ChemSpider 2D Image | 4-({[(4-Butylcyclohexyl)carbonyl]amino}methyl)phenyl (2E)-3-(4-chlorophenyl)acrylate | C27H32ClNO3

4-({[(4-Butylcyclohexyl)carbonyl]amino}methyl)phenyl (2E)-3-(4-chlorophenyl)acrylate

  • Molecular FormulaC27H32ClNO3
  • Average mass454.001 Da
  • Monoisotopic mass453.207062 Da
  • ChemSpider ID66922991

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(4-Chlorophényl)acrylate de 4-({[(4-butylcyclohexyl)carbonyl]amino}méthyl)phényle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-(4-chlorophenyl)-, 4-[[[(4-butylcyclohexyl)carbonyl]amino]methyl]phenyl ester, (2E)- [ACD/Index Name]
4-({[(4-Butylcyclohexyl)carbonyl]amino}methyl)phenyl (2E)-3-(4-chlorophenyl)acrylate [ACD/IUPAC Name]
4-({[(4-Butylcyclohexyl)carbonyl]amino}methyl)phenyl-(2E)-3-(4-chlorphenyl)acrylat [German] [ACD/IUPAC 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: 654.1±54.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 349.4±31.2 °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: 7.27
ACD/LogD (pH 5.5): 6.39
ACD/BCF (pH 5.5): 42087.41
ACD/KOC (pH 5.5): 71047.87
ACD/LogD (pH 7.4): 6.39
ACD/BCF (pH 7.4): 42087.45
ACD/KOC (pH 7.4): 71047.95
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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