acetylene

• ChemBase ID: 125610
• Molecular Formular: C2H2
• Molecular Mass: 26.03728
• Monoisotopic Mass: 26.01565006
• SMILES: C#C
• Canonical SMILES: C#C
• InChI: InChI=1S/C2H2/c1-2/h1-2H
• InChIKey: HSFWRNGVRCDJHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: acetylene
• IUPAC Systematic name: Ethyne
• IUPAC Traditional name: dicarbon
• Synonyms: Acetylene

Database IDs

• CAS Number: 74-86-2
• PubChem SID: 162219960
• PubChem CID: 6326
• CHEBI ID: 27518
• CHEMBL: 116336
• Chemspider ID: 6086
• KEGG ID: C01548
• Unique Ingredient Identifier: OC7TV75O83
• Wikipedia Title: Acetylene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.15384704
• LogD (pH = 7.4): 0.15384704
• Log P: 0.15384704
• Molar Refractivity: 8.566 cm^3
• Polarizability: 3.3301132 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -80.8 °C, 192.4 K, -113.4 °F (Triple point at 1.27 atm)
• Boiling Point: -84°C (Sublimation point at 1 atm)
• Density: 1.097 kg m^-3
• pKa: 25
• Std enthalpy of formation: +226.88 kJ/mol
• Std molar entropy: 201 J·mol^-1·K^-1

Safety Information

• UN Number: 1001 (dissolved); 3138 (in mixture with ethylene and propylene)
• NFPA704:
  

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