ChemSpider 2D Image | 4-Cyanophenyl 4-(trans-4-butylcyclohexyl)benzoate | C24H27NO2

4-Cyanophenyl 4-(trans-4-butylcyclohexyl)benzoate

  • Molecular FormulaC24H27NO2
  • Average mass361.477 Da
  • Monoisotopic mass361.204193 Da
  • ChemSpider ID28291266

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-(trans-4-Butylcyclohexyl)benzoate de 4-cyanophényle [French] [ACD/IUPAC Name]
4-Cyanophenyl 4-(trans-4-butylcyclohexyl)benzoate [ACD/IUPAC Name]
4-Cyanphenyl-4-(trans-4-butylcyclohexyl)benzoat [German] [ACD/IUPAC Name]
Benzoic acid, 4-(trans-4-butylcyclohexyl)-, 4-cyanophenyl ester [ACD/Index Name]
4-Cyanophenyl trans-4-(4-butylcyclohexyl)benzoate
4-cyanophenyl trans-4-(4-n-butylcyclohexyl)benzoate
4-Cyano-phenyl-4'-trans-butylcyclohexylbenzoate
4-Cyanophenyl-4-trans-n-butylcyclohexylbenzoate
91225-21-7 [RN]
MFCD09751098 [MDL number]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 519.4±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 262.6±14.9 °C
Index of Refraction: 1.572
Molar Refractivity: 106.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 7.98
ACD/LogD (pH 5.5): 6.90
ACD/BCF (pH 5.5): 103170.16
ACD/KOC (pH 5.5): 134983.59
ACD/LogD (pH 7.4): 6.90
ACD/BCF (pH 7.4): 103170.16
ACD/KOC (pH 7.4): 134983.59
Polar Surface Area: 50 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 48.6±5.0 dyne/cm
Molar Volume: 324.2±5.0 cm3

Click to predict properties on the Chemicalize site


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