ChemSpider 2D Image | 3,4,4-Trihydroxybutanoic acid | C4H8O5

3,4,4-Trihydroxybutanoic acid

  • Molecular FormulaC4H8O5
  • Average mass136.103 Da
  • Monoisotopic mass136.037170 Da
  • ChemSpider ID32993882

More details:

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

1314960-44-5 [RN]
3,4,4-Trihydroxybutanoic acid [ACD/IUPAC Name]
3,4,4-Trihydroxybutansäure [German] [ACD/IUPAC Name]
Acide 3,4,4-trihydroxybutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 3,4,4-trihydroxy- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 515.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.6±6.0 kJ/mol
Flash Point: 279.6±26.6 °C
Index of Refraction: 1.560
Molar Refractivity: 26.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -2.56
ACD/LogD (pH 5.5): -3.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 98 Å2
Polarizability: 10.6±0.5 10-24cm3
Surface Tension: 95.9±3.0 dyne/cm
Molar Volume: 82.5±3.0 cm3

Click to predict properties on the Chemicalize site


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