ChemSpider 2D Image | 5-(Adamantan-1-yl)-2-methoxybenzoic acid | C18H22O3

5-(Adamantan-1-yl)-2-methoxybenzoic acid

  • Molecular FormulaC18H22O3
  • Average mass286.366 Da
  • Monoisotopic mass286.156891 Da
  • ChemSpider ID24756443

More details:

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

5-(Adamantan-1-yl)-2-methoxybenzoesäure [German] [ACD/IUPAC Name]
5-(Adamantan-1-yl)-2-methoxybenzoic acid [ACD/IUPAC Name]
Acide 5-(adamantan-1-yl)-2-méthoxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-methoxy-5-tricyclo[3.3.1.13,7]dec-1-yl- [ACD/Index Name]
5-(1-adamantyl)-2-methoxybenzoic acid
5-Adamantan-1-yl-2-methoxy-benzoic acid
5-adamantanyl-2-methoxybenzoic acid
895703-50-1 [RN]
MFCD03104850 [MDL number]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 444.0±38.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 74.0±3.0 kJ/mol
    Flash Point: 161.0±20.3 °C
    Index of Refraction: 1.598
    Molar Refractivity: 80.2±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 4.84
    ACD/LogD (pH 5.5): 3.42
    ACD/BCF (pH 5.5): 108.72
    ACD/KOC (pH 5.5): 404.81
    ACD/LogD (pH 7.4): 1.89
    ACD/BCF (pH 7.4): 3.24
    ACD/KOC (pH 7.4): 12.08
    Polar Surface Area: 47 Å2
    Polarizability: 31.8±0.5 10-24cm3
    Surface Tension: 52.8±3.0 dyne/cm
    Molar Volume: 234.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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