ChemSpider 2D Image | 3,3-Dimethylcyclohexanethiol | C8H16S

3,3-Dimethylcyclohexanethiol

  • Molecular FormulaC8H16S
  • Average mass144.278 Da
  • Monoisotopic mass144.097275 Da
  • ChemSpider ID46212891

More details:

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

3,3-Dimethylcyclohexanethiol [ACD/IUPAC Name]
3,3-Diméthylcyclohexanethiol [French] [ACD/IUPAC Name]
3,3-Dimethylcyclohexanthiol [German] [ACD/IUPAC Name]
Cyclohexanethiol, 3,3-dimethyl- [ACD/Index Name]
3,3-dimethylcyclohexane-1-thiol
3,3-Dimethyl-cyclohexanethiol
928648-45-7 [RN]
MFCD20328446

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

Density: 0.9±0.1 g/cm3
Boiling Point: 180.2±9.0 °C at 760 mmHg
Vapour Pressure: 1.2±0.3 mmHg at 25°C
Enthalpy of Vaporization: 39.9±3.0 kJ/mol
Flash Point: 54.8±16.7 °C
Index of Refraction: 1.482
Molar Refractivity: 44.9±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 279.54
ACD/KOC (pH 5.5): 1962.34
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 279.47
ACD/KOC (pH 7.4): 1961.84
Polar Surface Area: 39 Å2
Polarizability: 17.8±0.5 10-24cm3
Surface Tension: 29.8±5.0 dyne/cm
Molar Volume: 157.5±5.0 cm3

Click to predict properties on the Chemicalize site


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