Chemical Properties of 1,3,5,7-Tetrazocine, octahydro-1,3,5,7-tetranitro-

InChI

InChI=1S/C4H8N8O8/c13-9(14)5-1-6(10(15)16)3-8(12(19)20)4-7(2-5)11(17)18/h1-4H2

InChI Key

UZGLIIJVICEWHF-UHFFFAOYSA-N

Formula

C4H8N8O8

SMILES

O=[N+]([O-])N1CN([N+](=O)[O-])CN([N+](=O)[O-])CN([N+](=O)[O-])C1

Molecular Weight¹

296.16

Other Names

• 1,3,5,7-Tetranitro-1,3,5,7-tetraazacyclooctane
• 1,3,5,7-Tetraza-1,3,5,7-tetranitrocyclooctane
• HMX
• HMX (cyclotetramethylene tetranitramine)
• HW 4
• LX 14-0
• Octagen
• Octahydro-1,3,5,7-Tetranitro-s-tetrazocine
• Oktogen
• Tetramethylenetetranitramine
• cyclotetramethylene tetranitramine
• octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine
• octogen
• «beta» Hmy

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	[-2820.00; -2748.00]	kJ/mol
ΔcH°solid	-2820.00 ± 2.80	kJ/mol	NIST
ΔcH°solid	-2792.00	kJ/mol	NIST
ΔcH°solid	-2774.00	kJ/mol	NIST
ΔcH°solid	-2748.00	kJ/mol	NIST
ΔfH°gas	258.86	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	[74.90; 103.00]	kJ/mol
ΔfH°solid	75.00	kJ/mol	NIST
ΔfH°solid	103.00 ± 2.80	kJ/mol	NIST
ΔfH°solid	74.90	kJ/mol	NIST
logPoct/wat	-2.195		Crippen Calculated Property
McVol	165.960	ml/mol	McGowan Calculated Property
Tfus	553.90	K	Melting Behavior and Heat of Fusion of Compounds that Undergo Simultaneous Melting and Decomposition: An investigation with HMX
Ttriple	465.25	K	Thermo-analytical study of a melt cast composition based on cis -1,3,4,6-tetranitrooctahydroimidazo-[4,5 d]imidazole (BCHMX)/trinitrotoluene (TNT) compared with traditional compositions

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

Similar Compounds

Find more compounds similar to 1,3,5,7-Tetrazocine, octahydro-1,3,5,7-tetranitro-.

Mixtures

• 2-Pyrrolidinone, 1-methyl- + 1,3,5,7-Tetrazocine, octahydro-1,3,5,7-tetranitro-
• Acetone + Water + 1,3,5,7-Tetrazocine, octahydro-1,3,5,7-tetranitro-
• Acetone + 1,3,5,7-Tetrazocine, octahydro-1,3,5,7-tetranitro-
• Dimethyl Sulfoxide + Water + 1,3,5,7-Tetrazocine, octahydro-1,3,5,7-tetranitro-
• 2-Pyrrolidinone, 1-methyl- + Water + 1,3,5,7-Tetrazocine, octahydro-1,3,5,7-tetranitro-
• 1,3,5-Triazine, hexahydro-1,3,5-trinitro- + 1,3,5,7-Tetrazocine, octahydro-1,3,5,7-tetranitro-

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
• Thermo-analytical study of a melt cast composition based on cis -1,3,4,6-tetranitrooctahydroimidazo-[4,5 d]imidazole (BCHMX)/trinitrotoluene (TNT) compared with traditional compositions
• Solubility Measurement and Correlation for e-2,4,6,8,10,12-Hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane in Five Organic Solvents at Temperatures between 283.15 and 333.15 K and Different Chloralkane + Ethyl Acetate Binary Solvents at Temperatures between 283.15 and 323.15 K
• Melting Behavior and Heat of Fusion of Compounds that Undergo Simultaneous Melting and Decomposition: An investigation with HMX
• Standard Enthalpy of Formation, Thermal Behavior, and Specific Heat Capacity of 2HNIW*HMX Co-crystals
• Solubilities of Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine in ?-Butyrolactone + Water, Dimethylsulfoxide + Water, and N-Methyl pyrrolidone + Water
• McGowan Method
• NIST Webbook

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