ChemSpider 2D Image | (2S)-2-Heptylundecanoic acid | C18H36O2

(2S)-2-Heptylundecanoic acid

  • Molecular FormulaC18H36O2
  • Average mass284.477 Da
  • Monoisotopic mass284.271515 Da
  • ChemSpider ID34990144

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Heptylundecanoic acid [ACD/IUPAC Name]
(2S)-2-Heptylundecansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-heptylundécanoïque [French] [ACD/IUPAC Name]
Undecanoic acid, 2-heptyl-, (2S)- [ACD/Index Name]
22890-21-7 [RN]
2-Heptylundecanoic acid [ACD/IUPAC Name]
UNII-E2U1CDE0CQ

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

Density: 0.9±0.1 g/cm3
Boiling Point: 400.8±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 71.5±6.0 kJ/mol
Flash Point: 225.6±8.2 °C
Index of Refraction: 1.455
Molar Refractivity: 87.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 8.03
ACD/LogD (pH 5.5): 7.00
ACD/BCF (pH 5.5): 81906.55
ACD/KOC (pH 5.5): 70258.79
ACD/LogD (pH 7.4): 5.21
ACD/BCF (pH 7.4): 1333.22
ACD/KOC (pH 7.4): 1143.62
Polar Surface Area: 37 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 32.8±3.0 dyne/cm
Molar Volume: 320.7±3.0 cm3

Click to predict properties on the Chemicalize site


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