Basic information
- CAS
7719-83-7- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC- InChIKey
NHAQDJWMCPLLCY-UHFFFAOYSA-N- Molecular formula
- C62H126
- Average molar mass
- 871.7 g/mol
- Monoisotopic mass
- 870.98595402
Names & identifiers
- Preferred name
- Dohexacontane
- IUPAC
- dohexacontane
- English name
- Dohexacontane
- Molecular formula
- C62H126
- Molecular weight
- 871.66
Names & synonyms
dohexacontaneDTXSID203350237719-83-7RefChem:339531DTXCID70286112SCHEMBL6685073Q18456324
Database identifiers
- CAS
7719-83-7- PubChem CID
- 522644
- DTXSID
DTXSID20335023- Nikkaji
- J2.567.003E
Properties
Computed structural properties
- XLogP
- 33.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 59
- Heavy atoms
- 62
- Formal charge
- 0
- Complexity
- 649
Physicochemical properties
- Melting point
- 101.85 °C · 101.85°C
- Boiling point
- 620.79 °C · 620.79°C (estimate)
- Density
- 0.9308 · 0.9308 (estimate)
- refractive index
- 1.493 · 1.4930 (estimate)
Chemistry & industry
Suppliers1 total
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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