ChemSpider 2D Image | 4-Pentylphenyl trans-4-butylcyclohexanecarboxylate | C22H34O2

4-Pentylphenyl trans-4-butylcyclohexanecarboxylate

  • Molecular FormulaC22H34O2
  • Average mass330.504 Da
  • Monoisotopic mass330.255890 Da
  • ChemSpider ID24957791

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-Pentylphenyl trans-4-butylcyclohexanecarboxylate [ACD/IUPAC Name]
4-Pentylphenyl trans-4-butyl-cyclohexanecarboxylate
4-Pentylphenyl-trans-4-butylcyclohexancarboxylat [German] [ACD/IUPAC Name]
70602-95-8 [RN]
Cyclohexanecarboxylic acid, 4-butyl-, 4-pentylphenyl ester, trans- [ACD/Index Name]
trans-4-Butylcyclohexanecarboxylate de 4-pentylphényle [French] [ACD/IUPAC Name]
4-PENTYLPHENYLTRANS-4-BUTYL-CYCLOHEXANECARBOXYLATE
trans-4-Butyl-cyclohexanecarboxylic acid 4-pentyl-phenyl ester
Trans-4-pentylphenyl 4-butylcyclohexanecarboxylate

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

Density: 1.0±0.1 g/cm3
Boiling Point: 430.5±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.6±3.0 kJ/mol
Flash Point: 138.5±11.9 °C
Index of Refraction: 1.499
Molar Refractivity: 100.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 8.29
ACD/LogD (pH 5.5): 7.66
ACD/BCF (pH 5.5): 386784.13
ACD/KOC (pH 5.5): 347602.47
ACD/LogD (pH 7.4): 7.66
ACD/BCF (pH 7.4): 386784.13
ACD/KOC (pH 7.4): 347602.47
Polar Surface Area: 26 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 35.3±3.0 dyne/cm
Molar Volume: 342.5±3.0 cm3

Click to predict properties on the Chemicalize site


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