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: n butylbenzene CAS Number: 104-51-8 Assessor A J Thornton, Golder Associates Assessor B N Dixon, Worley Parsons Final Review Panel/SF Chemical Formula: C10H14 Phase at Ambient Tempertaure Liquid Date: 16-Apr-09 Date: 06/05/2009 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 134.22 n/a 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 Average n/a 134.22 n/a 134.2 n/a 134.22 n/a 134.22 n/a n/a 134.22 n/a n/a no data no data n/a 134.22 134.22 n/a 134.2 134.2 n/a 134.22 134.22 n/a 134.22 134.22 n/a no data no data n/a 134.22 134.22 n/a no data no data n/a Ref. Temp (C) 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) Geomean 25 1.33E+03 25 1.40E+03 1.69E+03 25 25 1.29E+03 25 no data no data 1.33E+00 1.33E+03 1.30E+03 1300 1.67E-02 1692.1275 no data no data 7.50E-02 1337.3 no data no data 1502 1502 0.078 1285.9 0.08 1253.8 Henry's Law Constant (HLC) Pa m3 mol-1 n/a 1.33E+03 25 Newest value with known reference temperature. 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 2.04E+01 25 Median value in 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 1.38E+01 25 1.59E+01 25 1.15E+01 25 1.45E+01 25 no data no data 1.38E-02 13.8 1.26E+01 1.26E+01 no data no data 1.18E+01 1.18E+01 no data no data 1.77E+01 1.77E+01 no data no data 50.5 5.05E+01 15.4 1.54E+01 11.8 1.18E+01 17.7 1.77E+01 50 5.00E+01 15.4 1.54E+01 1.26 1.26E+00 11.8 1.18E+01 17.7 1.77E+01 12.6 1.26E+01 13.83 1.38E+01 13.8 1.38E+01 13.76 1.38E+01 15 1.50E+01 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 4.56E+02 n/a Median value in consistent range Average n/a 4.56E+02 n/a 4.56E+02 n/a 4.56E+02 n/a 4.56E+02 n/a n/a 4.56E+02 n/a n/a no data no data n/a 183.31 456.46 n/a 183 456.15 n/a 183.1 456.25 n/a 183.31 456.46 n/a no data no data n/a 456 456.00 n/a no data no data 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 1.85E+02 n/a Median value in consistent range Average n/a 1.85E+02 n/a 1.852E+02 n/a 1.85E+02 n/a 1.8515E+02 n/a n/a 1.8510E+02 n/a n/a no data no data n/a -87.85 185.30 n/a -88 185.15 n/a -88.5 184.65 n/a -88 185.15 n/a no data no data n/a 185.10 n/a no data no data 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 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 Molar Volume (Le Bas method) Enthalpy of Vaporisation at normal boiling point (EVNBP) Dimensionless cm3 mol-1 J Mol-1 n/a n/a 40763.04635 4.26 1.85E+02 4.08E+04 n/a n/a Normal Chemical Boiling Point Median value from consistent range Single value Calculated Value Average n/a 4.26E+00 n/a 4.21E+00 n/a n/a 4.35E+00 n/a n/a n/a n/a no data no data n/a 4.26 4.26 n/a 4.26 4.26 n/a no data no data n/a 4.6 4.60 n/a no data no data n/a no data no data n/a no data no data n/a n/a n/a 3.86 3.86 n/a n/a 4.29 4.29 n/a n/a n/a n/a n/a n/a 4.44 4.44 n/a n/a 4.377 4.38 n/a n/a n/a n/a n/a n/a 4.28 4.28 n/a n/a 4.26 4.26 n/a n/a n/a n/a n/a n/a 4.21 4.21 n/a n/a 4.28 4.28 n/a n/a n/a n/a n/a n/a 4.28 4.28 n/a n/a 4.18 4.18 n/a n/a n/a n/a n/a n/a 4.29 4.29 n/a n/a 4.34 4.34 n/a n/a n/a n/a n/a n/a 4.6 4.60 n/a n/a 4.44 4.44 n/a n/a n/a n/a 4.26 4.26 n/a n/a 4 4.00 n/a n/a n/a n/a n/a n/a 4.19 4.19 4.26 4.26 4.26 4.26 4.38 4.38 3.18 3.18 4.28 4.28 4.34 4.34 4.28 4.28 n/a n/a 4.377 4.38 n/a n/a n/a n/a n/a n/a cm3 mol-1 cm3 mol-1 Ref. Temp (C) Average n/a n/a n/a n/a n/a n/a 1.85E+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 184.8 184.80 n/a KJ mol-1 J Mol-1 KJ mol-1 J Mol-1 KJ mol-1 J Mol-1 Ref. Temp (C) Average 3.89E+04 3.89E+04 38.87 38870 no data no data 38.87 38870 n/a n/a n/a boiling point Normal Boiling Point n/a n/a n/a n/a n/a n/a n/a n/a n/a Normal Boiling Point n/a n/a n/a 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 659.6220239 659.6 Calculated Value Critical Pressure atm 28.45100373 28.45 not given Calculated Value n/a Average 6.61E+02 n/a n/a 6.6050E+02 n/a n/a n/a n/a n/a 660.5 660.50 n/a no data no data n/a 660.5 660.50 n/a no data no data n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a 660.5 660.50 660.05 660.05 n/a n/a 660.45 660.45 n/a n/a n/a n/a 661 661.00 n/a n/a Bar Atmosph Ref. Temp (C) Bar Atmosph Ref. Temp (C) Average 2.85E+01 not given 2.85E+01 28.9 28.52208241 28.9 28.52208241 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 28.87 n/a n/a n/a not given Calcuated parameters for input to CLEA model (UPDATED FROM THE SPREADSHEET TOOL) Property Units Calculated Value Recommended Literature Value Rationale Property Units Calculated Value Recommended Literature Value Rationale Property Units Calculated Value Recommended Literature Value Rationale Property Units Calculated Value Recommended Literature Value Rationale Property Units Calculated Value Recommended Literature Value Rationale Air-water partition coefficient at ambient soil temperature cm 3 .cm -3 1.859E-01 n/a Estimated from parameters above using Clapyron relationship or direct calculation Vapour pressure at ambient soil temperature Pa 54.46952858 n/a Estimated from parameters above using Grain-Watson method Diffusion coefficient in air m 2 .s -1 6.00E-06 n/a Estimated from parameters above using Wilkie-Lee method Diffusion coefficient in water m 2 .s -1 4.52E-10 n/a Estimated from parameters above using Hayduk and Laudie method Organic carbon-water partition coefficient Log cm 3 .g -1 3.55 n/a Estimated from parameters above using equation in Table 2.12 of SR7 (Page 1 of 1) (EIC proforma n butylbenzene.xls28/08/2009)
www.esdat.net Esdat Environmental Database Management Software +61 2 8875 7948 Propylbenzene CAS Number: 103-65-1 Assessor A: David Gallagher (ERM) Assessor B: Simon Clennell-Jones (WSP) Final review: Panel/SF Date 20/05/2009 Date 01/06/2009 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 Yes Yes No No No No No No Yes No No No Yes Carcinogenicity unclassified by IARC or USEPA. Toxicological data suggests it is unlikely to be a carcinogen. Insufficient data with sufficient detail on derivation to derive TDI. Carcinogenicity unclassified by IARC or USEPA. Toxicological data suggests it is unlikely to be a carcinogen. Insufficient data with sufficient detail on derivation to derive TDI. TDI oral Recommended TDIoral Units 100 ug.kg-1.d-1 Justification Ethylbenzene tox from EA 2009 TOX report. USEPA PPRTV recommend ethylbenzene tox for developing a "screening value" for Propylbenzene. Organisation Web Link Last Updated Date Web Checked Health criteria type Value Initial Units CLEA units ug.kg-1.d-1 Confidence rating Basis Value Units UF UF description Study type Description US EPA Provisional Peer Reviewed Toxicity Values (PPRTV) http://rais.ornl.gov/tox/unauthorized.shtml Feb-09 NA RFD PPRTV No chronic or sub chronic RfDs have been developed due to a lack of data. However, ethylbenzene toxicological data is recommended as a surrogate for propylbenzene for developing a "screening value". Ethylbenzene is considered to have similar patterns of absoroptions, metabolism and neurological effects and considered to be more toxic than n- propylbenzene. Texas Commission on Environmental Quality. Texas Risk Reduction Program Protective Concentration Levels http://www.tceq.state.tx.us/remediation/trr p/trrppcls.html 26/03/2009 19/05/2009 Threshold 4.00E-02 mg/kg/bw/day 40 unknown unknown RfD sourced from National Centre for Environmental Assessment (NCEA) TDI inhal Recommended TDIinhal Units 220 ug.kg-1.d-1 Justification Ethylbenzene tox from EA 2009 TOX report. USEPA PPRTV recommend ethylbenzene tox for developing a "screening value" for Propylbenzene. Organisation Web Link Last Updated Date Web Checked Health criteria type Value Initial Units CLEA units ug.kg-1.d-1 Confidence rating Basis Value Units UF UF description Study type Description US EPA Provisional Peer Reviewed Toxicity Values (PPRTV) http://rais.ornl.gov/tox/unauthorized.shtml Feb-09 NA RFC PPRTV No chronic or sub chronic RfDs have been developed due to a lack of data. However, ethylbenzene toxicological data is recommended as a surrogate for propylbenzene fro developing a "screening value". Ethylbenzene is considered to have similar patterns of absoroptions, metabolism and neurological effects and considered to be more toxic than n- propylbenzene. Texas Commission on Environmental Quality. Texas Risk Reduction Program Protective Concentration Levels http://www.tceq.state.tx.us/remediation/trr p/trrppcls.html 26/03/2009 19/05/2009 Threshold 4.00E-01 mg/m 3 114 unknown unknown RfC sourced from unidentified source Page 1 of 2 EIC proforma propylbenzene-n.xls28/08/2009
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1,3,5-Trimethylbenzene CAS 108-67-8
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