ChemSpider 2D Image | 4-Propylphenyl 4-(trans-4-pentylcyclohexyl)benzoate | C27H36O2

4-Propylphenyl 4-(trans-4-pentylcyclohexyl)benzoate

  • Molecular FormulaC27H36O2
  • Average mass392.573 Da
  • Monoisotopic mass392.271515 Da
  • ChemSpider ID18559352

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-(trans-4-Pentylcyclohexyl)benzoate de 4-propylphényle [French] [ACD/IUPAC Name]
4-Propylphenyl 4-(trans-4-pentylcyclohexyl)benzoate [ACD/IUPAC Name]
4-Propylphenyl-4-(trans-4-pentylcyclohexyl)benzoat [German] [ACD/IUPAC Name]
85005-66-9 [RN]
Benzoic acid, 4-(trans-4-pentylcyclohexyl)-, 4-propylphenyl ester [ACD/Index Name]
p-propylphenyl trans-p-(4-pentylcyclohexyl)benzoate
4-Propylphenyl 4-((1s,4r)-4-pentylcyclohexyl)benzoate
HP-53
MFCD16879083 [MDL number]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 514.9±39.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.7±3.0 kJ/mol
Flash Point: 217.8±24.5 °C
Index of Refraction: 1.533
Molar Refractivity: 121.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 10.25
ACD/LogD (pH 5.5): 8.88
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1614518.75
ACD/LogD (pH 7.4): 8.88
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1614518.75
Polar Surface Area: 26 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 390.5±3.0 cm3

Click to predict properties on the Chemicalize site


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