ethynol

• ChemBase ID: 127355
• Molecular Formular: C2H2O
• Molecular Mass: 42.03668
• Monoisotopic Mass: 42.01056468
• SMILES: OC#C
• Canonical SMILES: OC#C
• InChI: InChI=1S/C2H2O/c1-2-3/h1,3H
• InChIKey: QFXZANXYUCUTQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethynol
• IUPAC Systematic name: Ethynol
• IUPAC Traditional name: ethynol
• Synonyms: Ynol; ethynylalcohol; hydroxyacetylene; Ethynol

Database IDs

• CAS Number: 32038-79-2
• PubChem SID: 162221676
• PubChem CID: 123441
• Chemspider ID: 110037
• Wikipedia Title: Ethynol

CALCULATED PROPERTIES

• Acid pKa: 3.8307042
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.9345876
• LogD (pH = 7.4): -3.1983383
• Log P: -0.2744
• Molar Refractivity: 9.5476 cm^3
• Polarizability: 3.955072 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 77.1 °C @ 760mmHg
• Flash Point: 14.7 °C
• Density: 0.981g/cm
• Std enthalpy of formation: 41.6 kJ mol^-1