ChemSpider 2D Image | 4-Cyanophenyl 4-(trans-4-heptylcyclohexyl)benzoate | C27H33NO2

4-Cyanophenyl 4-(trans-4-heptylcyclohexyl)benzoate

  • Molecular FormulaC27H33NO2
  • Average mass403.556 Da
  • Monoisotopic mass403.251129 Da
  • ChemSpider ID28291249

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-(trans-4-Heptylcyclohexyl)benzoate de 4-cyanophényle [French] [ACD/IUPAC Name]
4-Cyanophenyl 4-(trans-4-heptylcyclohexyl)benzoate [ACD/IUPAC Name]
4-Cyanphenyl-4-(trans-4-heptylcyclohexyl)benzoat [German] [ACD/IUPAC Name]
81930-18-9 [RN]
Benzoic acid, 4-(trans-4-heptylcyclohexyl)-, 4-cyanophenyl ester [ACD/Index Name]
4-Cyano phenyl-4'-trans-heptyl cyclohexyl benzoate
4-cyanophenyl trans-4-(4-heptylcyclohexyl)benzoate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 551.6±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 280.9±14.9 °C
Index of Refraction: 1.561
Molar Refractivity: 120.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 9.57
ACD/LogD (pH 5.5): 8.94
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1738330.38
ACD/LogD (pH 7.4): 8.94
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1738330.38
Polar Surface Area: 50 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 47.1±5.0 dyne/cm
Molar Volume: 372.6±5.0 cm3

Click to predict properties on the Chemicalize site


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