ChemSpider 2D Image | (2S,4S)-4-Hydroxy-2-propylpentanoic acid | C8H16O3

(2S,4S)-4-Hydroxy-2-propylpentanoic acid

  • Molecular FormulaC8H16O3
  • Average mass160.211 Da
  • Monoisotopic mass160.109940 Da
  • ChemSpider ID57643602
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2S,4S)-4-Hydroxy-2-propylpentanoic acid [ACD/IUPAC Name]
(2S,4S)-4-Hydroxy-2-propylpentansäure [German] [ACD/IUPAC Name]
Acide (2S,4S)-4-hydroxy-2-propylpentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 4-hydroxy-2-propyl-, (2S,4S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 297.5±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 62.3±6.0 kJ/mol
Flash Point: 147.9±19.1 °C
Index of Refraction: 1.461
Molar Refractivity: 42.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.06
ACD/LogD (pH 5.5): 0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.88
ACD/LogD (pH 7.4): -1.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 58 Å2
Polarizability: 16.7±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 153.5±3.0 cm3

Click to predict properties on the Chemicalize site






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