ChemSpider 2D Image | (1S,2R)-3-Methyl-1,2-cyclohexanediol | C7H14O2

(1S,2R)-3-Methyl-1,2-cyclohexanediol

  • Molecular FormulaC7H14O2
  • Average mass130.185 Da
  • Monoisotopic mass130.099380 Da
  • ChemSpider ID61414228

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1S,2R)-3-Methyl-1,2-cyclohexandiol [German] [ACD/IUPAC Name]
(1S,2R)-3-Methyl-1,2-cyclohexanediol [ACD/IUPAC Name]
(1S,2R)-3-Méthyl-1,2-cyclohexanediol [French] [ACD/IUPAC Name]
1,2-Cyclohexanediol, 3-methyl-, (1S,2R)- [ACD/Index Name]
1544400-79-4 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 239.4±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 55.4±6.0 kJ/mol
Flash Point: 112.7±13.0 °C
Index of Refraction: 1.502
Molar Refractivity: 35.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.65
ACD/LogD (pH 5.5): 0.92
ACD/BCF (pH 5.5): 2.96
ACD/KOC (pH 5.5): 75.68
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 2.96
ACD/KOC (pH 7.4): 75.68
Polar Surface Area: 40 Å2
Polarizability: 14.1±0.5 10-24cm3
Surface Tension: 35.1±3.0 dyne/cm
Molar Volume: 120.4±3.0 cm3

Click to predict properties on the Chemicalize site


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