ChemSpider 2D Image | 4-{2-[2-(3,5-Dimethylbenzoyl)-1-(4-ethylbenzoyl)-2-(2-methyl-2-propanyl)hydrazino](oxo)acetoxy}benzoic acid | C31H32N2O7

4-{2-[2-(3,5-Dimethylbenzoyl)-1-(4-ethylbenzoyl)-2-(2-methyl-2-propanyl)hydrazino](oxo)acetoxy}benzoic acid

  • Molecular FormulaC31H32N2O7
  • Average mass544.595 Da
  • Monoisotopic mass544.220947 Da
  • ChemSpider ID9516715

More details:

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

4-{2-[2-(3,5-Dimethylbenzoyl)-1-(4-ethylbenzoyl)-2-(2-methyl-2-propanyl)hydrazino](oxo)acetoxy}benzoesäure [German] [ACD/IUPAC Name]
4-{2-[2-(3,5-Dimethylbenzoyl)-1-(4-ethylbenzoyl)-2-(2-methyl-2-propanyl)hydrazino](oxo)acetoxy}benzoic acid [ACD/IUPAC Name]
Acide 4-{2-[2-(3,5-diméthylbenzoyl)-1-(4-éthylbenzoyl)-2-(2-méthyl-2-propanyl)hydrazino]-2-oxoacétoxy}benzoïque [French] [ACD/IUPAC Name]
Ethanedioic acid, mono(4-carboxyphenyl) ester, 2-(3,5-dimethylbenzoyl)-2-(1,1-dimethylethyl)-1-(4-ethylbenzoyl)hydrazide [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 695.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 374.1±34.3 °C
Index of Refraction: 1.601
Molar Refractivity: 148.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.64
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 382.09
ACD/KOC (pH 5.5): 834.32
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 16.81
ACD/KOC (pH 7.4): 36.70
Polar Surface Area: 121 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 434.5±3.0 cm3

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