ChemSpider 2D Image | 1,4-Dioxan-2-ylmethyl 3,5-dinitrobenzoate | C12H12N2O8

1,4-Dioxan-2-ylmethyl 3,5-dinitrobenzoate

  • Molecular FormulaC12H12N2O8
  • Average mass312.232 Da
  • Monoisotopic mass312.059357 Da
  • ChemSpider ID62849437

More details:

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

1,4-Dioxan-2-ylmethyl 3,5-dinitrobenzoate [ACD/IUPAC Name]
1,4-Dioxan-2-ylmethyl-3,5-dinitrobenzoat [German] [ACD/IUPAC Name]
1,4-Dioxane-2-methanol, 3,5-dinitrobenzoate [ACD/Index Name]
3,5-Dinitrobenzoate de 1,4-dioxan-2-ylméthyle [French] [ACD/IUPAC Name]
100143-83-7 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 476.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.0±3.0 kJ/mol
Flash Point: 215.2±27.9 °C
Index of Refraction: 1.571
Molar Refractivity: 70.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.09
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 10.73
ACD/KOC (pH 5.5): 190.25
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 10.73
ACD/KOC (pH 7.4): 190.25
Polar Surface Area: 136 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 62.0±3.0 dyne/cm
Molar Volume: 215.6±3.0 cm3

Click to predict properties on the Chemicalize site


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