Chemical Properties of 1,1,4,4-Tetranitrocyclohexane (CAS 146028-82-2)

InChI

InChI=1S/C6H8N4O8/c11-7(12)5(8(13)14)1-2-6(4-3-5,9(15)16)10(17)18/h1-4H2

InChI Key

ZOLAMORIQWZYQZ-UHFFFAOYSA-N

Formula

C6H8N4O8

SMILES

O=[N+]([O-])C1([N+](=O)[O-])CCC([N+](=O)[O-])([N+](=O)[O-])CC1

Molecular Weight¹

264.15

CAS

146028-82-2

• C_p,gas : Ideal gas 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[505.16; 679.01]	J/mol×K	[959.40; 1279.93]
Cp,gas	505.16	J/mol×K	959.40	Joback Calculated Property
Cp,gas	525.23	J/mol×K	1012.82	Joback Calculated Property
Cp,gas	547.98	J/mol×K	1066.24	Joback Calculated Property
Cp,gas	574.08	J/mol×K	1119.67	Joback Calculated Property
Cp,gas	604.18	J/mol×K	1173.09	Joback Calculated Property
Cp,gas	638.94	J/mol×K	1226.51	Joback Calculated Property
Cp,gas	679.01	J/mol×K	1279.93	Joback Calculated Property
ΔfusH	108.80	kJ/mol	489.20	NIST

Similar Compounds

Find more compounds similar to 1,1,4,4-Tetranitrocyclohexane.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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