ChemSpider 2D Image | 4-{[(3,4,5-Triethoxybenzoyl)amino]methyl}phenyl 4-butylcyclohexanecarboxylate | C31H43NO6

4-{[(3,4,5-Triethoxybenzoyl)amino]methyl}phenyl 4-butylcyclohexanecarboxylate

  • Molecular FormulaC31H43NO6
  • Average mass525.676 Da
  • Monoisotopic mass525.309021 Da
  • ChemSpider ID66922909

More details:

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

4-{[(3,4,5-Triethoxybenzoyl)amino]methyl}phenyl 4-butylcyclohexanecarboxylate [ACD/IUPAC Name]
4-{[(3,4,5-Triethoxybenzoyl)amino]methyl}phenyl-4-butylcyclohexancarboxylat [German] [ACD/IUPAC Name]
4-Butylcyclohexanecarboxylate de 4-{[(3,4,5-triéthoxybenzoyl)amino]méthyl}phényle [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-butyl-, 4-[[(3,4,5-triethoxybenzoyl)amino]methyl]phenyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 620.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.9±3.0 kJ/mol
Flash Point: 328.8±31.5 °C
Index of Refraction: 1.530
Molar Refractivity: 149.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 7.15
ACD/LogD (pH 5.5): 6.23
ACD/BCF (pH 5.5): 31763.53
ACD/KOC (pH 5.5): 58085.11
ACD/LogD (pH 7.4): 6.23
ACD/BCF (pH 7.4): 31763.50
ACD/KOC (pH 7.4): 58085.04
Polar Surface Area: 83 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 482.8±3.0 cm3

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