ChemSpider 2D Image | 3-(2-Cyano-2-propanyl)benzoic acid | C11H11NO2

3-(2-Cyano-2-propanyl)benzoic acid

  • Molecular FormulaC11H11NO2
  • Average mass189.210 Da
  • Monoisotopic mass189.078979 Da
  • ChemSpider ID28189743

More details:

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

3-(2-Cyan-2-propanyl)benzoesäure [German] [ACD/IUPAC Name]
3-(2-Cyano-2-propanyl)benzoic acid [ACD/IUPAC Name]
3-(2-cyanopropan-2-yl)benzoic acid
872091-00-4 [RN]
Acide 3-(2-cyano-2-propanyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-(1-cyano-1-methylethyl)- [ACD/Index Name]
[872091-00-4] [RN]
3-(1-cyano-1-methyl-ethyl)-benzoic acid
3-(1-CYANO-1-METHYLETHYL)BENZOIC ACID
3-(2-Cyano-2-propyl)benzoic Acid
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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: 1.2±0.1 g/cm3
    Boiling Point: 360.0±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 63.9±3.0 kJ/mol
    Flash Point: 171.5±23.2 °C
    Index of Refraction: 1.548
    Molar Refractivity: 51.5±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.82
    ACD/LogD (pH 5.5): 1.47
    ACD/BCF (pH 5.5): 3.41
    ACD/KOC (pH 5.5): 31.85
    ACD/LogD (pH 7.4): 0.00
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.08
    Polar Surface Area: 61 Å2
    Polarizability: 20.4±0.5 10-24cm3
    Surface Tension: 47.7±3.0 dyne/cm
    Molar Volume: 162.0±3.0 cm3

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