Calculated 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 n/a n/a 32 31.5815445 n/a n/a n/a 31.7 31.2854676 Normal Boiling Point 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 0.169918509 10 Estimated from parameters above using Clapyron relationship or direct calculation Vapour pressure at ambient soil temperature Pa 180.058 10 Estimated from parameters above using Grain- Watson method Diffusion coefficient in air m 2 .s -1 6.35E-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 3.09 n/a Estimated from parameters above using equation in Table 2.12 of SR7 Page 1 of 1 EIC proforma propylbenzene-n.xls28/08/2009
www.esdat.net Esdat Environmental Database Management Software +61 2 8875 7948 sec-Butylbenzene CAS Number: 135-98-8 Assessor A: J Thornton, Golder Associates Assessor B: N Dixon, WorleyParsons Final review: Panel/SF Date 15/04/2009 Date 07/05/2009 Date 28/08/2009 Oral Dermal Inhalation Combine Oral and Inhalation TDIs Justification Apply TDIoral to exposure routes Apply IDoral to exposure routes Apply TDIinh to exposure routes Apply IDinh to exposure routes No No No No No No No No No No No No No Insufficient data with sufficient detail on derivation to derive TDI. No data regarding human carcinogenicity. Insufficient data with sufficient detail on derivation to derive TDI. No data regarding human carcinogenicity. TDI oral Recommended TDIoral Units Justification Insufficient data with sufficient detail on derivation to derive TDI. Organisation Web Link Last Updated Date Web Checked Health criteria type Value Initial Units CLEA units ug.kg-1.d- Confidence rating Basis Value 1 USEPA Region 9 PRG 2004 http://www.epa.gov/region09 2004 14/04/2009 Oral reference dose 4.00E-02 mg/kg-day 40 Unknown Unknown Unknown /superfund/prg/files/04prgtabl e.pdf Texas Commission on Environmental Quality http://www.tceq.state.tx.us/re mediation/rrr.htm Mar-06 05/06/2009 Oral reference dose 4.00E-02 mg.kg day -1 40 Unknown Unknown Unknown TDI inhal Recommended TDIinhal Units Justification Insufficient data with sufficient detail on derivation to derive TDI. Organisation Web Link Last Updated Date Web Checked Health criteria type Value Initial Units CLEA units ug.kg-1.d- Confidence rating Basis Value 1 USEPA Region 9 PRG 2004 http://www.epa.gov/region09 2004 14/04/2009 Inhalation reference dose 4.00E-02 mg/kg-day 40 Unknown Unknown Unknown /superfund/prg/files/04prgtabl e.pdf Texas Commission on Environmental Quality http://www.tceq.state.tx.us/re mediation/rrr.htm Mar-06 05/06/2009 Inhalation reference dose 7.80E-02 mg.kg day -1 78 Unknown Unknown Unknown (Page 1 of 2) (EIC proforma sec butylbenzene.xls 28/08/2009)
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1,3,5-Trimethylbenzene CAS 108-67-8
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