ChemSpider 2D Image | tert-Butyl 4-hydroxybutyrate | C8H16O3

tert-Butyl 4-hydroxybutyrate

  • Molecular FormulaC8H16O3
  • Average mass160.211 Da
  • Monoisotopic mass160.109940 Da
  • ChemSpider ID21373749

More details:






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

2-Methyl-2-propanyl 4-hydroxybutanoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-hydroxybutanoat [German] [ACD/IUPAC Name]
4-Hydroxybutanoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
59854-12-5 [RN]
Butanoic acid, 4-hydroxy-, 1,1-dimethylethyl ester [ACD/Index Name]
MFCD02684391 [MDL number]
tert-Butyl 4-hydroxybutanoate
tert-Butyl 4-hydroxybutyrate
[59854-12-5] [RN]
1357387-31-5 [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.0±0.1 g/cm3
    Boiling Point: 228.9±23.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 54.1±6.0 kJ/mol
    Flash Point: 87.7±15.4 °C
    Index of Refraction: 1.438
    Molar Refractivity: 42.4±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.13
    ACD/LogD (pH 5.5): 1.15
    ACD/BCF (pH 5.5): 4.44
    ACD/KOC (pH 5.5): 101.11
    ACD/LogD (pH 7.4): 1.15
    ACD/BCF (pH 7.4): 4.44
    ACD/KOC (pH 7.4): 101.11
    Polar Surface Area: 47 Å2
    Polarizability: 16.8±0.5 10-24cm3
    Surface Tension: 32.9±3.0 dyne/cm
    Molar Volume: 161.6±3.0 cm3

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