Basic information
- CAS
7719-93-9- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC- InChIKey
IPMNAGMOJQBRJL-UHFFFAOYSA-N- Molecular formula
- C70H142
- Average molar mass
- 983.9 g/mol
- Monoisotopic mass
- 983.11115453
Names & identifiers
- Preferred name
- Heptacontane
- IUPAC
- heptacontane
- English name
- heptacontane
- Molecular formula
- C70H142
- Molecular weight
- 983.88
Names & synonyms
heptacontane7719-93-9RLF8L9D9BQUNII-RLF8L9D9BQDTXSID60335027RefChem:145599DTXCID10286116SCHEMBL14762384Q18456684
Database identifiers
- CAS
7719-93-9- PubChem CID
- 522648
- DTXSID
DTXSID60335027- UNII
- RLF8L9D9BQ
- Nikkaji
- J1.323.964I
Properties
Computed structural properties
- XLogP
- 37.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 67
- Heavy atoms
- 70
- Formal charge
- 0
- Complexity
- 760
Physicochemical properties
- Melting point
- 105.55 °C · 105.55°C (estimate)
- Boiling point
- 645.04 °C · 645.04°C (estimate)
- Density
- 0.9354 · 0.9354 (estimate)
- refractive index
- 1.4982 · 1.4982 (estimate)
- FDA UNII
- 8 L9D9BQ · RLF8L9D9BQ
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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