ChemSpider 2D Image | Methyl 3-{[3-(2-methyl-2-propanyl)phenoxy]sulfonyl}benzoate | C18H20O5S

Methyl 3-{[3-(2-methyl-2-propanyl)phenoxy]sulfonyl}benzoate

  • Molecular FormulaC18H20O5S
  • Average mass348.413 Da
  • Monoisotopic mass348.103149 Da
  • ChemSpider ID22390032

More details:

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

3-{[3-(2-Méthyl-2-propanyl)phénoxy]sulfonyl}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[3-(1,1-dimethylethyl)phenoxy]sulfonyl]-, methyl ester [ACD/Index Name]
Methyl 3-{[3-(2-methyl-2-propanyl)phenoxy]sulfonyl}benzoate [ACD/IUPAC Name]
Methyl-3-{[3-(2-methyl-2-propanyl)phenoxy]sulfonyl}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: 480.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.5±3.0 kJ/mol
Flash Point: 244.4±28.7 °C
Index of Refraction: 1.550
Molar Refractivity: 91.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.13
ACD/LogD (pH 5.5): 4.42
ACD/BCF (pH 5.5): 1337.57
ACD/KOC (pH 5.5): 6017.51
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 1337.57
ACD/KOC (pH 7.4): 6017.51
Polar Surface Area: 78 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 42.9±3.0 dyne/cm
Molar Volume: 287.7±3.0 cm3

Click to predict properties on the Chemicalize site


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