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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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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Reference
Endpoint:
vapour pressure
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
The substance is a hydrocarbon UVCB. Standard tests for this endpoint are intended for single substances and are not appropriate for this complex substance. However, this endpoint is characterised using quantitative structure property relationships for representative hydrocarbon structures that comprise the hydrocarbon blocks used to assess the environmental risk of this substance with the PETRORISK model (see Product Composition in PETRORISK report attached in IUCLID section 13).
Qualifier:
no guideline required
Principles of method if other than guideline:
Model(s) used: PETRORISK v7.04 that incorporates the updated TLM that resulted from the 2014 – 2016 Concawe projects performed in response to an ECHA compliance check
GLP compliance:
no
Remarks:
(Q)SAR
Key result
Vapour pressure:
6.5 kPa
Remarks on result:
other: temperature is not calculated
Conclusions:
Vapour pressure has been calculated using Petrorisk. The vapour pressure of this substance is 6.5 kPa.
Executive summary:

The substance is a hydrocarbon UVCB. Standard tests for this endpoint are intended for single substances and are not appropriate for this complex substance. However, this endpoint is characterised using quantitative structure property relationships for representative hydrocarbon structures that comprise the hydrocarbon blocks used to assess the environmental risk of this substance with the PETRORISK model (see Product Composition in PETRORISK report attached in IUCLID section 13).

Vapour pressure has been calculated using Petrorisk. The vapour pressure of this substance is estimated to be 6.5 kPa.

Description of key information

Hydrocarbons, C6 -C10 (even numbered), n-alkanes, isoalkanes, >5% n-hexane are hydrocarbon UVCBs. Standard tests for this endpoint are intended for single substances and are not appropriate for this complex substance. However, this endpoint is fulfilled using quantitative structure property relationships for representative hydrocarbon structures that comprise the hydrocarbon blocks used to assess the environmental risk of this substance with the PETRORISK model (see Product Composition in PETRORISK report attached in IUCLID section 13).

Vapour pressure has been calculated using Petrorisk. The vapour pressure of Hydrocarbons, C6-C10 (even numbered), n-alkanes, isoalkanes, >5% n-hexane is estimated to be 6.5 kPa.

Key value for chemical safety assessment

Additional information