ChemSpider 2D Image | (2R,3R)-2-Hexyl-3-hydroxytridecanoic acid | C19H38O3

(2R,3R)-2-Hexyl-3-hydroxytridecanoic acid

  • Molecular FormulaC19H38O3
  • Average mass314.503 Da
  • Monoisotopic mass314.282104 Da
  • ChemSpider ID26326848
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2R,3R)-2-Hexyl-3-hydroxytridecanoic acid [ACD/IUPAC Name]
(2R,3R)-2-Hexyl-3-hydroxytridecansäure [German] [ACD/IUPAC Name]
Acide (2R,3R)-2-hexyl-3-hydroxytridécanoïque [French] [ACD/IUPAC Name]
Tridecanoic acid, 2-hexyl-3-hydroxy-, (2R,3R)- [ACD/Index Name]
FGM

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

Density: 0.9±0.1 g/cm3
Boiling Point: 441.0±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.6±6.0 kJ/mol
Flash Point: 234.6±20.5 °C
Index of Refraction: 1.468
Molar Refractivity: 93.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 6.65
ACD/LogD (pH 5.5): 5.45
ACD/BCF (pH 5.5): 4418.83
ACD/KOC (pH 5.5): 6832.90
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 70.26
ACD/KOC (pH 7.4): 108.64
Polar Surface Area: 58 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 36.1±3.0 dyne/cm
Molar Volume: 335.0±3.0 cm3

Click to predict properties on the Chemicalize site






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