ChemSpider 2D Image | S-[(4,4-Dimethylcyclohexyl)methyl] ethanethioate | C11H20OS

S-[(4,4-Dimethylcyclohexyl)methyl] ethanethioate

  • Molecular FormulaC11H20OS
  • Average mass200.341 Da
  • Monoisotopic mass200.123489 Da
  • ChemSpider ID34209235

More details:

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

1-{[(4,4-dimethylcyclohexyl)methyl]sulfanyl}ethan-1-one
1803609-47-3 [RN]
Éthanethioate de S-[(4,4-diméthylcyclohexyl)méthyle] [French] [ACD/IUPAC Name]
Ethanethioic acid, S-[(4,4-dimethylcyclohexyl)methyl] ester [ACD/Index Name]
S-[(4,4-Dimethylcyclohexyl)methyl] ethanethioate [ACD/IUPAC Name]
S-[(4,4-Dimethylcyclohexyl)methyl]-ethanthioat [German] [ACD/IUPAC Name]
MFCD28125225

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

Density: 1.0±0.1 g/cm3
Boiling Point: 261.2±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.9±3.0 kJ/mol
Flash Point: 98.5±12.3 °C
Index of Refraction: 1.474
Molar Refractivity: 59.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.35
ACD/LogD (pH 5.5): 4.26
ACD/BCF (pH 5.5): 1016.25
ACD/KOC (pH 5.5): 4943.24
ACD/LogD (pH 7.4): 4.26
ACD/BCF (pH 7.4): 1016.25
ACD/KOC (pH 7.4): 4943.24
Polar Surface Area: 42 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 32.9±3.0 dyne/cm
Molar Volume: 210.0±3.0 cm3

Click to predict properties on the Chemicalize site


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