ChemSpider 2D Image | 1-(Cyclohexylsulfanyl)-3-methylcyclobutanecarboxylic acid | C12H20O2S

1-(Cyclohexylsulfanyl)-3-methylcyclobutanecarboxylic acid

  • Molecular FormulaC12H20O2S
  • Average mass228.351 Da
  • Monoisotopic mass228.118393 Da
  • ChemSpider ID48446060

More details:

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

1-(Cyclohexylsulfanyl)-3-methylcyclobutancarbonsäure [German] [ACD/IUPAC Name]
1-(Cyclohexylsulfanyl)-3-methylcyclobutanecarboxylic acid [ACD/IUPAC Name]
Acide 1-(cyclohexylsulfanyl)-3-méthylcyclobutanecarboxylique [French] [ACD/IUPAC Name]
Cyclobutanecarboxylic acid, 1-(cyclohexylthio)-3-methyl- [ACD/Index Name]
1-(cyclohexylsulfanyl)-3-methylcyclobutane-1-carboxylic acid
1483878-80-3 [RN]
MFCD20882513

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

Density: 1.1±0.1 g/cm3
Boiling Point: 370.5±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 67.8±6.0 kJ/mol
Flash Point: 177.9±23.2 °C
Index of Refraction: 1.545
Molar Refractivity: 63.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 3.85
ACD/KOC (pH 5.5): 30.60
ACD/LogD (pH 7.4): -0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 45.5±5.0 dyne/cm
Molar Volume: 199.6±5.0 cm3

Click to predict properties on the Chemicalize site


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