ChemSpider 2D Image | tert-Butyl 3-(3-methylpyridin-2-yl)benzoate | C17H19NO2

tert-Butyl 3-(3-methylpyridin-2-yl)benzoate

  • Molecular FormulaC17H19NO2
  • Average mass269.338 Da
  • Monoisotopic mass269.141571 Da
  • ChemSpider ID29211755

More details:

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

1083057-12-8 [RN]
2-Methyl-2-propanyl 3-(3-methyl-2-pyridinyl)benzoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-(3-methyl-2-pyridinyl)benzoat [German] [ACD/IUPAC Name]
3-(3-Méthyl-2-pyridinyl)benzoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-(3-methyl-2-pyridinyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-Butyl 3-(3-methylpyridin-2-yl)benzoate
[1083057-12-8] [RN]
AGN-PC-0BVGRQ
AKOS016845650
CS-M2540
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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: 386.8±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.6±3.0 kJ/mol
    Flash Point: 187.7±24.6 °C
    Index of Refraction: 1.544
    Molar Refractivity: 79.4±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 4.30
    ACD/LogD (pH 5.5): 4.43
    ACD/BCF (pH 5.5): 1343.97
    ACD/KOC (pH 5.5): 5925.11
    ACD/LogD (pH 7.4): 4.46
    ACD/BCF (pH 7.4): 1435.08
    ACD/KOC (pH 7.4): 6326.78
    Polar Surface Area: 39 Å2
    Polarizability: 31.5±0.5 10-24cm3
    Surface Tension: 39.7±3.0 dyne/cm
    Molar Volume: 251.7±3.0 cm3

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