ChemSpider 2D Image | Propyl 3-{[(1-isobutoxy-1-oxo-2-butanyl)sulfinyl]methyl}benzoate | C19H28O5S

Propyl 3-{[(1-isobutoxy-1-oxo-2-butanyl)sulfinyl]methyl}benzoate

  • Molecular FormulaC19H28O5S
  • Average mass368.488 Da
  • Monoisotopic mass368.165741 Da
  • ChemSpider ID60161714

More details:

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

3-{[(1-Isobutoxy-1-oxo-2-butanyl)sulfinyl]méthyl}benzoate de propyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[[1-[(2-methylpropoxy)carbonyl]propyl]sulfinyl]methyl]-, propyl ester [ACD/Index Name]
Propyl 3-{[(1-isobutoxy-1-oxo-2-butanyl)sulfinyl]methyl}benzoate [ACD/IUPAC Name]
Propyl-3-{[(1-isobutoxy-1-oxo-2-butanyl)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: 525.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.9±3.0 kJ/mol
Flash Point: 271.4±28.7 °C
Index of Refraction: 1.531
Molar Refractivity: 99.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 4.02
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 543.20
ACD/KOC (pH 5.5): 3157.08
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 543.20
ACD/KOC (pH 7.4): 3157.08
Polar Surface Area: 89 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 322.4±3.0 cm3

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