Registration Dossier

Physical & Chemical properties

Vapour pressure

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
vapour pressure
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
2012
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 limited documentation / justification
Justification for type of information:
Estimated data are obtained from a reliable (Q)SAR program developed and validated by the United States Environmental Protection Agency (U.S. EPA). This program is included in the OECD (Q)SAR Toolbox for use in filling REACH data gaps.
Qualifier:
no guideline followed
Principles of method if other than guideline:
Estimated data are obtained from a reliable (Q)SAR program developed and validated by the United States Environmental Protection Agency (U.S. EPA). This program is included in the OECD (Q)SAR Toolbox for use in filling REACH data gaps.
GLP compliance:
no
Type of method:
other: Not specified
Specific details on test material used for the study:
N(CCC(C1)CCCC(CCNC2)C2)C1. No test material used.
Key result
Test no.:
#1
Temp.:
25 °C
Vapour pressure:
0.022 < Pa

SMILES : N(CCC(C1)CCCC(CCNC2)C2)C1

CHEM  : Piperidine, 4,4 -(1,3-propanediyl)bis-

MOL FOR: C13 H26 N2

MOL WT : 210.37

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

 

 

Boiling Point: 322.65 deg C (Adapted Stein and Brown Method)

 

Melting Point: 187.93 deg C (Adapted Joback Method)

Melting Point:  74.73 deg C (Gold and Ogle Method)

Mean Melt Pt : 131.33 deg C (Joback; Gold,Ogle Methods)

 Selected MP: 103.03 deg C (Weighted Value)

 

Vapor Pressure Estimations (25 deg C):

 (Using BP: 329.00 deg C (exp database))

 (Using MP: 67.10 deg C (exp database))

   VP: 9.92E-005 mm Hg (Antoine Method)

     : 0.0132 Pa (Antoine Method)

   VP: 0.000166 mm Hg (Modified Grain Method)

     : 0.0222 Pa (Modified Grain Method)

   VP: 0.000308 mm Hg (Mackay Method)

     : 0.0411 Pa (Mackay Method)

 Selected VP: 0.000166 mm Hg (Modified Grain Method)

            : 0.0222 Pa (Modified Grain Method)

 Subcooled liquid VP: 0.000413 mm Hg (25 deg C, Mod-Grain method)

                    : 0.0551 Pa (25 deg C, Mod-Grain method)

Conclusions:
The vapour pressure of the test substance at 25.0°C is estimated to be 0.0222 Pa.

Description of key information

0.0222 Pa (est.) at 25 °C

Key value for chemical safety assessment

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

Additional information

Estimated using BPMPMP v.1.43 in EPI-Suite v.4.11