ChemSpider 2D Image | Methyl 1,4-dithiaspiro[4.4]nonane-7-carboxylate | C9H14O2S2

Methyl 1,4-dithiaspiro[4.4]nonane-7-carboxylate

  • Molecular FormulaC9H14O2S2
  • Average mass218.336 Da
  • Monoisotopic mass218.043518 Da
  • ChemSpider ID35505222

More details:

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

1,4-Dithiaspiro[4.4]nonane-7-carboxylate de méthyle [French] [ACD/IUPAC Name]
1,4-Dithiaspiro[4.4]nonane-7-carboxylic acid, methyl ester [ACD/Index Name]
Methyl 1,4-dithiaspiro[4.4]nonane-7-carboxylate [ACD/IUPAC Name]
Methyl-1,4-dithiaspiro[4.4]nonan-7-carboxylat [German] [ACD/IUPAC Name]
1,4-Dithia-spiro[4.4]nonane-7-carboxylic acid methyl ester
1823582-16-6 [RN]
MFCD28146481

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 324.5±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.7±3.0 kJ/mol
    Flash Point: 154.3±14.5 °C
    Index of Refraction: 1.581
    Molar Refractivity: 57.5±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.59
    ACD/LogD (pH 5.5): 2.06
    ACD/BCF (pH 5.5): 21.57
    ACD/KOC (pH 5.5): 313.58
    ACD/LogD (pH 7.4): 2.06
    ACD/BCF (pH 7.4): 21.57
    ACD/KOC (pH 7.4): 313.58
    Polar Surface Area: 77 Å2
    Polarizability: 22.8±0.5 10-24cm3
    Surface Tension: 48.7±5.0 dyne/cm
    Molar Volume: 172.6±5.0 cm3

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