ChemSpider 2D Image | 1-Phenyl-2-butanyl 5-(methylsulfonyl)-2-furoate | C16H18O5S

1-Phenyl-2-butanyl 5-(methylsulfonyl)-2-furoate

  • Molecular FormulaC16H18O5S
  • Average mass322.376 Da
  • Monoisotopic mass322.087494 Da
  • ChemSpider ID30262622

More details:

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

1-Phenyl-2-butanyl 5-(methylsulfonyl)-2-furoate [ACD/IUPAC Name]
1-Phenyl-2-butanyl-5-(methylsulfonyl)-2-furoat [German] [ACD/IUPAC Name]
2-Furancarboxylic acid, 5-(methylsulfonyl)-, 1-(phenylmethyl)propyl ester [ACD/Index Name]
5-(Méthylsulfonyl)-2-furoate de 1-phényl-2-butanyle [French] [ACD/IUPAC Name]
1-PHENYLBUTAN-2-YL 5-METHANESULFONYLFURAN-2-CARBOXYLATE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 500.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.9±3.0 kJ/mol
Flash Point: 256.7±30.1 °C
Index of Refraction: 1.540
Molar Refractivity: 82.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.20
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 43.63
ACD/KOC (pH 5.5): 519.28
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 43.63
ACD/KOC (pH 7.4): 519.28
Polar Surface Area: 82 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 43.6±3.0 dyne/cm
Molar Volume: 262.5±3.0 cm3

Click to predict properties on the Chemicalize site


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