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Vapour pressure

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Reference
Endpoint:
vapour pressure
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
data is from modelling database
Reference:
Composition 0
Qualifier:
according to
Guideline:
other: estimated data
Principles of method if other than guideline:
MPBPVP v1.43 was used to estimate the vapour pressure of Nicotine sulphate
GLP compliance:
not specified
Type of method:
other: estimated data
Test material information:
Composition 1
Specific details on test material used for the study:
- Name of test material : Nicotine sulphate
- IUPAC name : 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine; sulfuric acid
- Molecular formula : C10H16N2O4S
- Molecular weight : 422.547 g/mol
- Smiles notation : CN1CCC[C@H]1c2cccnc2.CN 3CCC[C@H]3c4cccnc4.OS(=O)(=O)O
- InChl : 1S/2C10H14N2.H2O4S/c2* 1-12-7-3-5-10(12)9-4-2-6-11-8-9;1-5(2,3)4/h2*2,4,6,8,10H,3 ,5,7H2,1H3;(H2,1,2,3,4)/t2*10-;/m00./s1
- Substance type : Organic
- Physical state : Solid
Key result
Test no.:
#1
Temp.:
25 °C
Vapour pressure:
2.853 Pa
Remarks on result:
other: Estimated data
Conclusions:
The estimated vapour pressure of Nicotine sulphate at 25 deg C was 2.853 Pa.
Executive summary:

Modified Grain method was used to estimate the vapour pressure of Nicotine sulphate using MPBPVP v1.43 of EPI SUITE.

The estimated vapour pressure of nicotine sulphate at 25 deg C was 2.853 Pa.

Description of key information

The estimated vapour pressure of Nicotine sulphate at 25 deg C was 2.853 Pa.

Key value for chemical safety assessment

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

Additional information

Modified Grain method was used to estimate the vapour pressure of Nicotine sulphate using MPBPVP v1.43 of EPI SUITE.

The estimated vapour pressure of nicotine sulphate at 25 deg C was 2.853 Pa.