Chemical Properties of 1,3-Dinitro-1,3-diazacycloheptane (CAS 5754-90-5)

1,3-Dinitro-1,3-diazacycloheptane

InChI
InChI=1S/C5H10N4O4/c10-8(11)6-3-1-2-4-7(5-6)9(12)13/h1-5H2
InChI Key
XFBIFYVTPFYRSQ-UHFFFAOYSA-N
Formula
C5H10N4O4
SMILES
O=[N+]([O-])N1CCCCN([N+](=O)[O-])C1
Molecular Weight1
190.16
CAS
5754-90-5
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Physical Properties

Property Value Unit Source
ΔfH°gas 24.62 kJ/mol Relay (1.0) Calculated Property
logPoct/wat -0.275 Crippen Calculated Property
McVol 125.250 ml/mol McGowan Calculated Property
Tfus [374.00; 376.00] K Show Hide
Tfus 374.00 ± 0.10 K NIST
Tfus 376.00 ± 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 2.80 kJ/mol 374.00 NIST

Similar Compounds

1,3-Dinitro-1,3-diazacyclohexane. 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-propyl-2,6-dimethyl. guanine. cannabinolic acid, methyl-boronate. 5-«beta»-Pregnan-3-«alpha»-ol, 20-«alpha»-GlcNAc MeTMS. 5-«alpha»-Pregnan-3-«beta»-ol, 20-«alpha»-GlcNAc, MeTMS. 5-«alpha»-Pregnan-3-«alpha»,20-«alpha»-diol-20-GlcNAc TMS, # 2. Pregnan-2,3,20-triol, GlcNAc, MeTMS. 5-«alpha»-Pregnan-3-«alpha»-ol, 20-«alpha»-GlcNAc, MeTMS. 5-«alpha»-Pregnan-3-«alpha»,20-«alpha»-diol-20-GlcNAc TMS, # 1. 5-«beta»-Pregnan-3-«alpha»,20-«alpha»-diol-20-GlcNAc TMS, # 2. 5-«beta»-Pregnan-3-«alpha»,20-«alpha»-diol-20-GlcNAc TMS, # 1. 4-Hydroxyoestrone (enol), TMS. Indomethacin, pentyl ester.

Find more compounds similar to 1,3-Dinitro-1,3-diazacycloheptane.

Sources

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