ChemSpider 2D Image | Ethyl 5-methyl-2,4-dinitro-5-hexenoate | C9H14N2O6

Ethyl 5-methyl-2,4-dinitro-5-hexenoate

  • Molecular FormulaC9H14N2O6
  • Average mass246.217 Da
  • Monoisotopic mass246.085190 Da
  • ChemSpider ID57516972

More details:

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

5-Hexenoic acid, 5-methyl-2,4-dinitro-, ethyl ester [ACD/Index Name]
5-Méthyl-2,4-dinitro-5-hexénoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-methyl-2,4-dinitro-5-hexenoate [ACD/IUPAC Name]
Ethyl-5-methyl-2,4-dinitro-5-hexenoat [German] [ACD/IUPAC Name]
62438-46-4 [RN]
ETHYL 5-METHYL-2,4-DINITROHEX-5-ENOATE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 374.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.1±3.0 kJ/mol
Flash Point: 164.7±29.9 °C
Index of Refraction: 1.477
Molar Refractivity: 57.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 5.21
ACD/KOC (pH 5.5): 76.80
ACD/LogD (pH 7.4): -0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 118 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 201.8±3.0 cm3

Click to predict properties on the Chemicalize site


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