3-Hexadecyne
Basic information
- CAS
61886-62-2- Standard SMILES
CCC#CCCCCCCCCCCCC- InChIKey
HRFPRVYNMNOAQO-UHFFFAOYSA-N- Molecular formula
- C16H30
- Average molar mass
- 222.41 g/mol
- Monoisotopic mass
- 222.23475096
Names & identifiers
- Preferred name
- 3-Hexadecyne
- IUPAC
- hexadec-3-yne
- English name
- 3-hexadecyne
- Molecular formula
- C16H30
- Molecular weight
- 222.41
Names & synonyms
3-Hexadecyne61886-62-2DTXSID80338393RefChem:94024DTXCID40289478HRFPRVYNMNOAQO-UHFFFAOYSA-Nhexadec-3-yneSCHEMBL5166824SCHEMBL5984470SCHEMBL6467458SCHEMBL9515428NS00096035
Database identifiers
- CAS
61886-62-2- PubChem CID
- 548886
- DTXSID
DTXSID80338393- Nikkaji
- J126.088J
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 10
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 179
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 17.51 °C · 17.51°C (estimate)
- Boiling point
- 283.61 °C · 283.61°C (estimate)
- Density
- 0.7974 · 0.7974 (estimate)
- refractive index
- 1.4406 · 1.4406 (estimate)
- Henry's Law Constant
- 3.3 · 3.3×10-4 mol/(m3Pa) at 25℃, Yaws (2003)
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Related reactions
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Compound notes
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