ChemSpider 2D Image | 4-Methyl-1,5-hexadiyn-3-ol | C7H8O

4-Methyl-1,5-hexadiyn-3-ol

  • Molecular FormulaC7H8O
  • Average mass108.138 Da
  • Monoisotopic mass108.057518 Da
  • ChemSpider ID29330556

More details:

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

1,5-Hexadiyn-3-ol, 4-methyl- [ACD/Index Name]
4-Methyl-1,5-hexadiin-3-ol [German] [ACD/IUPAC Name]
4-Methyl-1,5-hexadiyn-3-ol [ACD/IUPAC Name]
4-Méthyl-1,5-hexadiyn-3-ol [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 181.8±20.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.7 mmHg at 25°C
Enthalpy of Vaporization: 48.7±6.0 kJ/mol
Flash Point: 75.0±14.8 °C
Index of Refraction: 1.487
Molar Refractivity: 31.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.75
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.86
ACD/KOC (pH 5.5): 54.16
ACD/LogD (pH 7.4): 0.66
ACD/BCF (pH 7.4): 1.86
ACD/KOC (pH 7.4): 54.15
Polar Surface Area: 20 Å2
Polarizability: 12.5±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 109.9±3.0 cm3

Click to predict properties on the Chemicalize site


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