Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 944-341-1 | CAS number: -
Boiling point
Administrative data
Link to relevant study record(s)
- Endpoint:
- boiling point
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 28-09-2017
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
- Justification for type of information:
- 1. SOFTWARE
EPI Suite v.4.11
2. MODEL (incl. version number) - MPBPVP v1.43
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
SMILES : O=C(CC1C(=O)(O[Ca]([Na])OC(=O)(C(CC(=O)O([Na]))N1)))O
MOL FOR: C8 H8 N1 O8 Na2 Ca1
MOL WT : 332.21
CAS: 1629244-35-4
https://www.epa.gov/tsca-screening-tools/using-predictive-methods-assess-exposure-and-fate-under-tsca - Principles of method if other than guideline:
- Result obtained by calculation in computer program EPI Suite v.4.11 MPBPVP v1.43
- Type of method:
- other: calculation in computer program EPI Suite v4.11 MPBPVP v1.43
- Remarks:
- adapted Stein & Brow method
- Boiling pt.:
- 885.86 °C
- Remarks on result:
- other: calculation in computer program
- Conclusions:
- The boiling point value for target substance estimated by coputer program EPI Suite v4.11, MPBPVP v1.43 is 885.86 oC.
- Executive summary:
The EPI Suite v.4.11 MPBPVP v1.43 computer program was used for boiling point estimation for substance CaIDHA. The value 885.86oC was calculated.
Reference
Description of key information
The EPI Suite v.4.11 MPBPVP v1.43 computer program was used for boiling point estimation for substance CaIDHA. The value 885.86 oC was calculated.
Key value for chemical safety assessment
- Boiling point at 101 325 Pa:
- 885.86 °C
Additional information
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.
