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 Simon Clennell-Jones Assessor B: Simon Tempest (ERM) Isopropylbenzene CAS 98-82-8 Assessor A: (WSP) Final review: Panel/SF Date 19/05/2009 Date 01/06/2009 Date 28/08/2009 MDI Recommended MDIoral Units 0 μg day-1 Justification: The available qualitative information (ECB) indicates that background exposure via food and water is considered to be negligible in comparison to HCV. HCV is equivalent to drinking water concentration of 3500μg/L based on a 70kg adult consuming 2L/day. Organisation Date Media Value Units Description Reference Web link European Chemicals Bureau http://ecb.jrc.it/ (ECB) 01/06/2009 Negligible μg.day-1 The report states that "model predictions suggest that by far the greater amount of human exposure via the environment will be from the air, contributing some 97% of the intake". European Commission, Joint Research Centre, August 1999. Cumene, Summary Risk Assessment Report. (Preface of report states "summary report should preferably not be used for citation purposes") MDI Recommended MDIinh Units 294 ug day-1 Justification: Based on reported ambient cumene concentration reported in IPCS CICADs Organisation Date Media Value Units Description Reference Web link European Chemicals Bureau (ECB) 01/06/2009 Air 1 ug/day Based on regional exposure level of 1.45e-5 mg/kg/bw/day from the EUSES model European Commission, Joint Research Centre, August 1999. Cumene, Summary Risk Assessment Report. (Preface of report states "summary report should preferably not be used for citation purposes") http://ecb.jrc.it/ IPCS Concise International Chemical Assessment Documents (CICADs) 01/06/2009 Air 294 ug/day Based on reported ambient cumene concentration of 0.0147mg/m3. IPCS INCHEM, 1999. Concise International Chemical Assessment Document 18. Cumene. http://inchem.org/pages/cicads.html Page 1 of 1 EIC proforma isopropylbenzene.xls28/08/2009
www.esdat.net Esdat Environmental Database Management Software +61 2 8875 7948 98-82-8 Substance: Iso-propylbenzene CAS Number: Assessor A: Simon Clennell-Jones (WSP) Assessor B: Alan Wilson (ERM) Final Review Panel/SF Chemical Formula: Phase at Ambient C 9H 12 Liquid Tempertaure Date: 20.04.2009 Date: 19.05.2009 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 120.191 n/a Consistent value 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 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 120.2 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 120.2 120.2 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) Henry's Law Constant (HLC) Pa m3 mol-1 n/a 1.47E+03 25 No consistent values, most recent source Geomean Insert Values 25 1.47E+03 25 1.29E+03 25 5.65E+02 25 Insert Values 25 8.62E+02 25 Insert Values 25 1.466 1.47E+03 1469 1469 0.00558 565.3935 0.087 1.15E+03 1126 1126 0.068 1.48E+03 0.068 1.48E+03 0.78 1.29E+02 25 25 25 n/a n/a n/a 25 25 0.068 1.48E+03 25 25 Solubility (S) 10 oC where possible. (Use unit converter if source provides different units) mg/L n/a 56.00 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 5.60E+01 25 5.77E+01 25 Insert Values 5.79E+01 Insert Values 5.52E+01 25 5.00E+01 25 0.056 56 73 7.30E+01 48.3 4.83E+01 53 5.30E+01 50 5.00E+01 80.5 8.05E+01 50.5 5.05E+01 50 5.00E+01 53 5.30E+01 53 5.30E+01 65.3 6.53E+01 50 5.00E+01 65.3 6.53E+01 48.3 4.83E+01 50 5.00E+01 73 7.30E+01 61.5 6.15E+01 25 65.3 6.53E+01 25 61.3 6.13E+01 25 25 25 48.3 4.83E+01 48.3 4.83E+01 61.5 6.15E+01 56 5.60E+01 170 Outlier 170 Outlier 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 425.55 n/a Central Value From Consistent Range Average Insert Values n/a 4.26E+02 n/a 4.26E+02 n/a 4.26E+02 n/a 4.26E+02 n/a Insert Values n/a 4.25E+02 n/a 4.26E+02 n/a n/a 152.41 425.56 n/a 152.41 425.56 n/a 152 425.15 n/a 152.4 425.55 n/a n/a 425 425.00 n/a 152.39 425.54 n/a n/a n/a n/a 153 426.15 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 177.13 n/a Central Value From Consistent Range Average Insert Values n/a 1.77E+02 n/a 1.77E+02 n/a Insert Values n/a 1.77E+02 n/a Insert Values n/a Insert Values n/a Insert Values n/a n/a -96.02 177.13 n/a -96.02 177.13 n/a n/a -96 177.15 n/a n/a n/a n/a n/a n/a n/a n/a -96.8 176.35 n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a 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 3.65 n/a Central Value From Consistent Range Average Insert Values n/a 3.66E+00 n/a 3.65E+00 n/a Insert Values n/a 3.65E+00 n/a Insert Values n/a Insert Values n/a 3.66E+00 n/a n/a 3.66 3.66 n/a 3.43 3.43 n/a n/a 3.63 3.63 n/a n/a n/a 3.66 3.66 n/a n/a n/a 3.66 3.66 n/a n/a 3.66 3.66 n/a n/a n/a n/a n/a n/a 3.63 3.63 n/a n/a n/a n/a n/a n/a n/a n/a 3.51 3.51 n/a n/a n/a n/a n/a n/a n/a n/a 3.52 3.52 n/a n/a n/a n/a n/a n/a n/a n/a 3.52 3.52 n/a n/a n/a n/a n/a n/a n/a n/a 3.4 3.40 n/a n/a n/a n/a n/a n/a n/a n/a 3.89 3.89 n/a n/a n/a n/a n/a n/a n/a n/a 4.07 4.07 n/a n/a n/a n/a n/a n/a n/a n/a 3.66 3.66 n/a n/a n/a n/a n/a n/a n/a n/a 3.82 3.82 n/a n/a n/a n/a n/a n/a n/a n/a 3.66 3.66 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) cm3 mol-1 J Mol-1 n/a 37021.76274 162.6 37,022 K 634.1308585 634.1 n/a Normal Chemical Boiling Point n/a single value Calculated 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 1.63E+02 n/a 162.6 162.60 n/a KJ mol-1 J Mol-1 KJ mol-1 J Mol-1 KJ mol-1 J Mol-1 Ref. Temp (C) Average 3.72E+04 3.75E+04 4.31E+04 n/a n/a n/a 37.167 37167 37.53 37530 n/a n/a n/a n/a n/a n/a n/a n/a n/a 45.15 45150 Normal Normal Normal 37 37000 Boiling Boiling Boiling 45.14 45140 Point Point Point 45.1 45100 K K Ref. Temp (C) o C K Ref. Temp (C) K K Ref. Temp (C) o C K Ref. Temp (C) Average 6.31E+02 n/a Insert Values n/a 6.31E+02 n/a Insert Values n/a n/a n/a n/a 631 631.00 n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a 631 631.00 n/a n/a 631.1 631.10 n/a n/a 624.55 624.55 n/a n/a n/a n/a 635.9 635.90 n/a n/a Bar Atmosph Ref. Temp (C) Bar Atmosph Ref. Temp (C) Average 3.17E+01 3.05E+01 32.09 31.67036763 32.1 31.68023686 Critical Pressure atm 32.33388501 32.33 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 32.09 31.67036763 n/a n/a n/a 27.8644 27.50002467 31.6 31.18677523 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 0.237 10 Estimated from parameters above using Clapyron relationship or direct calculation Vapour pressure at ambient soil temperature Pa 266.990 10 Estimated from parameters above using Grain-Watson method Diffusion coefficient in air m 2 .s -1 6.49E-06 10 Estimated from parameters above using Wilkie-Lee method Diffusion coefficient in water m 2 .s -1 4.87E-10 10 Estimated from parameters above using Hayduk and Laudie method Organic carbon-water partition coefficient Log cm 3 .g -1 3.06 n/a Estimated from parameters above using equation in Table 2.12 of SR7 Page 1 of 1 EIC proforma isopropylbenzene.xls28/08/2009
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