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 tert-Butylbenzene CAS 98-06-6 Assessor A: J Thornton, Golder Assessor B: N Dixon, Final review: Panel/SF Associates WorleyParsons Date 16/04/2009 Date 06/05/2009 Date 28/08/2009 MDI Recommended MDIoral Units 0 ug day-1 Justification: No data, assumed negligible. MDI Recommended MDIinh Units Justification: Only data found, UK specific (TOXNET). Converted 780 ug day-1 assuming an adult breathes 20m3/day. Organisation Date Media Value Units Description Reference Web link Toxicological Data Network (TOXNET) 14/04/2009 Ambient air 780 ug day -1 0- 39 ug.m 3 study carried out in 1979 in 6 cities surrounding Gatwick airport London. Converted using 39μg/m3 x 20m3/day. Tsani-Bazaca E et al; Chemosphere 11: 11-23 (1982) http://toxnet.nlm.ni h.gov/cgibin/sis/search/f./te mp/~H43sxi:1 (Page 1 of 1) (EIC proforma tert butylbenzene.xls 28/08/2009)
www.esdat.net Esdat Environmental Database Management Software +61 2 8875 7948 Substance: tert butylbenzene CAS Number: 98-06-6 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: 16/04/2009 Date: 06/05/2009 Date: 28/08/2009 http://srdata.nist.gov/solubility/ Property Units Calculated Value Adopted Value Ref. Temp (C) Rationale References A HOWARD, 1990 B LIDE, 2008 C MACKAY et al, 2006 D MERCK, 2006 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) E MONTGOMERY, 2007 F MONTGOMERY, 1997 Source Units SR7 Units Ref. Temp (C) Source Units SR7 Units Ref. Temp (C) http://webboK.nist.gov/chemistry/ http://cs3-hq.oecd.org/scripts/hpv/ G H NIST, 2005 OECD, 2000 Source Units SR7 Units Ref. Temp (C) Source Units SR7 Units Ref. Temp (C) Required Parameters Relative Molecular Mass g mol -1 n/a 134.218 n/a Most values are the same, most accurate 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 n/a 134.218 n/a 134.218 n/a 134.22 n/a 134.22 n/a n/a 134.22 n/a n/a no data no data n/a 134.218 134.218 n/a 134.218 134.218 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 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 1.28E+03 25 1.25E+03 25 1.19E+03 25 25 1.19E+03 25 no data no data 1.28E+00 1.28E+03 1.20E+03 1200 1.17E-02 1185.5025 no data no data 1.19E+03 no data no data 1300 1300 1.18E+03 Henry's Law Constant (HLC) Pa m3 mol-1 n/a 1.28E+03 25 No consistent range, value from most recent source adopted 25 25 25 n/a n/a n/a 25 25 25 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 3.20E+01 25 3.17E+01 25 2.95E+01 25 3.17E+01 25 no data no data 3.20E-02 32 3.40E+01 3.40E+01 no data no data 2.95E+01 2.95E+01 no data no data 3.40E+01 3.40E+01 no data no data 29.5 2.95E+01 29.5 2.95E+01 Solubility (S) 10 oC where possible. (Use unit converter if source provides different units) mg/L n/a 2.73E+01 25 Median value of consistent range 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 4.42E+02 n/a Median value from a consistent range. Average n/a 4.42E+02 n/a 4.42E+02 n/a 4.42E+02 n/a 4.42E+02 n/a n/a 4.42E+02 n/a n/a no data no data n/a 169.1 442.25 n/a 169 442.15 n/a 168.5 441.65 n/a 169.15 442.30 n/a no data no data n/a 442 442.00 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 2.15E+02 n/a Median value from a consistent range. Average Insert Values n/a 2.15E+02 n/a 1.982E+02 n/a 2.15E+02 n/a 2.1535E+02 n/a Insert Values n/a Insert Values n/a Insert Values n/a n/a -57.8 215.35 n/a -75 198.15 n/a -58 215.15 n/a -57.8 215.35 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 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 37728.14046 4.11 1.85E+02 3.77E+04 n/a n/a Normal Chemical Boiling Point Median value from consistent range single source Calculated Value Average n/a 4.11E+00 n/a 4.12E+00 n/a n/a 4.09E+00 n/a n/a n/a n/a no data no data n/a 4.11 4.11 n/a 4.11 4.11 n/a no data no data n/a 4.11 4.11 n/a no data no data n/a no data no data n/a no data no data n/a n/a n/a 4.07 4.07 n/a n/a 4.07 4.07 n/a n/a n/a n/a n/a n/a 4.25 4.25 n/a n/a n/a n/a n/a n/a n/a n/a 4.49 4.49 n/a n/a n/a n/a n/a n/a n/a n/a 4.11 4.11 n/a n/a n/a n/a n/a n/a n/a n/a 4.11 4.11 n/a n/a n/a n/a n/a n/a n/a n/a 3.73 3.73 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 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 4.79E+04 no data no data no data no data 47.72 47720 n/a n/a n/a Normal Boiling Point Normal Boiling Point n/a n/a n/a n/a n/a n/a n/a n/a n/a 48.1 48100 Normal Boiling Point n/a n/a n/a Chemical Critical Point temperature (ambient pressure) K 652.9823193 653.0 n/a Calculated Value Critical Pressure atm 28.90122254 28.90 not given Calculated Value K K Ref. Temp (C) o C K Ref. Temp (C) K K Ref. Temp (C) o C K Ref. Temp (C) Average 6.48E+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 647.5 647.50 n/a no data no data n/a no data no data n/a no data no data 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) Average 2.86E+01 not given 29 28.62077473 no data no data n/a n/a n/a not given 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 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 1.998E-01 n/a Estimated from parameters above using Clapyron relationship or direct calculation Vapour pressure at ambient soil temperature Pa 143.5025549 n/a Estimated from parameters above using Grain-Watson method Diffusion coefficient in air m 2 .s -1 6.04E-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 3.43 n/a Estimated from parameters above using equation in Table 2.12 of SR7 (Page 1 of 1) (EIC proforma tert butylbenzene.xls 28/08/2009)
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