ChemSpider 2D Image | Methyl 1-sulfanylcyclohexanecarboxylate | C8H14O2S

Methyl 1-sulfanylcyclohexanecarboxylate

  • Molecular FormulaC8H14O2S
  • Average mass174.261 Da
  • Monoisotopic mass174.071457 Da
  • ChemSpider ID28474215

More details:

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

1378832-19-9 [RN]
1-Sulfanylcyclohexanecarboxylate de méthyle [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 1-mercapto-, methyl ester [ACD/Index Name]
methyl 1-sulfanylcyclohexane-1-carboxylate
Methyl 1-sulfanylcyclohexanecarboxylate [ACD/IUPAC Name]
Methyl-1-sulfanylcyclohexancarboxylat [German] [ACD/IUPAC Name]
1-Mercapto-cyclohexanecarboxylic acid methyl ester
Methyl 1-mercaptocyclohexanecarboxylate
MFCD19689209

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

CCRIS 4693 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 229.2±23.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.6±3.0 kJ/mol
Flash Point: 109.0±10.5 °C
Index of Refraction: 1.494
Molar Refractivity: 46.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.26
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 31.80
ACD/KOC (pH 5.5): 414.04
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 30.87
ACD/KOC (pH 7.4): 401.94
Polar Surface Area: 65 Å2
Polarizability: 18.5±0.5 10-24cm3
Surface Tension: 36.9±5.0 dyne/cm
Molar Volume: 160.5±5.0 cm3

Click to predict properties on the Chemicalize site


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