ChemSpider 2D Image | 1-Phenyl-1-hexyn-3-ol | C12H14O

1-Phenyl-1-hexyn-3-ol

  • Molecular FormulaC12H14O
  • Average mass174.239 Da
  • Monoisotopic mass174.104462 Da
  • ChemSpider ID21428493

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-Hexyn-3-ol, 1-phenyl- [ACD/Index Name]
1-Phenyl-1-hexin-3-ol [German] [ACD/IUPAC Name]
1-Phenyl-1-hexyn-3-ol [ACD/IUPAC Name]
1-Phényl-1-hexyn-3-ol [French] [ACD/IUPAC Name]
1817-51-2 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 283.6±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 55.2±3.0 kJ/mol
Flash Point: 127.8±15.6 °C
Index of Refraction: 1.548
Molar Refractivity: 54.1±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 80.61
ACD/KOC (pH 5.5): 805.78
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 80.61
ACD/KOC (pH 7.4): 805.78
Polar Surface Area: 20 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 43.2±5.0 dyne/cm
Molar Volume: 170.2±5.0 cm3

Click to predict properties on the Chemicalize site


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