ChemSpider 2D Image | Ethyl 4-[(2-isopropyl-5-methylphenoxy)sulfonyl]butanoate | C16H24O5S

Ethyl 4-[(2-isopropyl-5-methylphenoxy)sulfonyl]butanoate

  • Molecular FormulaC16H24O5S
  • Average mass328.424 Da
  • Monoisotopic mass328.134430 Da
  • ChemSpider ID31874332

More details:

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

4-[(2-Isopropyl-5-méthylphénoxy)sulfonyl]butanoate d'éthyle [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[5-methyl-2-(1-methylethyl)phenoxy]sulfonyl]-, ethyl ester [ACD/Index Name]
Ethyl 4-[(2-isopropyl-5-methylphenoxy)sulfonyl]butanoate [ACD/IUPAC Name]
Ethyl-4-[(2-isopropyl-5-methylphenoxy)sulfonyl]butanoat [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: 453.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 228.0±28.7 °C
Index of Refraction: 1.508
Molar Refractivity: 85.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 194.73
ACD/KOC (pH 5.5): 1514.91
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 194.73
ACD/KOC (pH 7.4): 1514.91
Polar Surface Area: 78 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 286.8±3.0 cm3

Click to predict properties on the Chemicalize site


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