Chemical Properties of Ethene-1,1-diamine, 2,2-dinitro-

InChI

InChI=1S/C2H4N4O4/c3-1(4)2(5(7)8)6(9)10/h3-4H2

InChI Key

FUHQFAMVYDIUKL-UHFFFAOYSA-N

Formula

C2H4N4O4

SMILES

NC(N)=C([N+](=O)[O-])[N+](=O)[O-]

Molecular Weight¹

148.08

Other Names

• 1,1-Ethenediamine, 2,2-dinitro-
• 1,1-diamino-2,2-dinitroethene
• 1,1-diamino-2,2-dinitroethylene
• DADNE
• DADNE (1,1-diamino-2,2-dinitroethene)
• FOX-7
• FOX-7 (1,1-diamino-2,2-dinitroethene)

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_triple : Triple Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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
Cp,solid	[169.55; 201.68]	J/mol×K	[283.00; 353.00]
Cp,solid	169.55	J/mol×K	283.00	Studies on Thermodynamic Properties of FOX-7 and Its Five Closed-Loop Derivatives
Cp,solid	174.14	J/mol×K	293.00	Studies on Thermodynamic Properties of FOX-7 and Its Five Closed-Loop Derivatives
Cp,solid	176.51	J/mol×K	298.00	Studies on Thermodynamic Properties of FOX-7 and Its Five Closed-Loop Derivatives
Cp,solid	178.73	J/mol×K	303.00	Studies on Thermodynamic Properties of FOX-7 and Its Five Closed-Loop Derivatives
Cp,solid	183.32	J/mol×K	313.00	Studies on Thermodynamic Properties of FOX-7 and Its Five Closed-Loop Derivatives
Cp,solid	187.91	J/mol×K	323.00	Studies on Thermodynamic Properties of FOX-7 and Its Five Closed-Loop Derivatives
Cp,solid	192.50	J/mol×K	333.00	Studies on Thermodynamic Properties of FOX-7 and Its Five Closed-Loop Derivatives
Cp,solid	197.09	J/mol×K	343.00	Studies on Thermodynamic Properties of FOX-7 and Its Five Closed-Loop Derivatives
Cp,solid	201.68	J/mol×K	353.00	Studies on Thermodynamic Properties of FOX-7 and Its Five Closed-Loop Derivatives

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[129.30; 255.79]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.14700e+01
Coefficient B			5.36120e-01
Coefficient C			-4.17000e-04
Coefficient D			1.25200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	129.30	J/mol×K	273.00	Calculated Property
Cp,gas	154.49	J/mol×K	353.78	Calculated Property
Cp,gas	175.97	J/mol×K	434.56	Calculated Property
Cp,gas	194.14	J/mol×K	515.33	Calculated Property
Cp,gas	209.40	J/mol×K	596.11	Calculated Property
Cp,gas	222.13	J/mol×K	676.89	Calculated Property
Cp,gas	232.74	J/mol×K	757.67	Calculated Property
Cp,gas	241.63	J/mol×K	838.44	Calculated Property
Cp,gas	249.18	J/mol×K	919.22	Calculated Property
Cp,gas	255.79	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Ethene-1,1-diamine, 2,2-dinitro-.

Mixtures

• Dimethyl Sulfoxide + Ethene-1,1-diamine, 2,2-dinitro-
• 2-Pyrrolidinone, 1-methyl- + Ethene-1,1-diamine, 2,2-dinitro-
• Formamide, N,N-dimethyl- + Ethene-1,1-diamine, 2,2-dinitro-
• Formamide, N,N-diethyl- + Ethene-1,1-diamine, 2,2-dinitro-
• Cyclohexanone + Ethene-1,1-diamine, 2,2-dinitro-
• Ethyl Acetate + Ethene-1,1-diamine, 2,2-dinitro-
• 1,4-Dioxane + Ethene-1,1-diamine, 2,2-dinitro-
• Water + Ethene-1,1-diamine, 2,2-dinitro-
• Dimethyl Sulfoxide + Water + Ethene-1,1-diamine, 2,2-dinitro-
• Formamide, N,N-dimethyl- + Water + Ethene-1,1-diamine, 2,2-dinitro-
• Butyrolactone + Ethene-1,1-diamine, 2,2-dinitro-

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Solubility of 1,1-diamino-2,2-dinitroethylene in different pure solvents and binary mixtures (dimethyl sulfoxide p water) and (N,N-dimethylformamide p water) at different temperatures
• Thermochemical properties of 1,1-diamino-2,2-dinitroethylene (FOX-7) in dimethyl sulfoxide (DMSO)
• Studies on Thermodynamic Properties of FOX-7 and Its Five Closed-Loop Derivatives
• Comment on Studies on Thermodynamic Properties of FOX-7 and Its Five Closed-Loop Derivatives
• Solubility of 1,1-Diamino-2,2-dinitroethylene in N,N-Dimethylformamide, Dimethyl Sulfoxide, and N-Methyl-2-pyrrolidone
• Joback Method
• McGowan Method
• NIST Webbook

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