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Physical & Chemical properties

Boiling point

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Endpoint:
boiling point
Type of information:
other: SDS
Adequacy of study:
weight of evidence
Reliability:
4 (not assignable)
Principles of method if other than guideline:
No method specified.
GLP compliance:
not specified
Boiling pt.:
310 °C
Atm. press.:
1 atm
Endpoint:
boiling point
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Value estimated using QSAR Toolbox
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
Principles of method if other than guideline:
Calculation based on MPBPWIN (v1.43)
GLP compliance:
no
Type of method:
other: QSAR Estimation Adapted Stein and Brown Method
Boiling pt.:
334.91 °C
Atm. press.:
1 atm
Decomposition:
no

MPBPWIN (v1.43) Program Results:

===============================

Experimental Database Structure Match: no data

SMILES : OC(C)C(=O)OCCCCCCCCCCCC

CAS#: 6283-92-7

MOL FOR: C15 H30 O3

MOL WT : 258.40

------------------------ SUMMARY MPBPWIN v1.43 --------------------

Boiling Point: 334.91 deg C (Adapted Stein and Brown Method)

Description of key information

Available data give rather similar values for the substance with respect to the boiling point. It is decided to take the value from the QSAR Toolbox as the key value for boiling point

Key value for chemical safety assessment

Boiling point at 101 325 Pa:
335 °C

Additional information