ChemSpider 2D Image | Propyl 4-[(heptylsulfinyl)methyl]benzoate | C18H28O3S

Propyl 4-[(heptylsulfinyl)methyl]benzoate

  • Molecular FormulaC18H28O3S
  • Average mass324.478 Da
  • Monoisotopic mass324.175903 Da
  • ChemSpider ID60152402

More details:

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

4-[(Heptylsulfinyl)méthyl]benzoate de propyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(heptylsulfinyl)methyl]-, propyl ester [ACD/Index Name]
Propyl 4-[(heptylsulfinyl)methyl]benzoate [ACD/IUPAC Name]
Propyl-4-[(heptylsulfinyl)methyl]benzoat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 491.3±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.8±3.0 kJ/mol
Flash Point: 250.9±26.8 °C
Index of Refraction: 1.532
Molar Refractivity: 93.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 4.95
ACD/BCF (pH 5.5): 3396.41
ACD/KOC (pH 5.5): 11724.60
ACD/LogD (pH 7.4): 4.95
ACD/BCF (pH 7.4): 3396.41
ACD/KOC (pH 7.4): 11724.60
Polar Surface Area: 63 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 301.7±3.0 cm3

Click to predict properties on the Chemicalize site


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