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Vapour pressure

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vapour pressure
Type of information:
Adequacy of study:
key study
Study period:
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
no guideline required
Principles of method if other than guideline:
(Q)SAR model validated by the U.S. EPA and included in the OECD (Q)SAR Toolbox for filling data requirements of REACH.
GLP compliance:
Type of method:
static method
Specific details on test material used for the study:
No test material used
CAS: 2057-49-0
SMILES: n(ccc(c1)CCCc(cccc2)c2)c1
Key result
Test no.:
25 °C
Vapour pressure:
< 0.023 Pa
Remarks on result:
other: estimated

Vapour pressure of the test material at 25oC is estimated to be 0.0228 Pa.

------------------------ SUMMARY MPBVP v1.43 --------------------



Boiling Point: 306.96 deg C (Adapted Stein and Brown Method)


Melting Point:  98.76 deg C (Adapted Joback Method)

Melting Point:  65.57 deg C (Gold and Ogle Method)

Mean Melt Pt :  82.17 deg C (Joback; Gold,Ogle Methods)

Selected MP:  82.17 deg C (Mean Value)


Vapor Pressure Estimations (25 deg C):

(Using BP: 322.00 deg C (exp database))

(Using MP: 82.17 deg C (estimated))

VP: 0.00011 mm Hg (Antoine Method)

: 0.0146 Pa (Antoine Method)

VP: 0.000171 mm Hg (Modified Grain Method)

: 0.0228 Pa (Modified Grain Method)

VP: 0.000316 mm Hg (Mackay Method)

: 0.0422 Pa (Mackay Method)

Selected VP: 0.000171 mm Hg (Modified Grain Method)

: 0.0228 Pa (Modified Grain Method)

Subcooled liquid VP: 0.000602 mm Hg (25 deg C, Mod-Grain method)

: 0.0803 Pa (25 deg C, Mod-Grain method)


Vapour pressure of the test material at 25°C is estimated to be < 0.0228 Pa.

Description of key information

<0.0228 Pa at 25 °C

Key value for chemical safety assessment

Vapour pressure:
0.023 Pa
at the temperature of:
25 °C

Additional information

Vapour pressure is estimated as < 0.0228 Pa using MPBPVP v 1.43 in EPI-Suite v.4.11.