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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[173.05; 370.74]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-6.72000e+00
Coefficient B			8.24240e-01
Coefficient C			-6.67280e-04
Coefficient D			2.20500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	173.05	J/mol×K	273.00	Calculated Property
Cp,gas	211.13	J/mol×K	353.78	Calculated Property
Cp,gas	243.54	J/mol×K	434.56	Calculated Property
Cp,gas	271.01	J/mol×K	515.33	Calculated Property
Cp,gas	294.21	J/mol×K	596.11	Calculated Property
Cp,gas	313.85	J/mol×K	676.89	Calculated Property
Cp,gas	330.63	J/mol×K	757.67	Calculated Property
Cp,gas	345.24	J/mol×K	838.44	Calculated Property
Cp,gas	358.37	J/mol×K	919.22	Calculated Property
Cp,gas	370.74	J/mol×K	1000.00	Calculated Property

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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