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Diss Factsheets

Physical & Chemical properties

Melting point / freezing point

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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:
Calculation for melting point was performed with software tool MPBPWIN v1.43, accepted estimation program from ECHA Guidelines
Principles of method if other than guideline:
MPBPWIN v1.43; part of: Estimation Programs Interface (EPI) Suite TM
Key result
Melting / freezing pt.:
64 °C
Conclusions:
Calculation for melting point with software tool MPBPWIN v1.43 : 64 °C.
Endpoint:
melting point/freezing point
Type of information:
read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
Since the test item is a reaction mass of hexadecanoic anhydride and hexadecanoic acid, hexadecanoic anhydride was used for the read-across.
Calculation for melting point was performed with software tool MPBPWIN v1.43, accepted estimation program from ECHA Guidelines
Reason / purpose for cross-reference:
read-across source
Principles of method if other than guideline:
MPBPWIN v1.43; part of: Estimation Programs Interface (EPI) Suite TM
Key result
Melting / freezing pt.:
64 °C
Conclusions:
Calculation for melting point with software tool MPBPWIN v1.43 : 64 °C.
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:
Calculation for melting point was performed with software tool MPBPWIN v1.43, accepted estimation program from ECHA Guidelines
Principles of method if other than guideline:
MPBPWIN v1.43; part of: Estimation Programs Interface (EPI) Suite TM
Key result
Melting / freezing pt.:
61.8 °C
Conclusions:
Calculation for melting point with software tool MPBPWIN v1.43 : 61.8 °C.
Endpoint:
melting point/freezing point
Type of information:
read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
Since the test item is a reaction mass of hexadecanoic anhydride and hexadecanoic acid, hexadecanoic acid was used for the read-across.
Calculation for melting point was performed with software tool MPBPWIN v1.43, accepted estimation program from ECHA Guidelines
Reason / purpose for cross-reference:
read-across source
Principles of method if other than guideline:
MPBPWIN v1.43; part of: Estimation Programs Interface (EPI) Suite TM
Key result
Melting / freezing pt.:
61.8 °C
Conclusions:
Calculation for melting point with software tool MPBPWIN v1.43 : 61.8 °C.

Description of key information

The melting point of the test item reaction mass of hexadecanoic anhydride and hexadecanoic

acid was calculated based on read-across to hexadecanoic anhydride and hexadecanoic acid.

Calculation for melting point with software tool MPBPWIN v1.43 for hexadecanoic anhydride: 64 °C

Calculation for melting point with software tool MPBPWIN v1.43 for hexadecanoic acid: 61.8 °C

The melting point for the test item reaction mass of hexadecanoic anhydride and hexadecanoic acid could be included between these values, therofore circa 62.9 °C.

Key value for chemical safety assessment

Melting / freezing point at 101 325 Pa:
62.9 °C

Additional information