ChemSpider 2D Image | 4-Pentylphenyl 2-(trans-4-ethylcyclohexyl)benzoate | C26H34O2

4-Pentylphenyl 2-(trans-4-ethylcyclohexyl)benzoate

  • Molecular FormulaC26H34O2
  • Average mass378.547 Da
  • Monoisotopic mass378.255890 Da
  • ChemSpider ID24609153

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-(trans-4-Éthylcyclohexyl)benzoate de 4-pentylphényle [French] [ACD/IUPAC Name]
4-Pentylphenyl 2-(trans-4-ethylcyclohexyl)benzoate [ACD/IUPAC Name]
4-Pentylphenyl-2-(trans-4-ethylcyclohexyl)benzoat [German] [ACD/IUPAC Name]
Benzoic acid, 2-(trans-4-ethylcyclohexyl)-, 4-pentylphenyl ester [ACD/Index Name]
122230-64-2 [RN]
4-pentylphenyl 4'-trans-ethylcyclohexylbenzoate

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

Density: 1.0±0.1 g/cm3
Boiling Point: 494.2±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.1±3.0 kJ/mol
Flash Point: 209.2±23.1 °C
Index of Refraction: 1.536
Molar Refractivity: 116.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 9.72
ACD/LogD (pH 5.5): 8.97
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1808762.00
ACD/LogD (pH 7.4): 8.97
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1808762.00
Polar Surface Area: 26 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 38.4±3.0 dyne/cm
Molar Volume: 374.0±3.0 cm3

Click to predict properties on the Chemicalize site


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