ChemSpider 2D Image | (2S)-2,4-Pentanediol | C5H12O2

(2S)-2,4-Pentanediol

  • Molecular FormulaC5H12O2
  • Average mass104.148 Da
  • Monoisotopic mass104.083733 Da
  • ChemSpider ID34978528

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2S)-2,4-Pentandiol [German] [ACD/IUPAC Name]
(2S)-2,4-Pentanediol [ACD/IUPAC Name]
(2S)-2,4-Pentanediol [French] [ACD/IUPAC Name]
2,4-Pentanediol, (2S)- [ACD/Index Name]
(2S)-pentane-2,4-diol
(R,R)-2,4-Pentanediol
2,4-Pentanediol [ACD/Index Name] [ACD/IUPAC Name]
36402-52-5 [RN]
42075-32-1 [RN]
625-69-4 [RN]

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 199.5±0.0 °C at 760 mmHg
    Vapour Pressure: 0.1±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 50.7±6.0 kJ/mol
    Flash Point: 101.7±0.0 °C
    Index of Refraction: 1.441
    Molar Refractivity: 28.2±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.34
    ACD/LogD (pH 5.5): -0.42
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 14.12
    ACD/LogD (pH 7.4): -0.42
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 14.12
    Polar Surface Area: 40 Å2
    Polarizability: 11.2±0.5 10-24cm3
    Surface Tension: 34.7±3.0 dyne/cm
    Molar Volume: 106.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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