Registration Dossier
Registration Dossier
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EC number: 203-005-8 | CAS number: 102-09-0
Endpoint summary
Administrative data
Description of key information
Additional information
Transport and distribution
The organic-water partition coefficient (Koc) for diphenyl carbonate is 439, 740 and 3926, accepted calculation methods (Currenta, 2008a). This indicates a moderate to high potential for adsorption.
Diphenyl carbonate has a Henry's law constant of 0.23 Pa m³/mol, EPI-Suite (Currenta, 2008a WS/VP).
The main target compartment for diphenyl carbonate is water with 72 %, followed by soil and sediment with 11 % each, Mackay fugacity model level I (Currenta, 2008c).
Adsorption /desorption
In the key study, the organic-water partition coefficient (Koc) for diphenyl carbonate has been identified as 439, 740 and 3926, using different accepted calculation methods (Currenta, 2008a). This indicates a moderate to high potential for adsorption.
The values were calculated using PCKOC (v. 1.66) of EPI-Suite (v. 3.20) as well as according to Sabljic (1995, QSAR modelling of soil sorption, Improvements and systematics of logKoc vs. logKow correlations, Chemosphere, Vol. 31, 4498-4514) and Gerstl (1990, Estimation of organic chemical sorption by soils, Journal of Contaminant Hydrology, 6, 357-375).
The Sablijc and Gerstl methods are based on statistical relationships between Koc and the octanol/water partition coefficient (Kow); the EPI Suite calculations are based upon the molecule’s structure using the molecular connectivity method.
The Koc was determined to be 439 (Sabljic), 740 (Gerstl) and 3926 (EPI-Suite).
Henry’s Law constant
This endpoint is addressed with two studies, one key and one supporting. The distribution of diphenyl carbonate between aqueous solutions and air was derived using two different methods. The key study was selected on the basis that it was considered to be more accurate due to measured values for water solubility and vapour pressure being used for estimation.
The key study (Currenta, 2008a WS/VP) identifies the Henry's Law constant as 0.23 Pa m³/mol at 20 °C and is derived from the ratio of water solubility to vapour pressure.
In the supporting study (Currenta, 2008a bond method), a Henry’s Law constant was calculated using the bond contribution method of HENRYWin (v3.10) of EPI Suite (v3.20) of the U.S. Environmental Protection Agency.
A Henry´s law constant of 8.59 Pa m³/mol at 25 °C was obtained.
Distribution modelling
In the key study (Currenta, 2008b) the fate of diphenyl carbonate in the environment was evaluated in the Fugacity Model Mackay Level I, used to give a trend tendency of the media into which the substance will likely be distributed. The distribution of diphenyl carbonate in a "unit world" is calculated based on the physico-chemical properties.
The simulation of the multimedia model is based on the equilibrium distribution of a fixed quantity of a conserved (i.e. non-reacting) chemical, in a closed environment at equilibrium, with no degrading reactions, no advective processes, and no intermedia transport processes (e.g. no wet deposition, or sedimentation). The chemical is assumed to become instantaneously distributed to an equilibrium condition (Mackay, D: Multimedia Environmental Models, The Fugacity Approach, Lewis Publishers, Inc. Chelsea, Michigan, 1991). In the model diphenyl carbonate is treated as a type 1 chemical, i.e. the substance partitions into all environmental media. Estimation is carried out for an environmental temperature of 25 °C.
The main target compartment for diphenyl carbonate is water with 72 %, followed by soil and sediment with 11 % each.
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