ChemSpider 2D Image | Propyl 3-({[2-(2-butoxyethoxy)-2-oxoethyl]sulfinyl}methyl)benzoate | C19H28O6S

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

  • Molecular FormulaC19H28O6S
  • Average mass384.487 Da
  • Monoisotopic mass384.160645 Da
  • ChemSpider ID60161721

More details:

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

3-({[2-(2-Butoxyéthoxy)-2-oxoéthyl]sulfinyl}méthyl)benzoate de propyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[[2-(2-butoxyethoxy)-2-oxoethyl]sulfinyl]methyl]-, propyl ester [ACD/Index Name]
Propyl 3-({[2-(2-butoxyethoxy)-2-oxoethyl]sulfinyl}methyl)benzoate [ACD/IUPAC Name]
Propyl-3-({[2-(2-butoxyethoxy)-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: 1.2±0.1 g/cm3
Boiling Point: 550.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.1±3.0 kJ/mol
Flash Point: 286.8±30.1 °C
Index of Refraction: 1.532
Molar Refractivity: 101.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 0
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 169.34
ACD/KOC (pH 5.5): 1370.76
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 169.34
ACD/KOC (pH 7.4): 1370.76
Polar Surface Area: 98 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 328.1±3.0 cm3

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