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Vapour pressure

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Administrative data

Endpoint:
vapour pressure
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: QSAR calculation, limitations in design and/or reporting but otherwise adequte for assessment.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: QSAR
Title:
MPBPVP v1.43
Author:
United States Environmental Protection Agency
Year:
2009
Bibliographic source:
Estimation Programs Interface (EPI) Suite, v4.00 developed by the US Environmental Protection Agency's Office of Pollution Prevention and Toxics and Syracuse Research Corporation (SRC)

Materials and methods

Principles of method if other than guideline:
The vapour pressure was estimated in EPISuite v4.0 (2009) using MPBPVP v1.43. For solids, the vapour pressure is calculated by the modified Grain method, as described in Lyman (1985), which is a modification and significant improvement of the modified Watson method. The vapour pressure for solids is calculated using the melting point, to convert the liquid-phase vapour pressure to the solid-phase vapour pressure and estimation error can be introduced by poor melting point estimates or values. The accuracy of MPBPWIN's "suggested" vapour pressure estimate was tested on a dataset of 3037 compounds with known, experimental vapour pressure values between 15 and 30°C, taken from EPISuite’s PHYSPROP Database. Currently there is no universally accepted definition of model domain, though property estimates are potentially less accurate for compounds outside the Molecular Weight range of the training set compounds, and/or compounds with more of a given fragment than the maximum for all training set compounds. When interpreting results, it should also be considered whether 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.
Reference: Lyman, W.J. 1985. In: Environmental Exposure From Chemicals. Volume I., Neely,W.B. and Blau,G.E. (eds), Boca Raton, FL: CRC Press, Inc., Chapter 2.
GLP compliance:
no
Type of method:
other: QSAR

Test material

Constituent 1
Reference substance name:
Lithium myristate
EC Number:
243-743-8
EC Name:
Lithium myristate
Cas Number:
20336-96-3
IUPAC Name:
lithium myristate
Test material form:
not specified
Details on test material:
No data reported

Results and discussion

Vapour pressure
Temp.:
25 °C
Vapour pressure:
0 Pa
Remarks on result:
other: Selected QSAR value using Modified Grain Method

Applicant's summary and conclusion

Conclusions:
The vapour pressure of lithium myristate is estimated to be 2.29 E-12 Pa at 25°C.
Executive summary:

The vapour pressure of lithium myristate was estimated using a QSAR model (MPBPVP v1.43 in EPISuite v4.00, US EPA 2009), following the Modified Grain Method. The vapour pressure of lithium myristate is estimated to be below the limits of detection of the test methods.

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