ChemSpider 2D Image | Propyl 3-({[2-(hexyloxy)-2-oxoethyl]sulfinyl}methyl)benzoate | C19H28O5S

Propyl 3-({[2-(hexyloxy)-2-oxoethyl]sulfinyl}methyl)benzoate

  • Molecular FormulaC19H28O5S
  • Average mass368.488 Da
  • Monoisotopic mass368.165741 Da
  • ChemSpider ID60161726

More details:

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

3-({[2-(Hexyloxy)-2-oxoéthyl]sulfinyl}méthyl)benzoate de propyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[[2-(hexyloxy)-2-oxoethyl]sulfinyl]methyl]-, propyl ester [ACD/Index Name]
Propyl 3-({[2-(hexyloxy)-2-oxoethyl]sulfinyl}methyl)benzoate [ACD/IUPAC Name]
Propyl-3-({[2-(hexyloxy)-2-oxoethyl]sulfinyl}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: 535.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 277.6±28.7 °C
Index of Refraction: 1.533
Molar Refractivity: 99.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 4.85
ACD/BCF (pH 5.5): 2861.88
ACD/KOC (pH 5.5): 10372.08
ACD/LogD (pH 7.4): 4.85
ACD/BCF (pH 7.4): 2861.88
ACD/KOC (pH 7.4): 10372.08
Polar Surface Area: 89 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 321.7±3.0 cm3

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