Chemical Properties of Cyclonite (CAS 121-82-4)

InChI

InChI=1S/C3H6N6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H2

InChI Key

XTFIVUDBNACUBN-UHFFFAOYSA-N

Formula

C3H6N6O6

SMILES

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

Molecular Weight¹

222.12

CAS

121-82-4

Other Names

• 1,3,5-Triazacyclohexane 1,3,5-trinitro-
• 1,3,5-Triazine, hexahydro-1,3,5-trinitro-
• 1,3,5-triaza-1,3,5-trinitrocyclohexane
• 1,3,5-triazine, hexahydro-1,3,5-trinitro
• 1,3,5-trinitro-1,3,5-triazacyclohexane
• 1,3,5-trinitrohexahydro-1,3,5-triazine
• 1,3,5-trinitrohexahydro-s-triazine
• 1,3,5-trinitroperhydro-1,3,5-triazine
• CX 84A
• Cyclonit
• Cyklonit
• Esaidro-1,3,5-trinitro-1,3,5-triazina
• Geksogen
• Heksogen
• Hexahydro-1,3,5-trinitro-1,3,5-triazin
• Hexogeen
• Hexogen
• Hexogen (explosive)
• Hexogen 5W
• Hexolite
• NSC 312447
• PBX(AF) 108
• PBXW 108(E)
• PE 4
• RDX
• T4
• Trimethyleentrinitramine
• Trinitrocyclotrimethylene triamine
• UN 0072
• cyclotrimethylenenitramine
• cyclotrimethylenetrinitramine
• hexahydro-1,3,5-trinitro-1,3,5-triazine
• hexahydro-1,3,5-trinitro-s-triazine
• perhydro-1,3,5-trinitro-1,3,5-triazine
• s-triazine, hexahydro-1,3,5-trinitro-
• sym-Trimethylenetrinitramine
• trimethylenetrinitramine

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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 standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_sub : Sublimation pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6763		Relay (1.0) Calculated Property
ΔcH°solid	[-2120.00; -2092.00]	kJ/mol
ΔcH°solid	-2120.00 ± 5.00	kJ/mol	NIST
ΔcH°solid	-2100.00	kJ/mol	NIST
ΔcH°solid	-2092.00 ± 2.10	kJ/mol	NIST
ΔcH°solid	-2104.60 ± 2.10	kJ/mol	NIST
ΔfG°	394.80	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	192.00	kJ/mol	NIST
ΔfH°solid	[61.50; 79.10]	kJ/mol
ΔfH°solid	79.10 ± 5.00	kJ/mol	NIST
ΔfH°solid	61.50	kJ/mol	NIST
ΔfH°solid	66.50 ± 2.10	kJ/mol	NIST
ΔsubH°	[112.00; 134.30]	kJ/mol
ΔsubH°	134.30	kJ/mol	NIST
ΔsubH°	112.00 ± 2.00	kJ/mol	NIST
ΔvapH°	92.36	kJ/mol	Relay (1.0) Calculated Property
IE	10.18	eV	Relay (1.0) Calculated Property
log10WS	-3.08		Relay (1.0) Calculated Property
logPoct/wat	-1.646		Crippen Calculated Property
McVol	124.470	ml/mol	McGowan Calculated Property
Pc	3675.01	kPa	Relay (1.0-beta) Calculated Property
Inp	[1859.01; 1914.76]
Inp	1859.01		NIST
Inp	1891.47		NIST
Inp	1870.00		NIST
Inp	1914.09		NIST
Inp	1914.76		NIST
Inp	1870.00		NIST
Inp	1870.00		NIST
Inp	1870.00		NIST
Tboil	547.25	K	Relay (1.0) Calculated Property
Tc	842.04	K	Relay (1.0) Calculated Property
Tfus	[477.10; 478.50]	K
Tfus	477.35	K	HP-DSC study of energetic materials. Part I. Overview of pressure influence on thermal behavior
Tfus	477.10	K	Melting Behavior and Heat of Fusion of Compounds that Undergo Simultaneous Melting and Decomposition: An investigation with HMX
Tfus	478.50 ± 0.50	K	NIST
Ttriple	[477.95; 478.95]	K
Ttriple	478.95	K	Thermal behavior of 1,3,5-trinitroso-1,3,5-triazinane and its melt-castable mixtures with cyclic nitramines
Ttriple	477.95	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
Vc	0.454	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	248.90	J/mol×K	298.00	NIST
ΔfusH	[35.65; 37.66]	kJ/mol	[478.20; 478.50]
ΔfusH	37.66	kJ/mol	478.20	NIST
ΔfusH	37.66	kJ/mol	478.20	NIST
ΔfusH	35.65	kJ/mol	478.50	NIST
ΔsubH	[112.50; 130.10]	kJ/mol	[342.50; 350.00]
ΔsubH	112.50 ± 0.80	kJ/mol	342.50	NIST
ΔsubH	130.10	kJ/mol	350.00	NIST
ΔvapH	84.40	kJ/mol	513.00	NIST
Psub	[4.00e-06; 1.14e-04]	kPa	[348.15; 383.15]
Psub	4.00e-06	kPa	348.15	Triacetone triperoxide thermogravimetric study of vapor pressure and enthalpy of sublimation in 303 338 K temperature range
Psub	9.00e-06	kPa	353.15	Triacetone triperoxide thermogravimetric study of vapor pressure and enthalpy of sublimation in 303 338 K temperature range
Psub	1.90e-05	kPa	358.15	Triacetone triperoxide thermogravimetric study of vapor pressure and enthalpy of sublimation in 303 338 K temperature range
Psub	2.10e-05	kPa	363.15	Triacetone triperoxide thermogravimetric study of vapor pressure and enthalpy of sublimation in 303 338 K temperature range
Psub	3.30e-05	kPa	368.15	Triacetone triperoxide thermogravimetric study of vapor pressure and enthalpy of sublimation in 303 338 K temperature range
Psub	4.60e-05	kPa	373.15	Triacetone triperoxide thermogravimetric study of vapor pressure and enthalpy of sublimation in 303 338 K temperature range
Psub	7.30e-05	kPa	378.15	Triacetone triperoxide thermogravimetric study of vapor pressure and enthalpy of sublimation in 303 338 K temperature range
Psub	1.14e-04	kPa	383.15	Triacetone triperoxide thermogravimetric study of vapor pressure and enthalpy of sublimation in 303 338 K temperature range

Similar Compounds

Find more compounds similar to Cyclonite.

Mixtures

• Cyclonite + Cyclotetramethylenetetranitramine
• Cyclohexanone + Cyclonite + Water
• 2-Pyrrolidinone, 1-methyl- + Cyclonite + Water
• Acetone + Cyclonite + Water

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
• Triacetone triperoxide thermogravimetric study of vapor pressure and enthalpy of sublimation in 303 338 K temperature range
• Thermal behavior of 1,3,5-trinitroso-1,3,5-triazinane and its melt-castable mixtures with cyclic nitramines
• HP-DSC study of energetic materials. Part I. Overview of pressure influence on thermal behavior
• 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
• Melting Behavior and Heat of Fusion of Compounds that Undergo Simultaneous Melting and Decomposition: An investigation with HMX
• Solubility of Cyclotrimethylenetrinitramine (RDX) in Binary Solvent Mixtures
• McGowan Method
• NIST Webbook

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