ChemSpider 2D Image | 2-[(4-Methylcyclohexyl)oxy]-2-oxoethyl 4-[(methylsulfonyl)methyl]benzoate | C18H24O6S

2-[(4-Methylcyclohexyl)oxy]-2-oxoethyl 4-[(methylsulfonyl)methyl]benzoate

  • Molecular FormulaC18H24O6S
  • Average mass368.445 Da
  • Monoisotopic mass368.129364 Da
  • ChemSpider ID67202227

More details:

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

2-[(4-Methylcyclohexyl)oxy]-2-oxoethyl 4-[(methylsulfonyl)methyl]benzoate [ACD/IUPAC Name]
2-[(4-Methylcyclohexyl)oxy]-2-oxoethyl-4-[(methylsulfonyl)methyl]benzoat [German] [ACD/IUPAC Name]
4-[(Méthylsulfonyl)méthyl]benzoate de 2-[(4-méthylcyclohexyl)oxy]-2-oxoéthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(methylsulfonyl)methyl]-, 2-[(4-methylcyclohexyl)oxy]-2-oxoethyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 567.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 297.1±28.7 °C
Index of Refraction: 1.543
Molar Refractivity: 92.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.86
ACD/LogD (pH 5.5): 3.09
ACD/BCF (pH 5.5): 131.13
ACD/KOC (pH 5.5): 1141.46
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 131.13
ACD/KOC (pH 7.4): 1141.46
Polar Surface Area: 95 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 294.2±5.0 cm3

Click to predict properties on the Chemicalize site


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