ChemSpider 2D Image | Isobutyl 2,2-dimethyl-5-(2,5-xylyloxy)valerate | C19H30O3

Isobutyl 2,2-dimethyl-5-(2,5-xylyloxy)valerate

  • Molecular FormulaC19H30O3
  • Average mass306.440 Da
  • Monoisotopic mass306.219482 Da
  • ChemSpider ID21168630

More details:

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

149105-26-0 [RN]
2-methylpropyl 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate
5-(2,5-Diméthylphénoxy)-2,2-diméthylpentanoate d'isobutyle [French] [ACD/IUPAC Name]
DL-Naproxen:2,2-Dimethyl-5-(2,5xylyloxy) valeric isobutyl ester[Gemfibrozil intermediate]
Isobutyl 2,2-dimethyl-5-(2,5-xylyloxy)valerate
Isobutyl 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate [ACD/IUPAC Name]
Isobutyl-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoat [German] [ACD/IUPAC Name]
Pentanoic acid, 5-(2,5-dimethylphenoxy)-2,2-dimethyl-, 2-methylpropyl ester [ACD/Index Name]
[149105-26-0] [RN]
2,2-Dimethyl-5-(2,5xylyloxy) valeric isobutyl ester
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.0±0.1 g/cm3
    Boiling Point: 390.0±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.9±3.0 kJ/mol
    Flash Point: 164.4±19.2 °C
    Index of Refraction: 1.487
    Molar Refractivity: 90.6±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 5.84
    ACD/LogD (pH 5.5): 5.58
    ACD/BCF (pH 5.5): 10302.95
    ACD/KOC (pH 5.5): 25945.78
    ACD/LogD (pH 7.4): 5.58
    ACD/BCF (pH 7.4): 10302.95
    ACD/KOC (pH 7.4): 25945.78
    Polar Surface Area: 36 Å2
    Polarizability: 35.9±0.5 10-24cm3
    Surface Tension: 32.9±3.0 dyne/cm
    Molar Volume: 315.0±3.0 cm3

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