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Boiling point

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Reference
Endpoint:
boiling 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: as mentioned below
Principles of method if other than guideline:
MPBPVP v1.43 was used to estimate the Boiling point of chemical 2,3-bis[(4-methylbenzoyl)oxy]succinic acid (32634-68-7)
GLP compliance:
not specified
Type of method:
other: Estimated by calculation
Specific details on test material used for the study:
- Name of test material: 2,3-bis[(4-methylbenzoyl)oxy]succinic acid
- IUPAC name: (+)-Di-p-toluoyl-D-tartaric Acid
- Molecular formula: C20H18O8
- Molecular weight: 386.3542 g/mole
- Smiles : Cc1ccc(cc1)C(=O)O[C@@H]([C@H](OC(=O)c2ccc(C)cc2)C(=O)O)C(=O)O
- Inchl: 1S/C20H18O8/c1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14/h3-10,15-16H,1-2H3,(H,21,22) (H,23,24)/t15-,16-/m0/s1
- Substance type: Organic
- Physical state: Solid powder (white)
Key result
Boiling pt.:
526.73 °C
Remarks on result:
other: Estimated value
Conclusions:
Based on prediction done using MPBPVP v1.43,the Boiling point of chemical 2,3-bis[(4-methylbenzoyl)oxy]succinic acid (32634-68-7) was estimated to be 526.73 ˚C.
Executive summary:

Based on the prediction done using the EPI Suite MPVPBP V1.43, the Boiling point of chemical 2,3-bis[(4-methylbenzoyl)oxy]succinic acid (32634-68-7) was predicted.

The boiling point of chemical 2,3-bis[(4-methylbenzoyl)oxy]succinic acid (32634-68-7) was estimated to be 526.73˚C.

Description of key information

Based on prediction done using MPBPVP v1.43, the Boiling point of chemical 2,3-bis[(4-methylbenzoyl)oxy]succinic acid (32634-68-7) was  estimated to be  526.73 ˚C.

Key value for chemical safety assessment

Boiling point at 101 325 Pa:
526.73 °C

Additional information

Based on the prediction done using the EPI Suite MPVPBP V1.43, the Boiling point of chemical 2,3-bis[(4-methylbenzoyl)oxy]succinic acid (32634-68-7) was predicted. The boiling point of chemical 2,3-bis[(4-methylbenzoyl)oxy]succinic acid (32634-68-7) was estimated to be 526.73˚C.

Other supporting data from authoritative database Scifinder, also estimated the boiling point of 2,3-bis[(4-methylbenzoyl)oxy]succinic acid (32634-68-7) as 626.5 ± 55.0 °C at 760 mmHg pressure.