Registration Dossier
Registration Dossier
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EC number: 419-710-0 | CAS number: 42774-15-2
Boiling point
Administrative data
- Endpoint:
- boiling point
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: the result is based on a QSAR approach, with a well documented model and the properties of the substance well within the applicability domain of the model
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other: EPI Suite
- Title:
- EPI Suite vs 4.1
- Author:
- USA
- Year:
- 2 011
- Bibliographic source:
- US EPA 2011. Estimation Programs Interface Suite for Microsoft Windows v 4.10 United States Environmenta Protection Agency, Washington, DC, USA.
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: Stein and Brown Method
Test material
- Reference substance name:
- N,N'-bis(2,2,6,6-tetramethyl-4-piperidyl)isophthalamide
- EC Number:
- 419-710-0
- EC Name:
- N,N'-bis(2,2,6,6-tetramethyl-4-piperidyl)isophthalamide
- Cas Number:
- 42774-15-2
- Molecular formula:
- C26H42N4O2
- IUPAC Name:
- N,N'-bis(2,2,6,6-tetramethyl-4-piperidyl)isophthalamide
- Test material form:
- solid: particulate/powder
- Remarks:
- migrated information: powder
Constituent 1
Results and discussion
Boiling point
- Boiling pt.:
- 644.06 °C
Any other information on results incl. tables
Experimental Database Structure Match: no data
SMILES : O=C(NC1CC(C)(C)NC(C)(C)C1)c2cccc(C(=O)(NC3CC(C)(C)NC(C)(C)C3))c2
CHEM :
MOL FOR: C26 H42 N4 O2
MOL WT : 442.65
------------------------ SUMMARY MPBPWIN v1.43 --------------------
Boiling Point: 644.06 deg C (Adapted Stein and Brown Method)
-------+-----+--------------------+----------+---------
TYPE | NUM | BOIL DESCRIPTION | COEFF | VALUE
-------+-----+--------------------+----------+---------
Group | 8 | -CH3 | 21.98 | 175.84
Group | 4 | -CH2- (ring) | 26.44 | 105.76
Group | 2 | >CH- (ring) | 21.66 | 43.32
Group | 4 | >C< (ring) | 11.12 | 44.48
Group | 2 | >NH (ring) | 65.50 | 131.00
Group | 4 | CH (aromatic) | 28.53 | 114.12
Group | 2 | -C (aromatic) | 30.76 | 61.52
Group | 2 | -C(=O)NH- | 225.09 | 450.18
* | | Equation Constant | | 198.18
=============+====================+==========+=========
RESULT-uncorr| BOILING POINT in deg Kelvin | 1324.40
RESULT- corr | BOILING POINT in deg Kelvin | 917.22
| BOILING POINT in deg C | 644.06
-------------------------------------------------------
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.
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