Chemical Properties of Phenol, 2-methyl-3,5-dinitro- (CAS 497-56-3)

InChI

InChI=1S/C7H6N2O5/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10/h2-3,10H,1H3

InChI Key

KSHJAFFDLKPUMT-UHFFFAOYSA-N

Formula

C7H6N2O5

SMILES

Cc1c(O)cc([N+](=O)[O-])cc1[N+](=O)[O-]

Molecular Weight¹

198.13

CAS

497-56-3

Other Names

• o-Cresol, 3,5-dinitro-
• 3,5-Dinitro-o-cresol
• 4,6-Dinitro-2-hydroxytoluene
• 3,5-Dinitro-ortho-cresol

• 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_subH : Enthalpy of sublimation 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	[334.95; 379.80]	J/mol×K	[780.50; 1059.76]
Cp,gas	334.95	J/mol×K	780.50	Joback Calculated Property
Cp,gas	343.28	J/mol×K	827.04	Joback Calculated Property
Cp,gas	351.09	J/mol×K	873.59	Joback Calculated Property
Cp,gas	358.52	J/mol×K	920.13	Joback Calculated Property
Cp,gas	365.69	J/mol×K	966.67	Joback Calculated Property
Cp,gas	372.74	J/mol×K	1013.21	Joback Calculated Property
Cp,gas	379.80	J/mol×K	1059.76	Joback Calculated Property
ΔsubH	103.30	kJ/mol	307.00	NIST

Similar Compounds

Find more compounds similar to Phenol, 2-methyl-3,5-dinitro-.

Sources

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

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