ChemSpider 2D Image | Ethyl 8-(acetylthio)-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate | C13H18O5S

Ethyl 8-(acetylthio)-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate

  • Molecular FormulaC13H18O5S
  • Average mass286.344 Da
  • Monoisotopic mass286.087494 Da
  • ChemSpider ID57381615

More details:

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

1,4-Dioxaspiro[4.5]dec-7-ene-7-carboxylic acid, 8-(acetylthio)-, ethyl ester [ACD/Index Name]
8-(Acétylsulfanyl)-1,4-dioxaspiro[4.5]déc-7-ène-7-carboxylate d'éthyle [French] [ACD/IUPAC Name]
929557-79-9 [RN]
Ethyl 8-(acetylsulfanyl)-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate [ACD/IUPAC Name]
Ethyl 8-(acetylthio)-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate
Ethyl-8-(acetylsulfanyl)-1,4-dioxaspiro[4.5]dec-7-en-7-carboxylat [German] [ACD/IUPAC Name]
8-ACETYLSULFANYL-1,4-DIOXA-SPIRO[4.5]DEC-7-ENE-7-CARBOXYLIC ACID ETHYL ESTER
MFCD28404976

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 396.9±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.7±3.0 kJ/mol
    Flash Point: 190.7±15.9 °C
    Index of Refraction: 1.542
    Molar Refractivity: 71.1±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.39
    ACD/LogD (pH 5.5): 2.20
    ACD/BCF (pH 5.5): 27.89
    ACD/KOC (pH 5.5): 376.91
    ACD/LogD (pH 7.4): 2.20
    ACD/BCF (pH 7.4): 27.89
    ACD/KOC (pH 7.4): 376.91
    Polar Surface Area: 87 Å2
    Polarizability: 28.2±0.5 10-24cm3
    Surface Tension: 47.2±5.0 dyne/cm
    Molar Volume: 225.9±5.0 cm3

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