ChemSpider 2D Image | Diethyl [(ethylsulfonyl)(4-nitrobenzoyl)amino]malonate | C16H20N2O9S

Diethyl [(ethylsulfonyl)(4-nitrobenzoyl)amino]malonate

  • Molecular FormulaC16H20N2O9S
  • Average mass416.403 Da
  • Monoisotopic mass416.088959 Da
  • ChemSpider ID102881988

More details:

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

[(Éthylsulfonyl)(4-nitrobenzoyl)amino]malonate de diéthyle [French] [ACD/IUPAC Name]
Diethyl [(ethylsulfonyl)(4-nitrobenzoyl)amino]malonate [ACD/IUPAC Name]
Diethyl-[(ethylsulfonyl)(4-nitrobenzoyl)amino]malonat [German] [ACD/IUPAC Name]
Propanedioic acid, 2-[(ethylsulfonyl)(4-nitrobenzoyl)amino]-, diethyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 559.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.2±3.0 kJ/mol
Flash Point: 292.4±32.9 °C
Index of Refraction: 1.549
Molar Refractivity: 95.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.52
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 14.25
ACD/KOC (pH 5.5): 233.08
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 13.76
ACD/KOC (pH 7.4): 225.02
Polar Surface Area: 161 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 56.0±3.0 dyne/cm
Molar Volume: 300.5±3.0 cm3

Click to predict properties on the Chemicalize site


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