ChemSpider 2D Image | 4-(trans-4-Propylcyclohexyl)phenyl 4-(pentyloxy)benzoate | C27H36O3

4-(trans-4-Propylcyclohexyl)phenyl 4-(pentyloxy)benzoate

  • Molecular FormulaC27H36O3
  • Average mass408.573 Da
  • Monoisotopic mass408.266449 Da
  • ChemSpider ID24957690

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-(Pentyloxy)benzoate de 4-(trans-4-propylcyclohexyl)phényle [French] [ACD/IUPAC Name]
4-(trans-4-Propylcyclohexyl)phenyl 4-(pentyloxy)benzoate [ACD/IUPAC Name]
4-(trans-4-Propylcyclohexyl)phenyl-4-(pentyloxy)benzoat [German] [ACD/IUPAC Name]
Benzoic acid, 4-(pentyloxy)-, 4-(trans-4-propylcyclohexyl)phenyl ester [ACD/Index Name]
1233010-34-8 [RN]
4-(TRANS-4-PROPYLCYCLOHEXYL)-PHENYL 4-PENTYLOXYBENZOATE

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

Density: 1.0±0.1 g/cm3
Boiling Point: 533.3±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 232.1±22.8 °C
Index of Refraction: 1.530
Molar Refractivity: 122.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 9.96
ACD/LogD (pH 5.5): 8.63
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1179648.25
ACD/LogD (pH 7.4): 8.63
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1179648.25
Polar Surface Area: 36 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 38.3±3.0 dyne/cm
Molar Volume: 398.2±3.0 cm3

Click to predict properties on the Chemicalize site


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