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Search term: MF = 'C_{16}H_{20}O_{4}S'
ChemSpider 2D Image | 3-Cyclohexen-1-ylmethyl 3-[(methylsulfonyl)methyl]benzoate | C16H20O4S

3-Cyclohexen-1-ylmethyl 3-[(methylsulfonyl)methyl]benzoate

  • Molecular FormulaC16H20O4S
  • Average mass308.393 Da
  • Monoisotopic mass308.108215 Da
  • ChemSpider ID31431263

More details:

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

3-[(Méthylsulfonyl)méthyl]benzoate de 3-cyclohexén-1-ylméthyle [French] [ACD/IUPAC Name]
3-Cyclohexen-1-ylmethyl 3-[(methylsulfonyl)methyl]benzoate [ACD/IUPAC Name]
3-Cyclohexen-1-ylmethyl-3-[(methylsulfonyl)methyl]benzoat [German] [ACD/IUPAC Name]
Benzoic acid, 3-[(methylsulfonyl)methyl]-, 3-cyclohexen-1-ylmethyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 507.3±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.7±3.0 kJ/mol
Flash Point: 260.6±28.2 °C
Index of Refraction: 1.548
Molar Refractivity: 81.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 3.06
ACD/BCF (pH 5.5): 124.73
ACD/KOC (pH 5.5): 1101.29
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 124.73
ACD/KOC (pH 7.4): 1101.29
Polar Surface Area: 69 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 256.9±3.0 cm3

Click to predict properties on the Chemicalize site


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