ChemSpider 2D Image | Benzyl 4-{[(5-ethyl-2-methoxyphenyl)sulfonyl]oxy}benzoate | C23H22O6S

Benzyl 4-{[(5-ethyl-2-methoxyphenyl)sulfonyl]oxy}benzoate

  • Molecular FormulaC23H22O6S
  • Average mass426.482 Da
  • Monoisotopic mass426.113708 Da
  • ChemSpider ID127359135

More details:

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

4-{[(5-Éthyl-2-méthoxyphényl)sulfonyl]oxy}benzoate de benzyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[(5-ethyl-2-methoxyphenyl)sulfonyl]oxy]-, phenylmethyl ester [ACD/Index Name]
Benzyl 4-{[(5-ethyl-2-methoxyphenyl)sulfonyl]oxy}benzoate [ACD/IUPAC Name]
Benzyl-4-{[(5-ethyl-2-methoxyphenyl)sulfonyl]oxy}benzoat [German] [ACD/IUPAC Name]
2871092-12-3 [RN]
Benzyl 4-(5-ethyl-2-methoxyphenyl)sulfonyloxybenzoate
benzyl 4-[(5-ethyl-2-methoxybenzenesulfonyl)oxy]benzoate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 598.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 315.7±30.1 °C
Index of Refraction: 1.585
Molar Refractivity: 113.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.97
ACD/LogD (pH 5.5): 5.25
ACD/BCF (pH 5.5): 5720.11
ACD/KOC (pH 5.5): 17027.15
ACD/LogD (pH 7.4): 5.25
ACD/BCF (pH 7.4): 5720.11
ACD/KOC (pH 7.4): 17027.15
Polar Surface Area: 87 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 338.5±3.0 cm3

Click to predict properties on the Chemicalize site


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