ChemSpider 2D Image | Ethyl 2-(3-methoxybenzyl)-3-oxohexanoate | C16H22O4

Ethyl 2-(3-methoxybenzyl)-3-oxohexanoate

  • Molecular FormulaC16H22O4
  • Average mass278.344 Da
  • Monoisotopic mass278.151794 Da
  • ChemSpider ID26546623

More details:

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

2-(3-Méthoxybenzyl)-3-oxohexanoate d'éthyle [French] [ACD/IUPAC Name]
2-(3-METHOXY-BENZYL)-3-OXO-HEXANOIC ACID ETHYL ESTER
885279-96-9 [RN]
Benzenepropanoic acid, 3-methoxy-α-(1-oxobutyl)-, ethyl ester [ACD/Index Name]
Ethyl 2-(3-methoxybenzyl)-3-oxohexanoate [ACD/IUPAC Name]
Ethyl-2-(3-methoxybenzyl)-3-oxohexanoat [German] [ACD/IUPAC Name]
[885279-96-9] [RN]
2-(3-methoxybenzyl)-3-oxo-hexanoic acid ethyl ester
2-(3-METHOXY-BENZYL)-3-OXO-HEXANOICACIDETHYLESTER
BENZENEPROPANOIC ACID,3-METHOXY-A-(1-OXOBUTYL)-, ETHYL ESTER
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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: 378.1±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 62.6±3.0 kJ/mol
    Flash Point: 163.9±23.8 °C
    Index of Refraction: 1.495
    Molar Refractivity: 76.7±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 3.50
    ACD/LogD (pH 5.5): 3.09
    ACD/BCF (pH 5.5): 132.05
    ACD/KOC (pH 5.5): 1147.22
    ACD/LogD (pH 7.4): 3.09
    ACD/BCF (pH 7.4): 132.04
    ACD/KOC (pH 7.4): 1147.08
    Polar Surface Area: 53 Å2
    Polarizability: 30.4±0.5 10-24cm3
    Surface Tension: 36.6±3.0 dyne/cm
    Molar Volume: 262.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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