Chemical Properties of Benzenemethanol, 2,4,6-trinitro- (CAS 24577-68-2)

InChI

InChI=1S/C7H5N3O7/c11-3-5-6(9(14)15)1-4(8(12)13)2-7(5)10(16)17/h1-2,11H,3H2

InChI Key

IFNVWRBEJGYFNL-UHFFFAOYSA-N

Formula

C7H5N3O7

SMILES

O=[N+]([O-])c1cc([N+](=O)[O-])c(CO)c([N+](=O)[O-])c1

Molecular Weight¹

243.13

CAS

24577-68-2

Other Names

• 2,4,6-Trinitrobenzyl alcohol

• ω : Acentric Factor.
• 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).
• 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).
• 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	[403.86; 427.41]	J/mol×K	[948.88; 1212.39]
Cp,gas	403.86	J/mol×K	948.88	Joback Calculated Property
Cp,gas	409.35	J/mol×K	992.80	Joback Calculated Property
Cp,gas	414.15	J/mol×K	1036.72	Joback Calculated Property
Cp,gas	418.31	J/mol×K	1080.63	Joback Calculated Property
Cp,gas	421.87	J/mol×K	1124.55	Joback Calculated Property
Cp,gas	424.89	J/mol×K	1168.47	Joback Calculated Property
Cp,gas	427.41	J/mol×K	1212.39	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzenemethanol, 2,4,6-trinitro-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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