ChemSpider 2D Image | 4-({[(2E)-3-(4-Chlorophenyl)-2-propenoyl]amino}methyl)phenyl 4-butylcyclohexanecarboxylate | C27H32ClNO3

4-({[(2E)-3-(4-Chlorophenyl)-2-propenoyl]amino}methyl)phenyl 4-butylcyclohexanecarboxylate

  • Molecular FormulaC27H32ClNO3
  • Average mass454.001 Da
  • Monoisotopic mass453.207062 Da
  • ChemSpider ID66923372

  • Double-bond stereo - Double-bond stereo

More details:

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

4-({[(2E)-3-(4-Chlorophenyl)-2-propenoyl]amino}methyl)phenyl 4-butylcyclohexanecarboxylate [ACD/IUPAC Name]
4-({[(2E)-3-(4-Chlorphenyl)-2-propenoyl]amino}methyl)phenyl-4-butylcyclohexancarboxylat [German] [ACD/IUPAC Name]
4-Butylcyclohexanecarboxylate de 4-({[(2E)-3-(4-chlorophényl)-2-propenoyl]amino}méthyl)phényle [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-butyl-, 4-[[[(2E)-3-(4-chlorophenyl)-1-oxo-2-propen-1-yl]amino]methyl]phenyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 640.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 341.3±31.5 °C
Index of Refraction: 1.573
Molar Refractivity: 130.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 7.36
ACD/LogD (pH 5.5): 6.40
ACD/BCF (pH 5.5): 42950.95
ACD/KOC (pH 5.5): 72088.31
ACD/LogD (pH 7.4): 6.40
ACD/BCF (pH 7.4): 42950.90
ACD/KOC (pH 7.4): 72088.23
Polar Surface Area: 55 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 396.2±3.0 cm3

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