ChemSpider 2D Image | 4-Propylphenyl trans-4-pentylcyclohexanecarboxylate | C21H32O2

4-Propylphenyl trans-4-pentylcyclohexanecarboxylate

  • Molecular FormulaC21H32O2
  • Average mass316.478 Da
  • Monoisotopic mass316.240234 Da
  • ChemSpider ID28291239
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

4-Propylphenyl trans-4-pentylcyclohexanecarboxylate [ACD/IUPAC Name]
4-Propylphenyl-trans-4-pentylcyclohexancarboxylat [German] [ACD/IUPAC Name]
67589-71-3 [RN]
Cyclohexanecarboxylic acid, 4-pentyl-, 4-propylphenyl ester, trans- [ACD/Index Name]
trans-4-Pentylcyclohexanecarboxylate de 4-propylphényle [French] [ACD/IUPAC Name]
trans-4-pentylcyclohexanecarboxylic acid 4-propylphenyl ester
4-N-PROPYLPHENYL TRANS-4-N-PENTYLCYCLOHEXANECARBOXYLATE
4-PROPYLPHENYL-4'-TRANS-PENTYLCYCLOHEXYLCARBOXYLATE
4-PROPYLPHENYL-4-TRANS-PENTYLCYCLOHEXYLCARBOXYLATE
MFCD09751072 [MDL number]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 416.8±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.0±3.0 kJ/mol
Flash Point: 135.4±11.9 °C
Index of Refraction: 1.500
Molar Refractivity: 95.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 7.76
ACD/LogD (pH 5.5): 7.28
ACD/BCF (pH 5.5): 202741.63
ACD/KOC (pH 5.5): 218919.94
ACD/LogD (pH 7.4): 7.28
ACD/BCF (pH 7.4): 202741.63
ACD/KOC (pH 7.4): 218919.94
Polar Surface Area: 26 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 35.3±3.0 dyne/cm
Molar Volume: 326.0±3.0 cm3

Click to predict properties on the Chemicalize site






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