ChemSpider 2D Image | (2E)-5-Hydroxy-5-(hydroxymethyl)-2-pentadecyl-2-heptadecenedioic acid | C33H62O6

(2E)-5-Hydroxy-5-(hydroxymethyl)-2-pentadecyl-2-heptadecenedioic acid

  • Molecular FormulaC33H62O6
  • Average mass554.842 Da
  • Monoisotopic mass554.454651 Da
  • ChemSpider ID8432586

  • Double-bond stereo - Double-bond stereo

More details:

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

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 716.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.6±6.0 kJ/mol
Flash Point: 400.9±29.4 °C
Index of Refraction: 1.496
Molar Refractivity: 161.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 2
ACD/LogP: 10.87
ACD/LogD (pH 5.5): 8.56
ACD/BCF (pH 5.5): 815238.06
ACD/KOC (pH 5.5): 220246.42
ACD/LogD (pH 7.4): 5.48
ACD/BCF (pH 7.4): 683.77
ACD/KOC (pH 7.4): 184.73
Polar Surface Area: 115 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 551.0±3.0 cm3

Click to predict properties on the Chemicalize site


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