Chemical Properties of Imidazoline, 1,3-dinitro- (CAS 5754-91-6)

Imidazoline, 1,3-dinitro-

InChI
InChI=1S/C3H6N4O4/c8-6(9)4-1-2-5(3-4)7(10)11/h1-3H2
InChI Key
MGUHTGHCUOCIGG-UHFFFAOYSA-N
Formula
C3H6N4O4
SMILES
O=[N+]([O-])N1CCN([N+](=O)[O-])C1
Molecular Weight1
162.10
CAS
5754-91-6
Other Names
  • Imidazolidine, 1,3-dinitro-
  • 1,3-Dinitro-2-methylimidazoline
  • 1,3-Dinitroimidazolidine
  • 1,3-Dinitro-tetrahydroimidazole
  • 1,3-Dinitro-1,3-diazacyclopentane
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Physical Properties

Property Value Unit Source
ΔfH°gas 119.58 kJ/mol Relay (1.0) Calculated Property
logPoct/wat -1.055 Crippen Calculated Property
McVol 97.070 ml/mol McGowan Calculated Property
Tfus 403.00 ± 1.00 K NIST

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔfusH [25.08; 25.10] kJ/mol [403.00; 410.00] Show Hide
ΔfusH 25.10 kJ/mol 403.00 NIST
ΔfusH 25.08 kJ/mol 410.00 NIST

Similar Compounds

1,3,6-TRIAZACYCLOHEPTANE 1,3,6-TRINITRO-. 1,3-Dinitro-1,3-diazacyclohexane. 1,3-DIAZACYCLOPENTAN-2-ONE 1,3-DINITRO-. 1,3-Dinitro-1,3-diazacycloheptane. 1,7-Difluoro-1,1,3,5,7,7-hexanitro-3,5-diazaheptane. 1,1,3,5-Tetranitrohexahydropyrimidine. 1,4-Dinitro-1,4-diazacyclohexane. 4,5,6,7-Tetrahydropyrazolo[1,5-d][1,2,4]-triazin-4-one, 5-propyl-2,6-dimethyl. 4,5,6,7-Tetrahydropyrazolo[1,5-d][1,2,4]-triazin-4-one, 5-butyl-2,6-dimethyl. 4,5,6,7-Tetrahydropyrazolo[1,5-d][1,2,4]-triazin-4-one, 5-ethyl-2,6-dimethyl. 4,5,6,7-Tetrahydropyrazolo[1,5-d][1,2,4]-triazin-4-one, 2,6-dimethyl. 4,5,6,7-Tetrahydropyrazolo[1,5-d][1,2,4]-triazin-4-one, 2,5,6-trimethyl. Consabatine. 1,8-Difluoro-1,1,3,6,8,8-hexanitro-3,6-diazaoctane. Clopenthixol M (desalkyl-dihydro-), monoacetylated.

Find more compounds similar to Imidazoline, 1,3-dinitro-.

Sources

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