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Administrative data

Endpoint:
vapour pressure
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
other: QSAR; vapour pressure can reliably be estimated if reliable (measured) data for melting point and boiling point are available.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2010

Materials and methods

Principles of method if other than guideline:
QSAR selected by EPI Suite
GLP compliance:
not specified
Type of method:
other: QSAR - modified Grain method

Test material

Constituent 1
Chemical structure
Reference substance name:
(3S-cis)-3,6-dimethyl-1,4-dioxane-2,5-dione
EC Number:
224-832-0
EC Name:
(3S-cis)-3,6-dimethyl-1,4-dioxane-2,5-dione
Cas Number:
4511-42-6
Molecular formula:
C6H8O4
IUPAC Name:
3,6-dimethyl-1,4-dioxane-2,5-dione

Results and discussion

Vapour pressure
Temp.:
25 °C
Vapour pressure:
0.28 Pa
Remarks on result:
other: Estimation of vapour pressure is reliable if reliable values for melting point and boiling point are available.

Applicant's summary and conclusion

Conclusions:
Vapour pressure is 0.28 pa @ 25°C; note that this is supposed to be the vapour pressure of the solid. The (hypothetical) vapour pressure of the supercooled liquid at 25°C is 1.4 Pa.

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