ChemSpider 2D Image | 2,2',4'-Trimethyl-3-biphenylcarboxylic acid | C16H16O2

2,2',4'-Trimethyl-3-biphenylcarboxylic acid

  • Molecular FormulaC16H16O2
  • Average mass240.297 Da
  • Monoisotopic mass240.115036 Da
  • ChemSpider ID26524659

More details:

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

[1,1'-Biphenyl]-3-carboxylic acid, 2,2',4'-trimethyl- [ACD/Index Name]
1261971-09-8 [RN]
2,2',4'-Trimethyl-3-biphenylcarbonsäure [German] [ACD/IUPAC Name]
2,2',4'-Trimethyl-3-biphenylcarboxylic acid [ACD/IUPAC Name]
Acide 2,2',4'-triméthyl-3-biphénylcarboxylique [French] [ACD/IUPAC Name]
[1261971-09-8] [RN]
2,2',4'-Trimethyl[1,1'-biphenyl]-3-carboxylic acid
2,2',4'-Trimethyl-[1,1'-biphenyl]-3-carboxylic acid
3-(2,4-DIMETHYLPHENYL)-2-METHYLBENZOIC ACID
3-(2,4-Dimethylphenyl)-2-methylbenzoicacid
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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: 381.9±21.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 66.5±3.0 kJ/mol
    Flash Point: 179.5±16.7 °C
    Index of Refraction: 1.583
    Molar Refractivity: 72.3±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 1
    ACD/LogP: 5.22
    ACD/LogD (pH 5.5): 3.59
    ACD/BCF (pH 5.5): 129.29
    ACD/KOC (pH 5.5): 395.54
    ACD/LogD (pH 7.4): 2.20
    ACD/BCF (pH 7.4): 5.30
    ACD/KOC (pH 7.4): 16.21
    Polar Surface Area: 37 Å2
    Polarizability: 28.6±0.5 10-24cm3
    Surface Tension: 43.7±3.0 dyne/cm
    Molar Volume: 216.1±3.0 cm3

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