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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.

Diss Factsheets

Physical & Chemical properties

Melting point / freezing point

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Administrative data

Endpoint:
melting point/freezing point
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: peer reviewed data base
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
secondary source
Title:
DIPPR Project 801 - Full Version
Author:
Design Institute for Physical Properties, Sponsored by AIChE
Year:
2005
Bibliographic source:
© 2009 Knovel Corporation. All rights reserved.

Materials and methods

Test guideline
Deviations:
not specified
Principles of method if other than guideline:
other: calculated
GLP compliance:
not specified

Test material

Constituent 1
Chemical structure
Reference substance name:
1-(1,1-dimethylethoxy)-2-methylpropane
EC Number:
251-347-1
EC Name:
1-(1,1-dimethylethoxy)-2-methylpropane
Cas Number:
33021-02-2
Molecular formula:
C8H18O
IUPAC Name:
1-(tert-butoxy)-2-methylpropane

Results and discussion

Melting / freezing point
Melting / freezing pt.:
-86 °C
Remarks on result:
other: Estimated by the method of Constantinou (Constantinou, L., Gani, R., New Group Contribution Method for Estimating Properties of Pure Compounds. AIChE J. 40, 1697 (1994))

Applicant's summary and conclusion