ChemSpider 2D Image | (2S,3R)-2-Hexyl-3-hydroxynonanoic acid | C15H30O3

(2S,3R)-2-Hexyl-3-hydroxynonanoic acid

  • Molecular FormulaC15H30O3
  • Average mass258.397 Da
  • Monoisotopic mass258.219482 Da
  • ChemSpider ID26327087
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2S,3R)-2-Hexyl-3-hydroxynonanoic acid [ACD/IUPAC Name]
(2S,3R)-2-Hexyl-3-hydroxynonansäure [German] [ACD/IUPAC Name]
Acide (2S,3R)-2-hexyl-3-hydroxynonanoïque [French] [ACD/IUPAC Name]
Nonanoic acid, 2-hexyl-3-hydroxy-, (2S,3R)- [ACD/Index Name]
KKJ

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

Density: 1.0±0.1 g/cm3
Boiling Point: 386.0±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 73.4±6.0 kJ/mol
Flash Point: 201.4±19.7 °C
Index of Refraction: 1.466
Molar Refractivity: 74.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 4.52
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 48.55
ACD/KOC (pH 5.5): 270.69
ACD/LogD (pH 7.4): 1.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.30
Polar Surface Area: 58 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 36.7±3.0 dyne/cm
Molar Volume: 269.0±3.0 cm3

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