ChemSpider 2D Image | (2S)-2-[(2-Methoxy-2-propanyl)oxy]-1,4-butanediol | C8H18O4

(2S)-2-[(2-Methoxy-2-propanyl)oxy]-1,4-butanediol

  • Molecular FormulaC8H18O4
  • Average mass178.226 Da
  • Monoisotopic mass178.120514 Da
  • ChemSpider ID29365475

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-[(2-Methoxy-2-propanyl)oxy]-1,4-butandiol [German] [ACD/IUPAC Name]
(2S)-2-[(2-Methoxy-2-propanyl)oxy]-1,4-butanediol [ACD/IUPAC Name]
(2S)-2-[(2-Méthoxy-2-propanyl)oxy]-1,4-butanediol [French] [ACD/IUPAC Name]
1,4-Butanediol, 2-(1-methoxy-1-methylethoxy)-, (2S)- [ACD/Index Name]
(2S)-2-(1-methoxy-1-methyl-ethoxy)butane-1,4-diol
(S)-2-(1-methoxy-1-methylethoxy)-butanediol
1,4-Butanediol,2-(1-methoxy-1-methylethoxy)-, (S)- (9CI)
1,4-Butanediol,2-(1-methoxy-1-methylethoxy)-,(S)-(9ci)
66348-33-2 [RN]
MFCD02262045

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 287.0±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 61.1±6.0 kJ/mol
    Flash Point: 127.4±23.2 °C
    Index of Refraction: 1.453
    Molar Refractivity: 45.6±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: -0.35
    ACD/LogD (pH 5.5): -0.14
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 19.92
    ACD/LogD (pH 7.4): -0.14
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 19.92
    Polar Surface Area: 59 Å2
    Polarizability: 18.1±0.5 10-24cm3
    Surface Tension: 36.8±3.0 dyne/cm
    Molar Volume: 168.8±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement