ChemSpider 2D Image | Octyl 4-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoate | C29H28N2O7

Octyl 4-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoate

  • Molecular FormulaC29H28N2O7
  • Average mass516.542 Da
  • Monoisotopic mass516.189636 Da
  • ChemSpider ID2350317

More details:

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

4-[5-(4-Nitrophénoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoate d'octyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[1,3-dihydro-5-(4-nitrophenoxy)-1,3-dioxo-2H-isoindol-2-yl]-, octyl ester [ACD/Index Name]
Octyl 4-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoate [ACD/IUPAC Name]
Octyl-4-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoat [German] [ACD/IUPAC Name]
4-[5-(4-Nitro-phenoxy)-1,3-dioxo-1,3-dihydro-isoindol-2-yl]-benzoic acid octyl ester
octyl 4-[5-(4-nitrophenoxy)-1,3-dioxobenzo[c]azolin-2-yl]benzoate

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

A0374/0017173 [DBID]
BAS 00203066 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 672.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.8±3.0 kJ/mol
Flash Point: 360.6±34.3 °C
Index of Refraction: 1.608
Molar Refractivity: 139.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.81
ACD/LogD (pH 5.5): 7.21
ACD/BCF (pH 5.5): 178219.06
ACD/KOC (pH 5.5): 199622.52
ACD/LogD (pH 7.4): 7.21
ACD/BCF (pH 7.4): 178219.06
ACD/KOC (pH 7.4): 199622.52
Polar Surface Area: 119 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 402.6±3.0 cm3

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