Chemical Properties of 1,3,5-TRINITROSO-1,3,5-TRIAZINE, HEXAHYDRO-

InChI

InChI=1S/C3H6N6O3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3H2

InChI Key

HFWOSHMLDRSIDN-UHFFFAOYSA-N

Formula

C3H6N6O3

SMILES

O=NN1CN(N=O)CN(N=O)C1

Molecular Weight¹

174.12

Other Names

• 1,3,5-Triazine, hexahydro-1,3,5-trinitroso-
• 1,3,5-Trinitrosohexahydro-s-triazine
• 1,3,5-trinitroso-1,3,5-triazacyclohexane
• Hexahydro-1,3,5-s-triazine
• Hexahydro-1,3,5-trinitroso-s-triazine
• N,N',N''-Trinitroso-1,3,5-hexahydrotriazine
• TNOHX
• TTT
• Trinitrosotrimethylenetriamine
• Trinitrosotrimethylentriamin
• s-triazine, hexahydro-1,3,5-trinitroso-

• Δ_cH°_solid : Standard solid enthalpy of combustion (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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• 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	[-2323.90; -2313.30]	kJ/mol
ΔcH°solid	-2316.00	kJ/mol	NIST
ΔcH°solid	-2313.30 ± 2.10	kJ/mol	NIST
ΔcH°solid	-2323.90	kJ/mol	NIST
ΔcH°solid	-2323.90 ± 2.30	kJ/mol	NIST
ΔfH°gas	395.00	kJ/mol	NIST
ΔfH°solid	[285.90; 286.00]	kJ/mol
ΔfH°solid	286.00	kJ/mol	NIST
ΔfH°solid	285.90 ± 2.30	kJ/mol	NIST
ΔsubH°	[113.00; 134.30]	kJ/mol
ΔsubH°	134.30 ± 0.70	kJ/mol	NIST
ΔsubH°	113.00	kJ/mol	NIST
log10WS	-1.42		Relay (1.0) Calculated Property
logPoct/wat	-0.177		Crippen Calculated Property
McVol	106.860	ml/mol	McGowan Calculated Property
Tboil	561.48	K	Relay (1.0) Calculated Property
Tfus	376.00 ± 1.00	K	NIST
Ttriple	369.25	K	Thermal behavior of 1,3,5-trinitroso-1,3,5-triazinane and its melt-castable mixtures with cyclic nitramines

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[3.77; 17.78]	kJ/mol	[367.00; 376.00]
ΔfusH	17.78	kJ/mol	367.00	NIST
ΔfusH	3.77	kJ/mol	376.00	NIST
ΔfusH	3.77	kJ/mol	376.00	NIST
ΔsubH	112.10	kJ/mol	397.00	NIST
ΔfusS	[10.02; 48.45]	J/mol×K	[367.00; 376.00]
ΔfusS	48.45	J/mol×K	367.00	NIST
ΔfusS	10.02	J/mol×K	376.00	NIST

Similar Compounds

Find more compounds similar to 1,3,5-TRINITROSO-1,3,5-TRIAZINE, HEXAHYDRO-.

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
• Thermal behavior of 1,3,5-trinitroso-1,3,5-triazinane and its melt-castable mixtures with cyclic nitramines
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.