ChemSpider 2D Image | 2,4,4-Trimethylcyclohexanethiol | C9H18S

2,4,4-Trimethylcyclohexanethiol

  • Molecular FormulaC9H18S
  • Average mass158.304 Da
  • Monoisotopic mass158.112915 Da
  • ChemSpider ID37253379

More details:

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

2,4,4-Trimethylcyclohexanethiol [ACD/IUPAC Name]
2,4,4-Triméthylcyclohexanethiol [French] [ACD/IUPAC Name]
2,4,4-Trimethylcyclohexanthiol [German] [ACD/IUPAC Name]
Cyclohexanethiol, 2,4,4-trimethyl- [ACD/Index Name]
1518542-53-4 [RN]
2,4,4-trimethylcyclohexane-1-thiol
MFCD24081855

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

Density: 0.9±0.1 g/cm3
Boiling Point: 194.7±9.0 °C at 760 mmHg
Vapour Pressure: 0.6±0.4 mmHg at 25°C
Enthalpy of Vaporization: 41.3±3.0 kJ/mol
Flash Point: 61.4±16.7 °C
Index of Refraction: 1.478
Molar Refractivity: 49.5±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 634.08
ACD/KOC (pH 5.5): 3526.76
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 633.92
ACD/KOC (pH 7.4): 3525.90
Polar Surface Area: 39 Å2
Polarizability: 19.6±0.5 10-24cm3
Surface Tension: 29.2±5.0 dyne/cm
Molar Volume: 174.7±5.0 cm3

Click to predict properties on the Chemicalize site


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