Diisobutyl oxalate
Basic information
- CAS
2050-61-5- Standard SMILES
CC(C)COC(=O)C(=O)OCC(C)C- InChIKey
GJRRTUSXQPXVES-UHFFFAOYSA-N- Molecular formula
- C10H18O4
- Average molar mass
- 202.25 g/mol
- Monoisotopic mass
- 202.12050905
Names & identifiers
- Preferred name
- Diisobutyl oxalate
- IUPAC
- bis(2-methylpropyl) oxalate
- English name
- Bis(2-methylpropyl) oxalate
- Molecular formula
- C10H18O4
- Molecular weight
- 202.25
Names & synonyms
diisobutyl oxalatebis(2-methylpropyl) oxalate2050-61-5NSC67394bis(2-methylpropyl)oxalateisobutyl oxalateOXALIC ACID DIISOBUTYL ESTERSCHEMBL298254Bis(2-methylpropyl) ethanedioateDTXSID80290220Oxalic acid, bis(isobutyl) esterNSC-67394
Show more names
Oxalic acid bis(isobutyl) esterEthanedioic acid, 1,2-bis(2-methylpropyl) ester
Q65224943
Database identifiers
- CAS
2050-61-5- PubChem CID
- 249287
- DTXSID
DTXSID80290220- Nikkaji
- J43.375F
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 174
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 229 °C · 229°C (estimate)
- Density
- 0.9737 · 0.9737
- refractive index
- 1.418 · 1.4180 (estimate)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Compound notes
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