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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Vapour pressure

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Administrative data

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Endpoint:
vapour pressure
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Accepted calculation method.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
Qualifier:
no guideline followed
Principles of method if other than guideline:
Calculation with use of SPARC online calculator v 4.6, self interaction physical process models for estimation of saturated vapour pressure.
GLP compliance:
no
Type of method:
other: QSAR
Key result
Temp.:
20 °C
Vapour pressure:
0 Pa

QSAR result; transition/decomposition is not specified/reported. For detailed description of the model and its applicability, see "Any other information on materials and methods incl. tables".

Endpoint:
vapour pressure
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Accepted calculation method.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
Qualifier:
no guideline followed
Principles of method if other than guideline:
Calculation with use of SPARC online calculator v 4.6, self interaction physical process models for estimation of saturated vapour pressure.
GLP compliance:
no
Type of method:
other: QSAR
Key result
Temp.:
20 °C
Vapour pressure:
0 Pa

QSAR result; transition/decomposition is not specified/reported. For detailed description of the model and its applicability, see "Any other information on materials and methods incl. tables".

Description of key information

<0.0001 Pa at 20 °C; based on read-across from supporting substance (structural analogue or surrogate).

Key value for chemical safety assessment

Vapour pressure:
0 Pa
at the temperature of:
20 °C

Additional information

The density of the substance Decanoic acid, mixed esters with neopentyl glycol and octanoic acid (CAS 70693-32-2) was determined by QSAR calculation with SPARC (v4.6) for the single components.