ChemSpider 2D Image | 3-{[2-(4-Nitrophenoxy)ethoxy]carbonyl}-4-{[4-(octyloxy)benzoyl]oxy}benzoic acid | C31H33NO10

3-{[2-(4-Nitrophenoxy)ethoxy]carbonyl}-4-{[4-(octyloxy)benzoyl]oxy}benzoic acid

  • Molecular FormulaC31H33NO10
  • Average mass579.594 Da
  • Monoisotopic mass579.210449 Da
  • ChemSpider ID35251940

More details:

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

1,3-Benzenedicarboxylic acid, 4-[[4-(octyloxy)benzoyl]oxy]-, 3-[2-(4-nitrophenoxy)ethyl] ester [ACD/Index Name]
3-{[2-(4-Nitrophenoxy)ethoxy]carbonyl}-4-{[4-(octyloxy)benzoyl]oxy}benzoesäure [German] [ACD/IUPAC Name]
3-{[2-(4-Nitrophenoxy)ethoxy]carbonyl}-4-{[4-(octyloxy)benzoyl]oxy}benzoic acid [ACD/IUPAC Name]
Acide 3-{[2-(4-nitrophénoxy)éthoxy]carbonyl}-4-{[4-(octyloxy)benzoyl]oxy}benzoïque [French] [ACD/IUPAC 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: 751.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.9±3.0 kJ/mol
Flash Point: 408.2±32.9 °C
Index of Refraction: 1.581
Molar Refractivity: 153.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 8.40
ACD/LogD (pH 5.5): 6.36
ACD/BCF (pH 5.5): 14386.26
ACD/KOC (pH 5.5): 9684.81
ACD/LogD (pH 7.4): 5.18
ACD/BCF (pH 7.4): 930.51
ACD/KOC (pH 7.4): 626.41
Polar Surface Area: 154 Å2
Polarizability: 60.7±0.5 10-24cm3
Surface Tension: 52.0±3.0 dyne/cm
Molar Volume: 459.6±3.0 cm3

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