ChemSpider 2D Image | cis-Vaccenic Acid-d13 | C18H21D13O2

cis-Vaccenic Acid-d13

  • Molecular FormulaC18H21D13O2
  • Average mass295.542 Da
  • Monoisotopic mass295.337463 Da
  • ChemSpider ID84400436
  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope


More details:






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

(11Z)-(13,13,14,14,15,15,16,16,17,17,18,18,18-2H13)-11-Octadecenoic acid [ACD/IUPAC Name]
(11Z)-(13,13,14,14,15,15,16,16,17,17,18,18,18-2H13)-11-Octadecensäure [German] [ACD/IUPAC Name]
11-Octadecenoic-13,13,14,14,15,15,16,16,17,17,18,18,18-d13 acid, (11Z)- [ACD/Index Name]
Acide (11Z)-(13,13,14,14,15,15,16,16,17,17,18,18,18-2H13)-11-octadécénoïque [French] [ACD/IUPAC Name]
cis-Vaccenic Acid-d13

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

Density: 0.9±0.1 g/cm3
Boiling Point: 398.2±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 71.2±6.0 kJ/mol
Flash Point: 295.0±14.4 °C
Index of Refraction: 1.467
Molar Refractivity: 87.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 7.70
ACD/LogD (pH 5.5): 6.11
ACD/BCF (pH 5.5): 16765.80
ACD/KOC (pH 5.5): 21831.79
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 268.95
ACD/KOC (pH 7.4): 350.22
Polar Surface Area: 37 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 33.9±3.0 dyne/cm
Molar Volume: 313.9±3.0 cm3

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