Registration Dossier
Registration Dossier
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EC number: 210-848-5 | CAS number: 624-48-6
Adsorption / desorption
Administrative data
- Endpoint:
- adsorption / desorption, other
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- other information
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Accepted calculation method
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 009
- Report date:
- 2009
Materials and methods
- Principles of method if other than guideline:
- PCKOCWIN v. 1.66 (2000)
- GLP compliance:
- no
- Type of method:
- other: calculated
- Media:
- soil
Test material
- Reference substance name:
- Dimethyl maleate
- EC Number:
- 210-848-5
- EC Name:
- Dimethyl maleate
- Cas Number:
- 624-48-6
- Molecular formula:
- C6H8O4
- IUPAC Name:
- dimethyl (Z)-but-2-enedioate
- Details on test material:
- - Name of test material (as cited in study report): dimethyl maleate
- Analytical purity: not applicable
SMILES : O=C(OC)C=CC(=O)OC
CHEM : 2-Butenedioic acid (Z)-, dimethyl ester
MOL FOR: C6 H8 O4
MOL WT : 144.13
Constituent 1
Study design
Batch equilibrium or other method
- Computational methods:
- --------------------------- KOCWIN v2.00 Results ---------------------------
Koc Estimate from Log Kow:
-------------------------
Log Kow (experimental DB) ......................... : 0.74
Koc Estimate from MCI:
---------------------
First Order Molecular Connectivity Index ........... : 4.702
Results and discussion
Adsorption coefficientopen allclose all
- Type:
- Koc
- Value:
- 15.97
- Type:
- log Koc
- Value:
- 1.203
Any other information on results incl. tables
Koc Estimate from Log Kow:
-------------------------
Log Kow (experimental DB) ......................... : 0.74
Non-Corrected Log Koc (0.55313 logKow + 0.9251) .... : 1.3344
Fragment Correction(s):
2 Ester (-C-CO-O-C-) or (HCO-O-C) ...... : -0.1312
Corrected Log Koc .................................. : 1.2032
Estimated Koc: 15.97 L/kg <===========
Additionally:
Koc Estimate from MCI:
---------------------
First Order Molecular Connectivity Index ........... : 4.702
Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 3.0509
Fragment Correction(s):
2 Ester (-C-CO-O-C-) or (HCO-O-C) ...... : -2.5939
Corrected Log Koc .................................. : 0.4570
Over Correction Adjustment to Lower Limit Log Koc ... : 1.0000
Estimated Koc: 10 L/kg <===========
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Applicant's summary and conclusion
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
