ChemSpider 2D Image | 4-Pentylphenyl 4-(4-pentylcyclohexyl)benzoate | C29H40O2

4-Pentylphenyl 4-(4-pentylcyclohexyl)benzoate

  • Molecular FormulaC29H40O2
  • Average mass420.627 Da
  • Monoisotopic mass420.302826 Da
  • ChemSpider ID16488290

More details:

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

4-(4-Pentylcyclohexyl)benzoate de 4-pentylphényle [French] [ACD/IUPAC Name]
4-Pentylphenyl 4-(4-pentylcyclohexyl)benzoate [ACD/IUPAC Name]
4-Pentylphenyl-4-(4-pentylcyclohexyl)benzoat [German] [ACD/IUPAC Name]
Benzoic acid, 4-(4-pentylcyclohexyl)-, 4-pentylphenyl ester [ACD/Index Name]
4-Pentylphenyl 4-(trans-4-pentylcyclohexyl)benzoate [ACD/IUPAC Name]
81929-44-4 [RN]
MFCD11053462 [MDL number]
trans-4-(4-n-Pentylcyclohexyl)benzoic acid 4-n-pentylphenyl ester

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

Density: 1.0±0.1 g/cm3
Boiling Point: 538.0±39.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 227.3±24.5 °C
Index of Refraction: 1.528
Molar Refractivity: 130.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 11.31
ACD/LogD (pH 5.5): 10.06
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 7099773.00
ACD/LogD (pH 7.4): 10.06
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 7099773.00
Polar Surface Area: 26 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 423.5±3.0 cm3

Click to predict properties on the Chemicalize site


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