ChemSpider 2D Image | 3-(2-Thienyl)-1,5-pentanediol | C9H14O2S

3-(2-Thienyl)-1,5-pentanediol

  • Molecular FormulaC9H14O2S
  • Average mass186.271 Da
  • Monoisotopic mass186.071457 Da
  • ChemSpider ID30769469

More details:

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

1,5-Pentanediol, 3-(2-thienyl)- [ACD/Index Name]
3-(2-Thienyl)-1,5-pentandiol [German] [ACD/IUPAC Name]
3-(2-Thienyl)-1,5-pentanediol [ACD/IUPAC Name]
3-(2-Thiényl)-1,5-pentanediol [French] [ACD/IUPAC Name]
1447967-09-0 [RN]
3-(2-thienyl)pentane-1,5-diol
3-(thiophen-2-yl)pentane-1,5-diol
3-thiophen-2-ylpentane-1,5-diol
F2189-0960
MFCD24387851

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 361.1±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.0±3.0 kJ/mol
    Flash Point: 172.2±23.7 °C
    Index of Refraction: 1.565
    Molar Refractivity: 51.2±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 0.57
    ACD/LogD (pH 5.5): 1.03
    ACD/BCF (pH 5.5): 3.55
    ACD/KOC (pH 5.5): 86.12
    ACD/LogD (pH 7.4): 1.03
    ACD/BCF (pH 7.4): 3.55
    ACD/KOC (pH 7.4): 86.12
    Polar Surface Area: 69 Å2
    Polarizability: 20.3±0.5 10-24cm3
    Surface Tension: 50.5±3.0 dyne/cm
    Molar Volume: 157.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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