ChemSpider 2D Image | 3-Hydroxy-1,2-propanediyl bis(4-{4-[(E)-(4-butylphenyl)diazenyl]phenyl}butanoate) | C43H52N4O5

3-Hydroxy-1,2-propanediyl bis(4-{4-[(E)-(4-butylphenyl)diazenyl]phenyl}butanoate)

  • Molecular FormulaC43H52N4O5
  • Average mass704.897 Da
  • Monoisotopic mass704.393799 Da
  • ChemSpider ID65324383
  • Double-bond stereo - Double-bond stereo


More details:






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

3-Hydroxy-1,2-propandiyl-bis(4-{4-[(E)-(4-butylphenyl)diazenyl]phenyl}butanoat) [German] [ACD/IUPAC Name]
3-Hydroxy-1,2-propanediyl bis(4-{4-[(E)-(4-butylphenyl)diazenyl]phenyl}butanoate) [ACD/IUPAC Name]
Benzenebutanoic acid, 4-[(E)-2-(4-butylphenyl)diazenyl]-, 1-(hydroxymethyl)-1,2-ethanediyl ester [ACD/Index Name]
Bis(4-{4-[(E)-(4-butylphényl)diazényl]phényl}butanoate) de 3-hydroxy-1,2-propanediyle [French] [ACD/IUPAC Name]
2230617-93-1 [RN]
OptoDArG

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 805.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.7±3.0 kJ/mol
Flash Point: 440.7±34.3 °C
Index of Refraction: 1.572
Molar Refractivity: 207.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 2
ACD/LogP: 11.96
ACD/LogD (pH 5.5): 10.64
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.64
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 122 Å2
Polarizability: 82.3±0.5 10-24cm3
Surface Tension: 42.9±7.0 dyne/cm
Molar Volume: 630.9±7.0 cm3

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