ChemSpider 2D Image | (3S)-3-Hydroxy-3-methylhexanoic acid | C7H14O3

(3S)-3-Hydroxy-3-methylhexanoic acid

  • Molecular FormulaC7H14O3
  • Average mass146.184 Da
  • Monoisotopic mass146.094299 Da
  • ChemSpider ID32798968
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3S)-3-Hydroxy-3-methylhexanoic acid [ACD/IUPAC Name]
(3S)-3-Hydroxy-3-methylhexansäure [German] [ACD/IUPAC Name]
Acide (3S)-3-hydroxy-3-méthylhexanoïque [French] [ACD/IUPAC Name]
Hexanoic acid, 3-hydroxy-3-methyl-, (3S)- [ACD/Index Name]
(S)-3-Hydroxy-3-methylhexanoic acid
757219-38-8 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 265.4±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 58.4±6.0 kJ/mol
Flash Point: 128.5±19.1 °C
Index of Refraction: 1.463
Molar Refractivity: 37.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.27
ACD/LogD (pH 5.5): -0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.99
ACD/LogD (pH 7.4): -2.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 58 Å2
Polarizability: 14.9±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 136.3±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement