ChemSpider 2D Image | 4-(Methylsulfonyl)cyclohexanecarboxylic acid | C8H14O4S

4-(Methylsulfonyl)cyclohexanecarboxylic acid

  • Molecular FormulaC8H14O4S
  • Average mass206.259 Da
  • Monoisotopic mass206.061279 Da
  • ChemSpider ID44781240

More details:

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

1557624-71-1 [RN]
4-(Methylsulfonyl)cyclohexancarbonsäure [German] [ACD/IUPAC Name]
4-(Methylsulfonyl)cyclohexanecarboxylic acid [ACD/IUPAC Name]
Acide 4-(méthylsulfonyl)cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-(methylsulfonyl)- [ACD/Index Name]
4-methanesulfonylcyclohexane-1-carboxylic acid
MFCD26739616

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

Density: 1.3±0.1 g/cm3
Boiling Point: 445.3±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 77.1±6.0 kJ/mol
Flash Point: 223.1±25.7 °C
Index of Refraction: 1.512
Molar Refractivity: 47.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.31
ACD/LogD (pH 5.5): -0.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.25
ACD/LogD (pH 7.4): -2.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability: 18.8±0.5 10-24cm3
Surface Tension: 49.1±5.0 dyne/cm
Molar Volume: 158.2±5.0 cm3

Click to predict properties on the Chemicalize site


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