Dioctyl oxalate
Basic information
- CAS
20760-45-6- Standard SMILES
CCCCCCCCOC(=O)C(=O)OCCCCCCCC- InChIKey
PEJVLWCOQVHCAF-UHFFFAOYSA-N- Molecular formula
- C18H34O4
- Average molar mass
- 314.5 g/mol
- Monoisotopic mass
- 314.24570956
Names & identifiers
- Preferred name
- Dioctyl oxalate
- IUPAC
- dioctyl oxalate
- English name
- dioctyl oxalate
- Molecular formula
- C18H34O4
- Molecular weight
- 314.46
Names & synonyms
Dioctyl oxalate20760-45-6dioctyl ethane-1,2-dioateDioctyl ethanedioateEINECS 244-012-61,2-Dioctyl ethanedioateUG6TQ2ZZ54SCHEMBL1960710DTXSID20174833Ethanedioic acid, 1,2-dioctyl esterSBB060324AKOS024390834
Show more names
Oxalic acid dioctyl ester
NS00026730ST51046532
Database identifiers
- CAS
20760-45-6- PubChem CID
- 88683
- DTXSID
DTXSID20174833- UNII
- UG6TQ2ZZ54
- EC Number
- 244-012-6
- Nikkaji
- J225.326G
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 17
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- Boiling point
- 384.2 · 384.2±11.0 °C(Predicted)
- Density
- 0.945 · 0.945±0.06 g/cm3(Predicted)
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Related reactions
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Compound notes
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