ChemSpider 2D Image | (3S)-3-Methylcyclohexanol | C7H14O

(3S)-3-Methylcyclohexanol

  • Molecular FormulaC7H14O
  • Average mass114.186 Da
  • Monoisotopic mass114.104462 Da
  • ChemSpider ID57578293

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(3S)-3-Methylcyclohexanol [German] [ACD/IUPAC Name]
(3S)-3-Methylcyclohexanol [ACD/IUPAC Name]
(3S)-3-Méthylcyclohexanol [French] [ACD/IUPAC Name]
Cyclohexanol, 3-methyl-, (3S)- [ACD/Index Name]
(1R,3R)-(-)-3-methyl cyclohexanol
1456872-72-2 [RN]
591-23-1 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 170.3±8.0 °C at 760 mmHg
Vapour Pressure: 0.5±0.7 mmHg at 25°C
Enthalpy of Vaporization: 47.4±6.0 kJ/mol
Flash Point: 62.8±0.0 °C
Index of Refraction: 1.463
Molar Refractivity: 34.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.83
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 16.25
ACD/KOC (pH 5.5): 256.06
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 16.25
ACD/KOC (pH 7.4): 256.06
Polar Surface Area: 20 Å2
Polarizability: 13.5±0.5 10-24cm3
Surface Tension: 28.9±3.0 dyne/cm
Molar Volume: 123.4±3.0 cm3

Click to predict properties on the Chemicalize site


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