Phosphinylidynetrimethanol

Vapour pressure

Link to relevant study record(s)

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:

1. SOFTWARE
EPIWIN v4.1

2. MODEL (incl. version number)
MPBPWIN v1.43

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
OCP(=O)(CO)CO

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
please refer to the attached QMRF

5. APPLICABILITY DOMAIN
please refer to the attached QPRF

Guideline:

other: ECHA Guidance R.6

Principles of method if other than guideline:

- Software tool(s) used including version: EPIWIN v4.1
- Model(s) used: MPBPWIN v1.43
- Model description: see field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification'

Specific details on test material used for the study:

OCP(=O)(CO)CO

Temp.:

25 °C

Vapour pressure:

0.001 Pa

Currently there is no universally accepted definition of model domain. However, users may wish to consider the possibility that property estimates are less accurate for compounds outside the Molecular Weight range of the training set compounds, and/or that have more instances of a given fragment than the maximum for all training set compounds. It is also possible that a compound may have a functional group(s) or other structural features not represented in the training set, and for which no fragment coefficient was developed. These points should be taken into consideration when interpreting model results. The query substance falls within the molecular weight range of the training set. Therefore, it lies within the applicability domain of this model.

Conclusions:

vapour pressure at 25°C predicted by MPBPWIN v1.43 (US EPA): 5.4E-6 mm Hg (0.000721 Pa; modified Grain method).

Executive summary:

The vapour pressure was predicted by MPBPWIN v1.43 implemented in EPIWIN v4.1 (US EPA). The vapour pressure at 25°C was predicted to be 5.4E-6 mm Hg (0.000721 Pa; modified Grain method).

Description of key information

vapour pressure at 25°C [predicted with MpBpWin v1.43 (US EPA, 2000)]: 5.4E-6 mm Hg (0.000721 Pa) [Modified Grain Method]

Key value for chemical safety assessment

Vapour pressure:

0.001 Pa

at the temperature of:

25 °C

Additional information

The vapour pressure was predicted with MpBpWin v1.43 (US EPA).

A reliability score of 2 was assigned, in accordance with the criteria for assigning data quality in line with the principles described by Klimisch (1997) and ECHA`s Practical guide [How to use and report (Q)SARs, Version 3.1, July 2016] that defines a maximum of 2.