ChemSpider 2D Image | 4'-Cyano-4-biphenylyl trans-4-heptylcyclohexanecarboxylate | C27H33NO2

4'-Cyano-4-biphenylyl trans-4-heptylcyclohexanecarboxylate

  • Molecular FormulaC27H33NO2
  • Average mass403.556 Da
  • Monoisotopic mass403.251129 Da
  • ChemSpider ID23352159

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4'-Cyan-4-biphenylyl-trans-4-heptylcyclohexancarboxylat [German] [ACD/IUPAC Name]
4'-Cyano-[1,1'-biphenyl]-4-yl (trans)-4-heptylcyclohexane-1-carboxylate [ACD/IUPAC Name]
4'-Cyano-[1,1'-biphenyl]-4-yl trans-4-heptylcyclohexanecarboxylate
4'-Cyano-4-biphenylyl trans-4-heptylcyclohexanecarboxylate [ACD/IUPAC Name]
4'-Cyanobiphenyl-4-yl trans-4-heptylcyclohexanecarboxylate
77518-17-3 [RN]
Cyclohexanecarboxylic acid, 4-heptyl-, 4'-cyano[1,1'-biphenyl]-4-yl ester, trans- [ACD/Index Name]
L6TJ AVOR DR DCN&& D7 &&trans Form [WLN]
trans-4-Heptylcyclohexanecarboxylate de 4'-cyano-4-biphénylyle [French] [ACD/IUPAC Name]
4'-Cyano-4-biphenylyl 4-heptylcyclohexanecarboxylate [ACD/IUPAC Name]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 544.9±43.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 82.4±3.0 kJ/mol
    Flash Point: 277.1±14.9 °C
    Index of Refraction: 1.561
    Molar Refractivity: 120.6±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 1
    ACD/LogP: 8.37
    ACD/LogD (pH 5.5): 8.48
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 974825.50
    ACD/LogD (pH 7.4): 8.48
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 974825.50
    Polar Surface Area: 50 Å2
    Polarizability: 47.8±0.5 10-24cm3
    Surface Tension: 47.1±5.0 dyne/cm
    Molar Volume: 372.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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