ChemSpider 2D Image | (2Z)-(2,3,4,4,5,5,6,6,7-~2~H_9_)-2-Hexadecenoic acid | C16H21D9O2

(2Z)-(2,3,4,4,5,5,6,6,7-2H9)-2-Hexadecenoic acid

  • Molecular FormulaC16H21D9O2
  • Average mass263.464 Da
  • Monoisotopic mass263.281067 Da
  • ChemSpider ID67157976

  • 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

(2Z)-(2,3,4,4,5,5,6,6,7-2H9)-2-Hexadecenoic acid [ACD/IUPAC Name]
(2Z)-(2,3,4,4,5,5,6,6,7-2H9)-2-Hexadecensäure [German] [ACD/IUPAC Name]
2-Hexadecenoic-2,3,4,4,5,5,6,6,7-d9 acid, (2Z)- [ACD/Index Name]
Acide (2Z)-(2,3,4,4,5,5,6,6,7-2H9)-2-hexadécénoïque [French] [ACD/IUPAC Name]
d9-cis-hexadecenoic acid

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

Density: 0.9±0.1 g/cm3
Boiling Point: 373.7±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 68.2±6.0 kJ/mol
Flash Point: 273.4±10.2 °C
Index of Refraction: 1.466
Molar Refractivity: 77.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 7.18
ACD/LogD (pH 5.5): 5.57
ACD/BCF (pH 5.5): 5991.46
ACD/KOC (pH 5.5): 9503.33
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 94.20
ACD/KOC (pH 7.4): 149.41
Polar Surface Area: 37 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 33.9±3.0 dyne/cm
Molar Volume: 280.9±3.0 cm3

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