Basic information
- CAS
629-49-2- Standard SMILES
CC#CCCCCCCCCC- InChIKey
NDIJGAGRSOPRNJ-UHFFFAOYSA-N- Molecular formula
- C12H22
- Average molar mass
- 166.3 g/mol
- Monoisotopic mass
- 166.1721507
Names & identifiers
- Preferred name
- 2-Dodecyne
- IUPAC
- dodec-2-yne
- English name
- 2-dodecyne
- Molecular formula
- C12H22
- Molecular weight
- 166.3
Names & synonyms
2-Dodecyne2-C12H22629-49-2DTXSID10212076RefChem:86805DTXCID10134567NDIJGAGRSOPRNJ-UHFFFAOYSA-Ndodec-2-yneSCHEMBL313636SCHEMBL455197SCHEMBL514166SCHEMBL5984873
Show more names
SCHEMBL6561950SCHEMBL9250669
Database identifiers
- CAS
629-49-2- PubChem CID
- 136452
- DTXSID
DTXSID10212076- Nikkaji
- J134.549D
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 133
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -9 °C · -9°C
- Boiling point
- 214.56 °C · 214.56°C (estimate)
- Density
- 0.794 · 0.7940 (estimate)
- refractive index
- 1.4287 · 1.4287 (estimate)
- Henry's Law Constant
- 4.9 · 4.9×10-5 mol/(m3Pa) at 25℃, Yaws (2003)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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