ChemSpider 2D Image | Diethyl {[(3,4-diisobutoxyphenyl)amino]methylene}malonate | C22H33NO6

Diethyl {[(3,4-diisobutoxyphenyl)amino]methylene}malonate

  • Molecular FormulaC22H33NO6
  • Average mass407.500 Da
  • Monoisotopic mass407.230774 Da
  • ChemSpider ID74001306

More details:

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

{[(3,4-Diisobutoxyphényl)amino]méthylène}malonate de diéthyle [French] [ACD/IUPAC Name]
Diethyl {[(3,4-diisobutoxyphenyl)amino]methylene}malonate [ACD/IUPAC Name]
Diethyl-{[(3,4-diisobutoxyphenyl)amino]methylen}malonat [German] [ACD/IUPAC Name]
Propanedioic acid, 2-[[[3,4-bis(2-methylpropoxy)phenyl]amino]methylene]-, diethyl ester [ACD/Index Name]
5542-72-3 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 465.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.7±3.0 kJ/mol
Flash Point: 235.3±28.7 °C
Index of Refraction: 1.517
Molar Refractivity: 112.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 4.37
ACD/BCF (pH 5.5): 1234.55
ACD/KOC (pH 5.5): 5681.98
ACD/LogD (pH 7.4): 4.37
ACD/BCF (pH 7.4): 1234.55
ACD/KOC (pH 7.4): 5681.99
Polar Surface Area: 83 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 372.6±3.0 cm3

Click to predict properties on the Chemicalize site


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