ChemSpider 2D Image | CHEMBRDG-BB 4012560 | C9H12OS

CHEMBRDG-BB 4012560

  • Molecular FormulaC9H12OS
  • Average mass168.256 Da
  • Monoisotopic mass168.060883 Da
  • ChemSpider ID21612722

More details:

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

1-(2,5-Dimethyl-3-thienyl)-1-propanon [German] [ACD/IUPAC Name]
1-(2,5-Dimethyl-3-thienyl)-1-propanone [ACD/IUPAC Name]
1-(2,5-Diméthyl-3-thiényl)-1-propanone [French] [ACD/IUPAC Name]
1-(2,5-Dimethylthiophen-3-yl)propan-1-one
1-Propanone, 1-(2,5-dimethyl-3-thienyl)- [ACD/Index Name]
32427-84-2 [RN]
CHEMBRDG-BB 4012560
1-(2,5-dimethyl-3-thienyl)propan-1-one
1-(2,5-dimethylthien-3-yl)propan-1-one
MFCD08059888 [MDL number]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 248.5±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 48.6±3.0 kJ/mol
    Flash Point: 104.1±25.9 °C
    Index of Refraction: 1.526
    Molar Refractivity: 48.9±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.89
    ACD/LogD (pH 5.5): 2.74
    ACD/BCF (pH 5.5): 70.90
    ACD/KOC (pH 5.5): 735.01
    ACD/LogD (pH 7.4): 2.74
    ACD/BCF (pH 7.4): 70.90
    ACD/KOC (pH 7.4): 735.01
    Polar Surface Area: 45 Å2
    Polarizability: 19.4±0.5 10-24cm3
    Surface Tension: 36.0±3.0 dyne/cm
    Molar Volume: 159.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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