Found 215 results

Search term: MF = 'C_{17}H_{22}O_{4}S'
ChemSpider 2D Image | (6-Methyl-3-cyclohexen-1-yl)methyl 4-[(methylsulfonyl)methyl]benzoate | C17H22O4S

(6-Methyl-3-cyclohexen-1-yl)methyl 4-[(methylsulfonyl)methyl]benzoate

  • Molecular FormulaC17H22O4S
  • Average mass322.419 Da
  • Monoisotopic mass322.123871 Da
  • ChemSpider ID31174781

More details:

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

(6-Methyl-3-cyclohexen-1-yl)methyl 4-[(methylsulfonyl)methyl]benzoate [ACD/IUPAC Name]
(6-Methyl-3-cyclohexen-1-yl)methyl-4-[(methylsulfonyl)methyl]benzoat [German] [ACD/IUPAC Name]
4-[(Méthylsulfonyl)méthyl]benzoate de (6-méthyl-3-cyclohexén-1-yl)méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(methylsulfonyl)methyl]-, (6-methyl-3-cyclohexen-1-yl)methyl 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: 507.7±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 260.9±28.2 °C
Index of Refraction: 1.535
Molar Refractivity: 86.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 179.19
ACD/KOC (pH 5.5): 1427.33
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 179.19
ACD/KOC (pH 7.4): 1427.33
Polar Surface Area: 69 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 276.9±3.0 cm3

Click to predict properties on the Chemicalize site


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