ChemSpider 2D Image | Ethyl 4-(hexadecyl{[(4-nitrobenzyl)oxy]carbonyl}amino)butanoate | C30H50N2O6

Ethyl 4-(hexadecyl{[(4-nitrobenzyl)oxy]carbonyl}amino)butanoate

  • Molecular FormulaC30H50N2O6
  • Average mass534.728 Da
  • Monoisotopic mass534.366882 Da
  • ChemSpider ID102727881

More details:

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

4-(Hexadécyl{[(4-nitrobenzyl)oxy]carbonyl}amino)butanoate d'éthyle [French] [ACD/IUPAC Name]
Butanoic acid, 4-[hexadecyl[[(4-nitrophenyl)methoxy]carbonyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-(hexadecyl{[(4-nitrobenzyl)oxy]carbonyl}amino)butanoate [ACD/IUPAC Name]
Ethyl-4-(hexadecyl{[(4-nitrobenzyl)oxy]carbonyl}amino)butanoat [German] [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: 620.9±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 329.3±29.6 °C
Index of Refraction: 1.504
Molar Refractivity: 151.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 2
ACD/LogP: 10.94
ACD/LogD (pH 5.5): 10.41
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.41
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 102 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 511.5±3.0 cm3

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