ChemSpider 2D Image | Methyl (3S)-3-hydroxytridecanoate | C14H28O3

Methyl (3S)-3-hydroxytridecanoate

  • Molecular FormulaC14H28O3
  • Average mass244.370 Da
  • Monoisotopic mass244.203842 Da
  • ChemSpider ID114101217

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Hydroxytridécanoate de méthyle [French] [ACD/IUPAC Name]
Methyl (3S)-3-hydroxytridecanoate [ACD/IUPAC Name]
Methyl-(3S)-3-hydroxytridecanoat [German] [ACD/IUPAC Name]
Tridecanoic acid, 3-hydroxy-, methyl ester, (3S)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 343.6±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 68.0±6.0 kJ/mol
Flash Point: 132.2±13.2 °C
Index of Refraction: 1.450
Molar Refractivity: 70.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 4.71
ACD/BCF (pH 5.5): 2249.14
ACD/KOC (pH 5.5): 8729.09
ACD/LogD (pH 7.4): 4.71
ACD/BCF (pH 7.4): 2249.13
ACD/KOC (pH 7.4): 8729.09
Polar Surface Area: 47 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 33.5±3.0 dyne/cm
Molar Volume: 261.0±3.0 cm3

Click to predict properties on the Chemicalize site


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