Chemical Properties of 1,4-Dinitrocyclooctatetraene (CAS 54755-18-9)

InChI

InChI=1S/C8H6N2O4/c11-9(12)7-3-1-2-4-8(6-5-7)10(13)14/h1-6H/b2-1-,3-1-,4-2-,6-5-,7-3+,7-5+,8-4+,8-6+

InChI Key

GRMYFWFBOIJSEI-REXIGCOJSA-N

Formula

C8H6N2O4

SMILES

O=[N+]([O-])C1=CC=C([N+](=O)[O-])C=CC=C1

Molecular Weight¹

194.14

CAS

54755-18-9

• 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_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	[329.40; 376.49]	J/mol×K	[725.48; 1013.06]
Cp,gas	329.40	J/mol×K	725.48	Joback Calculated Property
Cp,gas	340.17	J/mol×K	773.41	Joback Calculated Property
Cp,gas	349.71	J/mol×K	821.34	Joback Calculated Property
Cp,gas	358.07	J/mol×K	869.27	Joback Calculated Property
Cp,gas	365.29	J/mol×K	917.20	Joback Calculated Property
Cp,gas	371.42	J/mol×K	965.13	Joback Calculated Property
Cp,gas	376.49	J/mol×K	1013.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Dinitrocyclooctatetraene.

Sources

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

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