ChemSpider 2D Image | 1-{[(2Z)-4-(Hexadecyloxy)-2-buten-1-yl]oxy}hexadecane | C36H72O2

1-{[(2Z)-4-(Hexadecyloxy)-2-buten-1-yl]oxy}hexadecane

  • Molecular FormulaC36H72O2
  • Average mass536.956 Da
  • Monoisotopic mass536.553223 Da
  • ChemSpider ID9289355
  • Double-bond stereo - Double-bond stereo


More details:






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

1-{[(2Z)-4-(Hexadecyloxy)-2-buten-1-yl]oxy}hexadecan [German] [ACD/IUPAC Name]
1-{[(2Z)-4-(Hexadecyloxy)-2-buten-1-yl]oxy}hexadecane [ACD/IUPAC Name]
1-{[(2Z)-4-(Hexadécyloxy)-2-butén-1-yl]oxy}hexadécane [French] [ACD/IUPAC Name]
Hexadecane, 1,1'-[(2Z)-2-butene-1,4-diylbis(oxy)]bis- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 592.2±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 63.2±22.5 °C
Index of Refraction: 1.460
Molar Refractivity: 172.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 2
ACD/LogP: 16.42
ACD/LogD (pH 5.5): 15.62
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.62
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 18 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 31.5±3.0 dyne/cm
Molar Volume: 629.1±3.0 cm3

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