4-(3-phenylpropyl)pyridine

Vapour pressure

Link to relevant study record(s)

Reference

Endpoint:

vapour pressure

Type of information:

(Q)SAR

Adequacy of study:

key study

Study period:

2014

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

Qualifier:

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:

yes

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.:

#1

Temp.:

25 °C

Vapour pressure:

< 0.023 Pa

Remarks on result:

other: estimated

Vapour pressure of the test material at 25^oC 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)

 

Conclusions:

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.