ChemSpider 2D Image | 3-Methyl-4-nitrophenyl 5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzoate | C18H18N2O9

3-Methyl-4-nitrophenyl 5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzoate

  • Molecular FormulaC18H18N2O9
  • Average mass406.344 Da
  • Monoisotopic mass406.101227 Da
  • ChemSpider ID33053528

More details:

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

3-Methyl-4-nitrophenyl 5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzoate [ACD/IUPAC Name]
3-Methyl-4-nitrophenyl-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzoat [German] [ACD/IUPAC Name]
5-Méthoxy-4-(2-méthoxyéthoxy)-2-nitrobenzoate de 3-méthyl-4-nitrophényle [French] [ACD/IUPAC Name]
Benzoic acid, 5-methoxy-4-(2-methoxyethoxy)-2-nitro-, 3-methyl-4-nitrophenyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 592.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.3±3.0 kJ/mol
Flash Point: 243.7±32.1 °C
Index of Refraction: 1.582
Molar Refractivity: 100.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.10
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 347.18
ACD/KOC (pH 5.5): 2291.58
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 347.18
ACD/KOC (pH 7.4): 2291.58
Polar Surface Area: 146 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 300.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement