ChemSpider 2D Image | 4-[(E)-(4-Pentanoylphenyl)diazenyl]phenyl stearate | C35H52N2O3

4-[(E)-(4-Pentanoylphenyl)diazenyl]phenyl stearate

  • Molecular FormulaC35H52N2O3
  • Average mass548.799 Da
  • Monoisotopic mass548.397766 Da
  • ChemSpider ID128396

  • Double-bond stereo - Double-bond stereo

More details:

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

4-[(E)-(4-Pentanoylphenyl)diazenyl]phenyl stearate [ACD/IUPAC Name]
4-[(E)-(4-Pentanoylphenyl)diazenyl]phenylstearat [German] [ACD/IUPAC Name]
Octadecanoic acid, 4-[(E)-2-[4-(1-oxopentyl)phenyl]diazenyl]phenyl ester [ACD/Index Name]
Stéarate de 4-[(E)-(4-pentanoylphényl)diazényl]phényle [French] [ACD/IUPAC Name]
120103-11-9 [RN]
4-[2-(4-PENTANOYLPHENYL)DIAZEN-1-YL]PHENYL OCTADECANOATE
4-n-Pentanoyl-4-n'-octadecanoyloxyazobenzene

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

Density: 1.0±0.1 g/cm3
Boiling Point: 654.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 165.3±21.8 °C
Index of Refraction: 1.525
Molar Refractivity: 167.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 2
ACD/LogP: 12.97
ACD/LogD (pH 5.5): 12.00
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.00
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 68 Å2
Polarizability: 66.4±0.5 10-24cm3
Surface Tension: 37.3±7.0 dyne/cm
Molar Volume: 546.9±7.0 cm3

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