ChemSpider 2D Image | 2-Ethoxy-4-(2-methyl-2-propanyl)benzoic acid | C13H18O3

2-Ethoxy-4-(2-methyl-2-propanyl)benzoic acid

  • Molecular FormulaC13H18O3
  • Average mass222.280 Da
  • Monoisotopic mass222.125595 Da
  • ChemSpider ID21373670

More details:

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

2-Ethoxy-4-(2-methyl-2-propanyl)benzoesäure [German] [ACD/IUPAC Name]
2-Ethoxy-4-(2-methyl-2-propanyl)benzoic acid [ACD/IUPAC Name]
4-(1,1-Dimethylethyl)-2-ethoxybenzoic acid
796875-53-1 [RN]
Acide 2-éthoxy-4-(2-méthyl-2-propanyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-(1,1-dimethylethyl)-2-ethoxy- [ACD/Index Name]
MFCD07366640 [MDL number]
QVR BO2 DX1&1&1 [WLN]
[796875-53-1] [RN]
2-(2-methyl-4-thiazolyl)acetate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 329.6±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.4±3.0 kJ/mol
    Flash Point: 118.9±19.4 °C
    Index of Refraction: 1.513
    Molar Refractivity: 62.9±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.71
    ACD/LogD (pH 5.5): 2.61
    ACD/BCF (pH 5.5): 30.63
    ACD/KOC (pH 5.5): 193.90
    ACD/LogD (pH 7.4): 0.97
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 4.42
    Polar Surface Area: 47 Å2
    Polarizability: 24.9±0.5 10-24cm3
    Surface Tension: 36.4±3.0 dyne/cm
    Molar Volume: 209.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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