Chemical Properties of Phenol, 2-methyl-3,5-dinitro-

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

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_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).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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
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

• 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
• Joback Method
• 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.
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