Basic information
- CAS
7719-79-1- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC- InChIKey
HAIPLQZWDQVPPR-UHFFFAOYSA-N- Molecular formula
- C52H106
- Average molar mass
- 731.4 g/mol
- Monoisotopic mass
- 730.82945338
Names & identifiers
- Preferred name
- Dopentacontane
- IUPAC
- dopentacontane
- English name
- Dopentacontane
- Molecular formula
- C52H106
- Molecular weight
- 731.4
Names & synonyms
dopentacontane7719-79-1DTXSID60335022RefChem:339535DTXCID10286111SCHEMBL199089SCHEMBL199090SCHEMBL235185SCHEMBL6680090C52H106FD166884Q18456327
Show more names
ALKANE C52N-DOPENTACONTANEDOPENTACONTANE, STANDARD FOR GC
Database identifiers
- CAS
7719-79-1- PubChem CID
- 522643
- DTXSID
DTXSID60335022- Nikkaji
- J702.647A
Properties
Computed structural properties
- XLogP
- 27.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 49
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 514
Physicochemical properties
- Melting point
- 90 · 90-93 °C
- Boiling point
- 587.19 °C · 587.19°C (estimate)
- Density
- 0.9245 · 0.9245 (estimate)
- refractive index
- 1.4848 · 1.4848 (estimate)
- Safety Statements
- 24 · 24/25
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- safety_code
- 24/25
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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