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Physical & Chemical properties

Melting point / freezing point

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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
Reference:
Composition 0
Composition 0
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 2-ethoxynaphthalene-1-carbonyl chloride
GLP compliance:
not specified
Type of method:
other: Estimated by calculation
Test material information:
Composition 1
Specific details on test material used for the study:
- Name of test material : 2-ethoxynaphthalene-1-carbonyl chloride
- Molecular formula : C13H11ClO2
- Molecular weight : 234.681 g/mol
- Smiles notation : O=C(c1c2c(cccc2)ccc1OCC)Cl
- InChl : 1S/C13H11ClO2/c1-2-16-11-8-7-9-5-3-4-6-10(9)12(11)13(14)15/h3-8H,2H2,1H3
- Substance type: Organic
- Physical state: Solid
Key result
Melting / freezing pt.:
108.02 °C
Decomposition:
no
Sublimation:
no
Remarks on result:
other: Estimated value
Conclusions:
Based on prediction done using MPBPVP v1.43, the melting point of 2-ethoxynaphthalene-1-carbonyl chloride was estimated to be 108.02 Deg C.
Executive summary:

Based on the prediction done using the EPI Suite MPVPBP V1.43,the melting point of 2-ethoxynaphthalene-1-carbonyl chloride was predicted.

The melting point of 2-ethoxynaphthalene-1-carbonyl chloride was estimated to be 108.02 ˚C.

Description of key information

Based on prediction done using MPBPVP v1.43, the melting point of 2-ethoxynaphthalene-1-carbonyl chloride was  estimated to be 108.02 Deg C.

Key value for chemical safety assessment

Melting / freezing point at 101 325 Pa:
108.02 °C

Additional information

Based on the prediction done using the EPI Suite MPVPBP V1.43,the melting point of 2-ethoxynaphthalene-1-carbonyl chloride was predicted.

The melting point of 2-ethoxynaphthalene-1-carbonyl chloride was estimated to be 108.02 ˚C.