ChemSpider 2D Image | (3S)-3-Hydroxy-2,2-dimethylbutanoic acid | C6H12O3

(3S)-3-Hydroxy-2,2-dimethylbutanoic acid

  • Molecular FormulaC6H12O3
  • Average mass132.158 Da
  • Monoisotopic mass132.078644 Da
  • ChemSpider ID32989615

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Hydroxy-2,2-dimethylbutanoic acid [ACD/IUPAC Name]
(3S)-3-Hydroxy-2,2-dimethylbutansäure [German] [ACD/IUPAC Name]
Acide (3S)-3-hydroxy-2,2-diméthylbutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 3-hydroxy-2,2-dimethyl-, (3S)- [ACD/Index Name]
35304-49-5 [RN]
MFCD19229193

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

Density: 1.1±0.1 g/cm3
Boiling Point: 241.5±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 55.6±6.0 kJ/mol
Flash Point: 114.1±19.1 °C
Index of Refraction: 1.459
Molar Refractivity: 32.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.44
ACD/LogD (pH 5.5): -0.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.88
ACD/LogD (pH 7.4): -2.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 58 Å2
Polarizability: 13.0±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 120.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement