ChemSpider 2D Image | Ethyl 2-benzyl-2-cyano-4,4-bis(phenylsulfonyl)butanoate | C26H25NO6S2

Ethyl 2-benzyl-2-cyano-4,4-bis(phenylsulfonyl)butanoate

  • Molecular FormulaC26H25NO6S2
  • Average mass511.610 Da
  • Monoisotopic mass511.112335 Da
  • ChemSpider ID9686630

More details:

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

2-Benzyl-2-cyano-4,4-bis(phénylsulfonyl)butanoate d'éthyle [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-[2,2-bis(phenylsulfonyl)ethyl]-α-cyano-, ethyl ester [ACD/Index Name]
Ethyl 2-benzyl-2-cyano-4,4-bis(phenylsulfonyl)butanoate [ACD/IUPAC Name]
Ethyl-2-benzyl-2-cyan-4,4-bis(phenylsulfonyl)butanoat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 770.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.2±3.0 kJ/mol
Flash Point: 420.0±32.9 °C
Index of Refraction: 1.594
Molar Refractivity: 132.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.24
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 1822.80
ACD/KOC (pH 5.5): 7509.91
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 1822.80
ACD/KOC (pH 7.4): 7509.91
Polar Surface Area: 135 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 390.9±3.0 cm3

Click to predict properties on the Chemicalize site


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