ChemSpider 2D Image | Diethyl 2,4,6-trihydroxy-5-nitroisophthalate | C12H13NO9

Diethyl 2,4,6-trihydroxy-5-nitroisophthalate

  • Molecular FormulaC12H13NO9
  • Average mass315.233 Da
  • Monoisotopic mass315.059021 Da
  • ChemSpider ID35763891

More details:

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

1,3-Benzenedicarboxylic acid, 2,4,6-trihydroxy-5-nitro-, diethyl ester [ACD/Index Name]
2,4,6-Trihydroxy-5-nitroisophtalate de diéthyle [French] [ACD/IUPAC Name]
Diethyl 2,4,6-trihydroxy-5-nitroisophthalate [ACD/IUPAC Name]
Diethyl-2,4,6-trihydroxy-5-nitroisophthalat [German] [ACD/IUPAC Name]
63458-87-7 [RN]
Diethyl 2,4,6-trihydroxy-5-nitrobenzene-1,3-dicarboxylate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 387.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.1±3.0 kJ/mol
Flash Point: 188.1±27.9 °C
Index of Refraction: 1.611
Molar Refractivity: 71.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.13
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 14.95
ACD/KOC (pH 5.5): 42.96
ACD/LogD (pH 7.4): 1.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.42
Polar Surface Area: 159 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 71.4±3.0 dyne/cm
Molar Volume: 205.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement