ChemSpider 2D Image | 4'-(3-{4-[(1E)-3-Ethyl-3-hydroxy-1-penten-1-yl]-3-methylphenyl}-3-pentanyl)-2'-methyl-3-biphenylcarboxylic acid | C33H40O3

4'-(3-{4-[(1E)-3-Ethyl-3-hydroxy-1-penten-1-yl]-3-methylphenyl}-3-pentanyl)-2'-methyl-3-biphenylcarboxylic acid

  • Molecular FormulaC33H40O3
  • Average mass484.669 Da
  • Monoisotopic mass484.297760 Da
  • ChemSpider ID29407140

  • Double-bond stereo - Double-bond stereo

More details:

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

[1,1'-Biphenyl]-3-carboxylic acid, 4'-[1-ethyl-1-[4-[(1E)-3-ethyl-3-hydroxy-1-penten-1-yl]-3-methylphenyl]propyl]-2'-methyl- [ACD/Index Name]
4'-(3-{4-[(1E)-3-Ethyl-3-hydroxy-1-penten-1-yl]-3-methylphenyl}-3-pentanyl)-2'-methyl-3-biphenylcarbonsäure [German] [ACD/IUPAC Name]
4'-(3-{4-[(1E)-3-Ethyl-3-hydroxy-1-penten-1-yl]-3-methylphenyl}-3-pentanyl)-2'-methyl-3-biphenylcarboxylic acid [ACD/IUPAC Name]
Acide 4'-(3-{4-[(1E)-3-éthyl-3-hydroxy-1-pentén-1-yl]-3-méthylphényl}-3-pentanyl)-2'-méthyl-3-biphénylcarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 627.6±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.6±3.0 kJ/mol
Flash Point: 347.4±24.7 °C
Index of Refraction: 1.584
Molar Refractivity: 150.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 9.74
ACD/LogD (pH 5.5): 7.48
ACD/BCF (pH 5.5): 133774.05
ACD/KOC (pH 5.5): 66230.54
ACD/LogD (pH 7.4): 5.95
ACD/BCF (pH 7.4): 3958.33
ACD/KOC (pH 7.4): 1959.74
Polar Surface Area: 58 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 450.6±3.0 cm3

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