Basic information
- CAS
7719-95-1- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC- InChIKey
UXMDGVPNICZCNN-UHFFFAOYSA-N- Molecular formula
- C82H166
- Average molar mass
- 1,152.2 g/mol
- Monoisotopic mass
- 1,151.2989553
Names & identifiers
- Preferred name
- Dooctacontane
- IUPAC
- dooctacontane
- English name
- DOOCTACONTANE
- Molecular formula
- C82H166
- Molecular weight
- 1152.2
Names & synonyms
dooctacontaneDTXSID203350287719-95-1RefChem:339533DTXCID70286117SCHEMBL29813997Q18456312
Database identifiers
- CAS
7719-95-1- PubChem CID
- 522649
- DTXSID
DTXSID20335028- Nikkaji
- J1.323.965G
Properties
Computed structural properties
- XLogP
- 44
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 79
- Heavy atoms
- 82
- Formal charge
- 0
- Complexity
- 932
Physicochemical properties
- Melting point
- 110.35 °C · 110.35°C
- Boiling point
- 678.01 °C · 678.01°C (estimate)
- Density
- 0.9417 · 0.9417 (estimate)
- refractive index
- 1.5042 · 1.5042 (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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