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Diss Factsheets

Physical & Chemical properties

Melting point / freezing point

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Administrative data

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Endpoint:
melting point/freezing point
Type of information:
experimental study
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Qualifier:
according to guideline
Guideline:
other: no guideline available (Handbook data)
GLP compliance:
not specified
Type of method:
other: not specified method
Decomposition:
yes
Decomp. temp.:
150 °C
Conclusions:
The test item decomposes at 150 °C.
Endpoint:
melting point/freezing point
Type of information:
experimental study
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Qualifier:
according to guideline
Guideline:
other: no guideline available (Handbook data)
GLP compliance:
not specified
Type of method:
other: not specified method
Key result
Decomp. temp.:
>= 150 - <= 160 °C
Conclusions:
The test item decomposes at 150-160°C on heating in air.
Endpoint:
melting point/freezing point
Type of information:
experimental study
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Qualifier:
according to guideline
Guideline:
other: no guideline available (Handbook data)
GLP compliance:
not specified
Type of method:
other: not specified method
Decomposition:
yes
Decomp. temp.:
>= 190 °C
Conclusions:
The test item decomposes around 190 °C.
Endpoint:
melting point/freezing point
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
1. SOFTWARE AND MODEL
OPERA-Model for Melting Point
OPERA v1.5

2. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
SMILES : C1(=O)(C(=O)[O-])O[Fe]O
NAME : iron oxalate
CAS Number : 516-03-0

3. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See QMRF_MeltingPoint_ironoxalate-OPERA_Q17-11-0015

4. APPLICABILITY DOMAIN
See QMRF_MeltingPoint_ironoxalate-OPERA_Q17-11-0015
Guideline:
other:
Version / remarks:
REACH guidance on QSARs R.6
Principles of method if other than guideline:
- Software tool(s) used including version: OPERA-model for Melting Point
- Model(s) used: v1.5 (2016)
- Model description: see field 'Justification for type of information"
- Justification of QSAR prediction: see field 'Attached justification'
GLP compliance:
no
Specific details on test material used for the study:
SMILES : C1(=O)(C(=O)[O-])O[Fe]O
Melting / freezing pt.:
ca. 142 °C
Remarks on result:
other: QSAR predicted value

OPERA predicted that iron oxalate has a Melting point = 142°C

Conclusions:
OPERA predicted that iron oxalate has a Melting point = 142°C
Executive summary:

OPERA predicted that iron oxalate has a Melting point = 142°C

Description of key information

The test item decomposes from 150 °C.

Key value for chemical safety assessment

Melting / freezing point at 101 325 Pa:
150 °C

Additional information