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Physical & Chemical properties

Boiling point

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Reference
Endpoint:
boiling point
Type of information:
(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:
1. SOFTWARE: Epi Suite

2. MODEL (incl. version number): MPBPWIn v1.43

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL: C(CO)N(CCO)C(CO)(CO)CO

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL: not required (as the study does not need to be conducted for substances that decompose before boiling)

5. APPLICABILITY DOMAIN: not required (as the study does not need to be conducted for substances that decompose before boiling)

6. ADEQUACY OF THE RESULT: not applicable (endpoint is not relevant for classification and labelling and risk assessment)
Qualifier:
no guideline followed
Principles of method if other than guideline:
The boiling point was estimated by an atom/fragment contribution method using the software MPBPWIN Version v1.43 using the SMILES C(CO)N(CCO)C(CO)(CO)CO.
Type of method:
other: Calculation with MPBPWIM v1.43
Remarks:
As the substance decomposes before melting, a boiling point cannot be determined experimentally. Therefore, it was calculated.
Specific details on test material used for the study:
not applicable
Key result
Boiling pt.:
ca. 412.13 °C
Atm. press.:
ca. 760 mm Hg
Decomposition:
yes
Remarks:
As the substance decomposes before boiling, a boiling point cannot be determined experimentally. Therefore, it was calculated.
Decomp. temp.:
ca. 250 °C

Since the substance decomposes before melting, a boiling point could not be determined experimentally. Therefore, it was calculated using MPBPWIN v1.43.

The boiling point was calculated as 412.13°C.

Executive summary:

Since the substance decomposes before melting, a boiling point could not be determined experimentally. Therefore, it was calculated using MPBPWIN v1.43.

The boiling point was calculated as 412.13°C.

Description of key information

Since the substance decomposes before boiling, a boiling point could not be determined experimentally. Therefore, it was calculated using MPBPWIN v1.43.

The boiling point was calculated as 412.13°C.

Key value for chemical safety assessment

Boiling point at 101 325 Pa:
412.13 °C

Additional information