ChemSpider 2D Image | 3-[4-(3-Ethoxy-3-oxopropoxy)butoxy]propanoic acid | C12H22O6

3-[4-(3-Ethoxy-3-oxopropoxy)butoxy]propanoic acid

  • Molecular FormulaC12H22O6
  • Average mass262.299 Da
  • Monoisotopic mass262.141632 Da
  • ChemSpider ID21374271

More details:

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

3-[4-(2-Ethoxycarbonyl-ethoxy)-butoxy]-propionic acid
3-[4-(3-Ethoxy-3-oxopropoxy)butoxy]propanoic acid [ACD/IUPAC Name]
3-[4-(3-Ethoxy-3-oxopropoxy)butoxy]propansäure [German] [ACD/IUPAC Name]
886362-91-0 [RN]
Acide 3-[4-(3-éthoxy-3-oxopropoxy)butoxy]propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3,3'-[1,4-butanediylbis(oxy)]bis-, ethyl ester [ACD/Index Name]
3-(4-(3-Ethoxy-3-oxopropoxy)butoxy)propanoic acid
3-[4-(2-ETHOXYCARBONYL-ETHOXY)-BUTOXY]-PROPIONICACID
MFCD05863895
PROPANOIC ACID,3-[4-(2-CARBOXYETHOXY)BUTOXY]-, 1-ETHYL ESTER

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

PKC 412 [DBID]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 396.2±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 70.9±6.0 kJ/mol
    Flash Point: 143.6±18.6 °C
    Index of Refraction: 1.455
    Molar Refractivity: 64.5±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 0
    ACD/LogP: 1.05
    ACD/LogD (pH 5.5): -0.25
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 4.82
    ACD/LogD (pH 7.4): -2.04
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 82 Å2
    Polarizability: 25.6±0.5 10-24cm3
    Surface Tension: 39.5±3.0 dyne/cm
    Molar Volume: 237.4±3.0 cm3

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