Registration Dossier

Physical & Chemical properties

Melting point / freezing point

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
melting point/freezing 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:
according to
Guideline:
other: Estimated data
Principles of method if other than guideline:
MPBPVP v1.43 was used to estimate the Melting point of chemical 2-chlorobenzene-1,4-diammonium sulphate
GLP compliance:
not specified
Type of method:
other: Estimated by calculation
Specific details on test material used for the study:
- Name of test material: 2-chlorobenzene-1,4-diammonium sulphate
- IUPAC name: 2-chlorobenzene-1,4-diammonium sulphate
- Molecular formula: C6H7ClN2.xH2O4S
- Molecular weight: 240.6661 g/mole
- Smiles : S(=O)(=O)(O)O.c1(c(ccc(c1)N)N)Cl
- Inchl: 1S/C6H7ClN2.H2O4S/c7-5-3-4(8)1-2-6(5)9;1-5(2,3)4/h1-3H,8-9H2;(H2,1,2,3,4)
- Substance type: Organic
- Physical state: Solid (Light grey powder)
Key result
Melting / freezing pt.:
239.18 °C
Remarks on result:
other: Estimated value
Conclusions:
Based on prediction done using MPBPVP v1.43, the melting point of chemical 2-chlorobenzene-1,4-diammonium sulphate was estimated to be 239.18 ˚C.
Executive summary:

Based on the prediction done using the EPI Suite MPVPBP V1.43, the melting point of chemical 2-chlorobenzene-1,4-diammonium sulphate was predicted.

The melting point of chemical 2-chlorobenzene-1,4-diammonium sulphate was estimated to be 239.18 ˚C.

Description of key information

Based on prediction done using MPBPVP v1.43, the melting point of chemical 2-chlorobenzene-1,4-diammonium sulphate was  estimated to be 239.18 ˚C.

Key value for chemical safety assessment

Melting / freezing point at 101 325 Pa:
239.18 °C

Additional information

Based on the prediction done using the EPI Suite MPVPBP V1.43, the melting point of chemical 2-chlorobenzene-1,4-diammonium sulphate was predicted.

The melting point of chemical 2-chlorobenzene-1,4-diammonium sulphate was estimated to be 239.18 ˚C.