ChemSpider 2D Image | GUAIACOL VALERATE | C12H16O3

GUAIACOL VALERATE

  • Molecular FormulaC12H16O3
  • Average mass208.254 Da
  • Monoisotopic mass208.109940 Da
  • ChemSpider ID21585814

More details:

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

2-Methoxyphenyl valerate [ACD/IUPAC Name]
2-Methoxyphenylvalerat [German] [ACD/IUPAC Name]
531-39-5 [RN]
GUAIACOL VALERATE
Pentanoic acid, 2-methoxyphenyl ester [ACD/Index Name]
Valérate de 2-méthoxyphényle [French] [ACD/IUPAC Name]
(2-methoxyphenyl) pentanoate
2-methoxyphenyl pentanoate
AC1LWFUG
Geosot
More...

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

LL7769COGF [DBID]
AN-652/42190962 [DBID]
UNII:LL7769COGF [DBID]
UNII-LL7769COGF [DBID]
ZINC02065802 [DBID]

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 265.5±13.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 50.3±3.0 kJ/mol
    Flash Point: 105.6±14.4 °C
    Index of Refraction: 1.492
    Molar Refractivity: 58.2±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.97
    ACD/LogD (pH 5.5): 2.78
    ACD/BCF (pH 5.5): 76.75
    ACD/KOC (pH 5.5): 777.99
    ACD/LogD (pH 7.4): 2.78
    ACD/BCF (pH 7.4): 76.75
    ACD/KOC (pH 7.4): 777.99
    Polar Surface Area: 36 Å2
    Polarizability: 23.1±0.5 10-24cm3
    Surface Tension: 34.1±3.0 dyne/cm
    Molar Volume: 200.6±3.0 cm3

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