ChemSpider 2D Image | Ethyl (3R,4S)-3-hydroxy-4-methylhexanoate | C9H18O3

Ethyl (3R,4S)-3-hydroxy-4-methylhexanoate

  • Molecular FormulaC9H18O3
  • Average mass174.237 Da
  • Monoisotopic mass174.125595 Da
  • ChemSpider ID74988300

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4S)-3-Hydroxy-4-méthylhexanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl (3R,4S)-3-hydroxy-4-methylhexanoate [ACD/IUPAC Name]
Ethyl-(3R,4S)-3-hydroxy-4-methylhexanoat [German] [ACD/IUPAC Name]
Hexanoic acid, 3-hydroxy-4-methyl-, ethyl ester, (3R,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: 253.5±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 57.0±6.0 kJ/mol
Flash Point: 98.5±12.6 °C
Index of Refraction: 1.438
Molar Refractivity: 47.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.39
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 10.50
ACD/KOC (pH 5.5): 187.34
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 10.50
ACD/KOC (pH 7.4): 187.34
Polar Surface Area: 47 Å2
Polarizability: 18.6±0.5 10-24cm3
Surface Tension: 32.3±3.0 dyne/cm
Molar Volume: 178.8±3.0 cm3

Click to predict properties on the Chemicalize site


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