ChemSpider 2D Image | (2E)-2-Hexadecyl-5-hydroxy-5-(hydroxymethyl)-2-heptadecenedioic acid | C34H64O6

(2E)-2-Hexadecyl-5-hydroxy-5-(hydroxymethyl)-2-heptadecenedioic acid

  • Molecular FormulaC34H64O6
  • Average mass568.868 Da
  • Monoisotopic mass568.470276 Da
  • ChemSpider ID8501135
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E)-2-Hexadecyl-5-hydroxy-5-(hydroxymethyl)-2-heptadecendisäure [German] [ACD/IUPAC Name]
(2E)-2-Hexadecyl-5-hydroxy-5-(hydroxymethyl)-2-heptadecenedioic acid [ACD/IUPAC Name]
2-Heptadecenedioic acid, 2-hexadecyl-5-hydroxy-5-(hydroxymethyl)-, (2E)- [ACD/Index Name]
Acide (2E)-2-hexadécyl-5-hydroxy-5-(hydroxyméthyl)-2-heptadécènedioïque [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 725.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.9±6.0 kJ/mol
Flash Point: 406.2±29.4 °C
Index of Refraction: 1.495
Molar Refractivity: 165.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 2
ACD/LogP: 11.40
ACD/LogD (pH 5.5): 8.95
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 361741.03
ACD/LogD (pH 7.4): 5.88
ACD/BCF (pH 7.4): 1367.65
ACD/KOC (pH 7.4): 303.41
Polar Surface Area: 115 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 567.5±3.0 cm3

Click to predict properties on the Chemicalize site






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