Basic information
- CAS
40710-41-6- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCC- InChIKey
SIEHXZPCMFPOQV-UHFFFAOYSA-N- Molecular formula
- C72H144O2
- Average molar mass
- 1,041.9 g/mol
- Monoisotopic mass
- 1,041.11663383
Names & identifiers
- Preferred name
- Propyl nonahexacontanoate
- IUPAC
- propyl nonahexacontanoate
- English name
- Nonahexacontanoic acid propyl ester
- Molecular formula
- C72H144O2
- Molecular weight
- 1041.91
Names & synonyms
Propyl nonahexacontanoateNonahexacontanoic acid, propyl esterSIEHXZPCMFPOQV-UHFFFAOYSA-NNonahexacontanoic acid propyl ester
Database identifiers
- CAS
40710-41-6- PubChem CID
- 545933
- Nikkaji
- J240.260B
Properties
Computed structural properties
- XLogP
- 37
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 70
- Heavy atoms
- 74
- Formal charge
- 0
- Complexity
- 959
Physicochemical properties
- Boiling point
- 855.7 · 855.7±33.0 °C(Predicted)
- Density
- 0.853 · 0.853±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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