ChemSpider 2D Image | (9Z,12Z,15Z)-(2,2,3,3,4,4,5,5,6,6,7,7,8,8-~2~H_14_)-9,12,15-Octadecatrienoic acid | C18H16D14O2

(9Z,12Z,15Z)-(2,2,3,3,4,4,5,5,6,6,7,7,8,8-2H14)-9,12,15-Octadecatrienoic acid

  • Molecular FormulaC18H16D14O2
  • Average mass292.516 Da
  • Monoisotopic mass292.312469 Da
  • ChemSpider ID29763774

  • 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

(9Z,12Z,15Z)-(2,2,3,3,4,4,5,5,6,6,7,7,8,8-2H14)-9,12,15-Octadecatrienoic acid [ACD/IUPAC Name]
(9Z,12Z,15Z)-(2,2,3,3,4,4,5,5,6,6,7,7,8,8-2H14)-9,12,15-Octadecatriensäure [German] [ACD/IUPAC Name]
1622944-40-4 [RN]
9,12,15-Octadecatrienoic-2,2,3,3,4,4,5,5,6,6,7,7,8,8-d14 acid, (9Z,12Z,15Z)- [ACD/Index Name]
Acide (9Z,12Z,15Z)-(2,2,3,3,4,4,5,5,6,6,7,7,8,8-2H14)-9,12,15-octadécatriénoïque [French] [ACD/IUPAC Name]
??-Linolenic Acid-d14
?-Linolenic Acid-d14
9Z,12Z,15Z-octadecatrienoic acid-d14
9Z,12Z,15Z-octadecatrienoic-2, 2?, 3, 3?, 4, 4?, 5, 5?, 6, 6?, 7, 7?, 8, 8?-d14 acid
9Z,12Z,15Z-octadecatrienoic-2, 2’, 3, 3’, 4, 4’, 5, 5’, 6, 6’, 7, 7’, 8, 8’-d14 acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 443.4±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 76.9±6.0 kJ/mol
Flash Point: 275.7±14.4 °C
Index of Refraction: 1.491
Molar Refractivity: 87.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 6.50
ACD/LogD (pH 5.5): 5.22
ACD/BCF (pH 5.5): 3513.97
ACD/KOC (pH 5.5): 7126.30
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 56.35
ACD/KOC (pH 7.4): 114.27
Polar Surface Area: 37 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 34.9±3.0 dyne/cm
Molar Volume: 301.1±3.0 cm3

Click to predict properties on the Chemicalize site


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