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www.esdat.net Esdat Environmental Database Management Software +61 2 8875 7948 Trans-1,2-dichloroethene CAS 156-60-5 Assessor A: Nick Brown Grontmij Assessor B Catherine Helm WD Environmental Final Review Panel/SF Date 29/05/2009 Date 01/06/2009 Date 28/08/2009 MDI Recommended MDIoral Units 4 ug day-1 Only US Data has been identified. In the majority of cases exposure through drinking water and food is likely to be negligible however sources in drinking water have been identified. A value of 4ug day-1 for background exposure through drinking water is tentatively proposed within the WHO Background document for development of WHO Guidelines for Drinking Water Quality. This value appears to be based on the US study that identified detectable concentrations in 8% of drinking water sources with detectable concentrations ranging between 2-120ug/l. In conjunction with the MDI Inhalation (6ug day-1 see below) this equates to a total of 10ug/day background exposure which conforms reasonably well with the RIVM estimate of total background exposure to the mixed isomers of 0.13ug/kgbw/day (9.1ug/day for a 70kg adult). The same value has also been selected for the cis isomer since the primary study does not distinguish between the two isomers. Organisation Date Media Value Units Description Reference Web link International Porgramme on Chemical 14/04/2009 See WHO Guidelines for See WHO Guidelines See WHO Guidelines for DWQ http://www.who.int/water_sanitation_health/dwq/1,2-Dichloroethene.pdf Safety (IPCS) DWQ for DWQ Joint Expert Committee on Food Additives (JEFCA) WHO Guidelines for Drinking Water Quality 14/04/2009 See WHO Guidelines for DWQ See WHO Guidelines for DWQ See WHO Guidelines for DWQ See WHO Guidelines for See WHO Guidelines for DWQ DWQ 14/04/2009 Drinking water 4 ug/day 1,2 dichloroethene (mixed isomers) detected in 8% of drinking supplies derived from groundwater, at concentrations between 2-120ug/l. The high end value is therefore greatly atypical with the majority of drinking water containing concentrations less than detection levels. Estimated 4ug/l MDI is based on a concentration of 2ug/l in drinking water. WHO (2003) 1,2-Dichloroethene in drinking-water. Background document for preparation of WHO Guidelines for drinking-water quality. Geneva,World Health Organization, (WHO/SDE/WSH/03.04/72) WHO (2003) 1,2-Dichloroethene in drinking-water. Background document for preparation of WHO Guidelines for drinking-water quality. Geneva,World Health Organization, (WHO/SDE/WSH/03.04/72) WHO (2003) 1,2-Dichloroethene in drinking-water. Background document for preparation of WHO Guidelines for drinking-water quality. Geneva,World Health Organization, (WHO/SDE/WSH/03.04/72) http://www.who.int/water_sanitation_health/dwq/1,2-Dichloroethene.pdf http://www.who.int/water_sanitation_health/dwq/1,2-Dichloroethene.pdf Dutch National Institute for Public Health and the Environment (RIVM) Maximum Permissable Risk (MPR) Levels 14/04/2009 Drinking water 0-120 ug/l Dutch data not available. 1,2 dichloroethene (mixed isomers) detected in 8% of drinking supplies derived from groundwater, at concentrations between 2-120ug/l.. RIVM estimated background exposure of 0.13ug/kg-bw/day for the mixed isomers via inhalation and oral intake. RIVM Report 711701 025. Re-evaluation of human toxicological maximum permissable risk levels A.J. Bars, R.M.C Theelan, P.J.C.M. Janssen, J.M. Hesse, M.E. van Apeldoorn, M.C.M. Meijerink, L.Verdam, M.J.Zeilmaker March 2001 http://www.rivm.nl/bibliotheek/rapporten/711701025.pdf US Agency for Toxic Substances and Disease Registry (ATSDR) Toxicological Profiles and Minimal Risk Levels 14/04/2009 Drinking water 0-120 ug/l 1,2 dichloroethene (mixed isomers) detected in 8% of drinking supplies derived from groundwater, at concentrations between 2-120ug/l. The high end value is atypical with the majority of drinking water containing concentrations less than detection levels. Toxicological Profile for 1,2-Dichloroethene, ATSDR, 1996 http://www.atsdr.cdc.gov/toxprofiles/tp87.pdf USEPA Health Advisories 14/04/2009 DW 0.07 mg/l MCLG & MCL www.epa.gov/waterscience/criteria/drinking/ Toxicological Data Network (TOXNET) 14/04/2009 ND to 2,277 ug/l ADI from water in HSDB Database (trans isomer specific) http://toxnet.nlm.nih.gov/ USEPA; National Contaminant Occurrence Database. trans-1,2-Dichloroethylene. Available from the Database Query page at http://www.epa.gov/safewater/data/ncod.html as of Apr 12, 2001. MDI Recommended MDIinh Units Only US Data has been identified. The value of 6ug/day is the maximum concentration (for mixed isomers) within range that ATSDR suggest that the general US population is likely to be exposed to. In conjunction with the MDI Oral (4ug day-1 see below) this equates to a total of 10ug/day background exposure which conforms reasonably well with the RIVM estimate of total background exposure to the mixed isomers of 0.13ug/kg-bw/day (9.1ug/day for a 70kg adult). The same value has also been selected for the Cis isomer since ATSDR 6 ug day-1 do not distinguish between the two isomers. Organisation Date Media Value Units Description Reference Web link Joint Expert Committee on Food 14/04/2009 See WHO Guidelines for See WHO Guidelines See WHO See WHO Guidelines for DWQ See WHO Guidelines for DWQ http://www.who.int/water_sanitation_health/dwq/1,2-Dichloroethene.pdf Additives (JEFCA) DWQ for DWQ Guidelines for WHO Guidelines for Drinking Water Quality 14/04/2009 Urban and suburban air 644 (Based on 20m3 x 32.2ug/m3) ug/day http://www.who.int/water_sanitation_health/dwq/1,2-Dichloroethene.pdf 1,2 Dichloroethene (mixed isomers) recorded at mean concentrations of 32.2ug/m3 within indoor air (Data source unclear). WHO (2003) 1,2-Dichloroethene in drinking-water. Background document for preparation of WHO Guidelines for drinking-water quality. Geneva,World Health Organization, (WHO/SDE/WSH/03.04/72) Dutch National Institute for Public Health and the Environment (RIVM) Maximum Permissable Risk (MPR) Levels US Agency for Toxic Substances and Disease Registry (ATSDR) Toxicological Profiles and Minimal Risk Levels 14/04/2009 Urban and suburban air 0.27 (Cis isomer) No background concentration is provided for Trans in air ug/m3 Dutch data not available. RIVM estimated background exposure of 0.13ug/kg-bw/day for the mixed isomers via inhalation and oral intake. 14/04/2009 Ambient air 6 ug/day The general population (USA) estimated to be exposed to low levels of 1,2 dichloroethene (mixed isomers) through inhalation in urban air (1-6ug/day) RIVM Report 711701 025. Re-evaluation of human toxicological maximum permissable risk levels A.J. Bars, R.M.C Theelan, P.J.C.M. Janssen, J.M. Hesse, M.E. van Apeldoorn, M.C.M. Meijerink, L.Verdam, M.J.Zeilmaker March 2001 Toxicological Profile for 1,2-Dichloroethene, ATSDR, 1996 http://www.rivm.nl/bibliotheek/rapporten/711701025.pdf http://www.atsdr.cdc.gov/toxprofiles/tp87.pdf Page 1 of 1 EIC Proforma Trans 1,2 Dichloroethene.xls28/08/2009
www.esdat.net Esdat Environmental Database Management Software +61 2 8875 7948 Substance: Trans 1,2 Dichloroethene CAS Number: 156-60-5 Assessor A: Claire Potter Assessor B: Catherine Helm Final Review Panel/SF Chemical Formula: C2H2Cl2 Phase at Ambient Liquid Tempertaure Date: 01-Apr-09 Date: 29/05/2009 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 96.94 n/a Median value from consistent (medium) range of literature values 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 96.94 n/a 96.943 n/a 96.943 n/a Insert Values n/a Insert Values n/a Insert Values n/a 96.9427 n/a Insert Values n/a 96.94 96.94 n/a 96.943 96.943 n/a 96.943 96.943 n/a n/a n/a n/a 96.9427 96.9427 n/a n/a Median = 883 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 9.60E+02 25 Min = 681 (-23%) Geomean 6.81E+02 25 9.60E+02 25 8.71E+02 25 Insert Values 25 Insert Values 25 8.96E+02 25 Insert Values 25 Max = 960 (+9%) 6.72E-03 6.81E+02 9.60E-01 9.60E+02 6.83E+02 682.7 1.12E-01 8.96E+02 therefore not a 1970 1970 consistent range 2370 2370 669 669 669 669 n/a n/a n/a Adopted value is that from the newest source (Lide 2008), which is the highest value in the range 25 25 539 539 25 25 676 676 634.8 634.8 25 values ranging bet 25 Solubility (S) 10 oC where possible. (Use unit converter if source provides different units) mg/L n/a 5.25E+03 10 Median of three literature values at 10oC 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 6.30E+03 25 5.30E+03 10 6.27E+03 25 Insert Values Insert Values Insert Values 5.25E+03 10 Insert Values 6.30E+03 6.30E+03 5.30E+00 5300 6.26E+03 6.26E+03 5.25E+03 5.25E+03 6300 6.30E+03 6260 6.26E+03 5,250 at 10oC 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) Median value from Average 3.21E+02 n/a 3.22E+02 n/a 3.22E+02 n/a 3.20E+02 n/a Insert Values n/a Insert Values n/a 3.21E+02 n/a Insert Values n/a Chemical Boiling Point K n/a 3.21E+02 n/a consistent (medium) 48 321.15 n/a 48.7 321.85 n/a 48.7 321.85 n/a 47.2 320.35 n/a n/a n/a 321 321.00 n/a n/a (ambient pressure) range of literature values 48.5 321.65 n/a n/a n/a n/a n/a n/a 319 319.00 n/a n/a n/a n/a n/a n/a n/a n/a 323 323.00 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) Median value from Average 2.23E+02 n/a 2.23E+02 n/a 2.23E+02 n/a 2.24E+02 n/a Insert Values n/a Insert Values n/a 2.23E+02 n/a Insert Values n/a Chemical Melting Point K n/a 2.23E+02 n/a consistent (medium) -50 223.15 n/a -49.8 223.35 n/a -49.8 223.35 n/a -49.4 223.75 n/a n/a n/a 223 223.00 n/a n/a (ambient pressure) range of literature values 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) Average 2.06E+00 n/a 1.93E+00 n/a 2.08E+00 n/a Insert Values n/a 2.08E+00 n/a Insert Values n/a Insert Values n/a 2.08E+00 n/a 2.06 2.06 n/a 1.93 1.93 n/a 2.06 2.06 n/a n/a 2.09 2.09 n/a n/a n/a 2.09 2.09 n/a n/a n/a 2.09 2.09 n/a n/a 2.06 2.06 n/a n/a n/a 2.06 2.06 n/a n/a n/a 2.09 2.09 n/a n/a n/a n/a n/a n/a Median value from Log Octanol - Water n/a n/a n/a n/a n/a n/a n/a n/a Dimensionless n/a 2.08E+00 n/a consistent (medium) Coefficient n/a n/a n/a n/a n/a n/a n/a n/a range of literature values 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 n/a n/a cm3 mol-1 cm3 mol-1 Ref. Temp (C) Molar Volume cm3 mol-1 n/a 8.62E+01 n/a Single available value Average n/a n/a n/a n/a n/a n/a 8.62E+01 n/a (Le Bas method) 86.2 86.20 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 KJ mol-1 J Mol-1 KJ mol-1 J Mol-1 KJ mol-1 J Mol-1 Ref. Temp (C) Average 2.89E+04 3.25E+04 2.99E+04 Enthalpy of Vaporisation at Normal 28.9 28900 36.04 36040 29.47 29470 normal boiling point J Mol-1 28642.17679 2.86E+04 Chemical 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 Normal Boiling 28.89 28890 Normal Boiling 30 30000 Normal Boiling (EVNBP) Boiling Point Point Point 29 29000 Point n/a n/a n/a 31 31000 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 Average 5.17E+02 n/a Insert Values n/a Insert Values n/a Insert Values n/a temperature K 507.8310394 5.08E+02 n/a Calcualted Value n/a n/a n/a 516.5 516.50 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 (ambient pressure) 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 5.44E+01 Insert Values 55.1 54.379472 Critical Pressure atm 51.19955043 5.12E+01 None stated 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 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 Air-water partition coefficient at ambient soil temperature cm 3 .cm -3 1.769E-01 10 Estimated from parameters above using Clapyron relationship or direct calculation Vapour pressure at ambient soil temperature Calculated Value Pa 22569.7142 10 Ref. Temp (C) Rationale Property Units Estimated from parameters above using Grain- Watson method Diffusion coefficient in air Calculated Value m 2 .s -1 9.09E-06 10 Ref. Temp (C) Rationale Property Units Estimated from parameters above using Wilkie-Lee method Diffusion coefficient in water Calculated Value m 2 .s -1 7.08E-10 10 Ref. Temp (C) Rationale Property Units Calculated Value Ref. Temp (C) Rationale Estimated from parameters above using Hayduk and Laudie method Organic carbonwater partition coefficient Log cm 3 .g -1 1.78 n/a Estimated from parameters above using equation in Table 2.12 of SR7 Page 1 of 1 EIC Proforma Trans 1,2 Dichloroethene.xls28/08/2009
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