ChemSpider 2D Image | 3-Pentylphenyl 4-pentylbenzoate | C23H30O2

3-Pentylphenyl 4-pentylbenzoate

  • Molecular FormulaC23H30O2
  • Average mass338.483 Da
  • Monoisotopic mass338.224579 Da
  • ChemSpider ID21513751

More details:

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

1-pentyl-4-(4-pentylbenzyl)benzene
3-Pentylphenyl 4-pentylbenzoate [ACD/IUPAC Name]
3-Pentylphenyl-4-pentylbenzoat [German] [ACD/IUPAC Name]
4-Pentylbenzoate de 3-pentylphényle [French] [ACD/IUPAC Name]
Benzoic acid, 4-pentyl-, 3-pentylphenyl ester [ACD/Index Name]

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 462.2±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.3±3.0 kJ/mol
Flash Point: 195.7±23.1 °C
Index of Refraction: 1.533
Molar Refractivity: 104.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 8.76
ACD/LogD (pH 5.5): 8.10
ACD/BCF (pH 5.5): 843873.13
ACD/KOC (pH 5.5): 607572.94
ACD/LogD (pH 7.4): 8.10
ACD/BCF (pH 7.4): 843873.13
ACD/KOC (pH 7.4): 607572.94
Polar Surface Area: 26 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 337.5±3.0 cm3

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