ChemSpider 2D Image | 4-Pentylphenyl (1r,1's,4r,4'R)-4'-propyl-1,1'-bi(cyclohexyl)-4-carboxylate | C27H42O2

4-Pentylphenyl (1r,1's,4r,4'R)-4'-propyl-1,1'-bi(cyclohexyl)-4-carboxylate

  • Molecular FormulaC27H42O2
  • Average mass398.621 Da
  • Monoisotopic mass398.318481 Da
  • ChemSpider ID29365551

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1r,1's,4r,4'R)-4'-Propyl-1,1'-bi(cyclohexyl)-4-carboxylate de 4-pentylphényle [French] [ACD/IUPAC Name]
[1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-propyl-, 4-pentylphenyl ester [ACD/Index Name]
4-Pentylphenyl (1r,1's,4r,4'R)-4'-propyl-1,1'-bi(cyclohexyl)-4-carboxylate [ACD/IUPAC Name]
4-Pentylphenyl-(1r,1's,4r,4'R)-4'-propyl-1,1'-bi(cyclohexyl)-4-carboxylat [German] [ACD/IUPAC Name]
84078-44-4 [RN]
(1r,1's,4R,4'R)-4-Pentylphenyl 4'-propyl-[1,1'-bi(cyclohexane)]-4-carboxylate
(trans,trans)-4-Pentylphenyl 4'-propyl-[1,1'-bi(cyclohexane)]-4-carboxylate
[1 1'-BICYCLOHEXYL]-4-CARBOXYLIC ACID 4'-PROPYL- 4-PENTYLPHENYL ESTER (TRANS TRANS)-
4-Pentylphenyl trans,trans-4'-propyl-1,1'-bicyclohexyl-4-carboxylate
4-pentylphenyl-4-propylbi(cyclohexane)-4-carboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.0±0.1 g/cm3
    Boiling Point: 498.8±24.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 76.7±3.0 kJ/mol
    Flash Point: 153.3±11.9 °C
    Index of Refraction: 1.511
    Molar Refractivity: 121.6±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 1
    ACD/LogP: 10.31
    ACD/LogD (pH 5.5): 9.03
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 1942478.88
    ACD/LogD (pH 7.4): 9.03
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 1942478.88
    Polar Surface Area: 26 Å2
    Polarizability: 48.2±0.5 10-24cm3
    Surface Tension: 37.0±3.0 dyne/cm
    Molar Volume: 406.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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