Registration Dossier

Diss Factsheets

Physical & Chemical properties

Boiling point

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
boiling point
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 developed by USEPA
Qualifier:
no guideline available
Principles of method if other than guideline:
MPBPVP v1.43 was used to estimate the Boiling point of chemical sodium 4-(2-methylprop-2-en-1-yl)benzenesulfonate.
GLP compliance:
no
Type of method:
other: Estimated by calculation
Specific details on test material used for the study:
- Name of test material :sodium 4-(2-methylprop-2-en-1-yl)benzenesulfonate
- Molecular formula: C10H12O4SNa
- Molecular weight : 250.249 g/mol
- Smiles notation : S(=O)(=O)([O-])c1ccc(OCC(C)=C)cc1.[Na+]
- InChl:1S/C10H12O4S.Na/c1-8(2)7-14-9-3-5-10(6-4-9)15(11,12)13;/h3-6H,1,7H2,2H3,(H,11,12,13);/q;+1/p-1
- Substance type:Organic
- Physical state:Solid
Key result
Boiling pt.:
564 °C
Decomposition:
no
Remarks on result:
other: Estimated value
Conclusions:
Based on prediction done using MPBPVP v1.43,the boiling point of chemical sodium 4-(2-methylprop-2-en-1-yl)benzenesulfonate was estimated to be 564 ˚C.
Executive summary:

Based on the prediction done using the EPI Suite MPVPBP V1.43, the boiling point of chemical sodium 4-(2-methylprop-2-en-1-yl)benzenesulfonate was predicted. The boiling point of chemical sodium 4-(2-methylprop-2-en-1-yl)benzenesulfonate was estimated to be 564 ˚C.

Description of key information

Based on the prediction done using the EPI Suite MPVPBP V1.43,the Boiling point of chemical sodium 4-(2-methylprop-2-en-1-yl)benzenesulfonate was predicted. The boiling point of chemical sodium 4-(2-methylprop-2-en-1-yl)benzenesulfonate was estimated to be 564 ˚C

Key value for chemical safety assessment

Boiling point at 101 325 Pa:
564 °C

Additional information

Based on the prediction done using the EPI Suite MPVPBP V1.43,the Boiling point of chemical sodium 4-(2-methylprop-2-en-1-yl)benzene sulfonate was predicted. The boiling point of chemical sodium 4-(2-methylprop-2-en-1-yl)benzene sulfonate was estimated to be 564 ˚C.

Categories Display