ChemSpider 2D Image | 4-(trans-4-Propylcyclohexyl)phenyl 4'-propyl-1,1'-bi(cyclohexyl)-4-carboxylate | C31H48O2

4-(trans-4-Propylcyclohexyl)phenyl 4'-propyl-1,1'-bi(cyclohexyl)-4-carboxylate

  • Molecular FormulaC31H48O2
  • Average mass452.712 Da
  • Monoisotopic mass452.365417 Da
  • ChemSpider ID23353510

  • defined stereocentres - 2 of 6 defined stereocentres

More details:

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

[1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-propyl-, 4-(trans-4-propylcyclohexyl)phenyl ester [ACD/Index Name]
4-(trans-4-Propylcyclohexyl)phenyl 4'-propyl-1,1'-bi(cyclohexyl)-4-carboxylate [ACD/IUPAC Name]
4-(trans-4-Propylcyclohexyl)phenyl-4'-propyl-1,1'-bi(cyclohexyl)-4-carboxylat [German] [ACD/IUPAC Name]
4'-Propyl-1,1'-bi(cyclohexyl)-4-carboxylate de 4-(trans-4-propylcyclohexyl)phényle [French] [ACD/IUPAC Name]
(Trans,trans)-4'-propyl[1,1'-Bicyclohexyl]-4-carboxyllic acid-4-(trans-4-propylcyclohexyl)phenyl ester
4-(trans-4-Propylcyclohexyl)phenyl-trans-(4-propylcyclohexyl)cyclohexanecarboxylate
88038-92-0 [RN]
DS-15545
MFCD00673705 [MDL number]

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 550.8±29.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 83.1±3.0 kJ/mol
    Flash Point: 164.2±13.2 °C
    Index of Refraction: 1.513
    Molar Refractivity: 138.0±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 11.80
    ACD/LogD (pH 5.5): 10.53
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 10000000.00
    ACD/LogD (pH 7.4): 10.53
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 10000000.00
    Polar Surface Area: 26 Å2
    Polarizability: 54.7±0.5 10-24cm3
    Surface Tension: 36.5±3.0 dyne/cm
    Molar Volume: 459.1±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement