Chemical Properties of Phenol, 2,3,4,6-tetranitro

InChI

InChI=1S/C6H2N4O9/c11-6-3(8(14)15)1-2(7(12)13)4(9(16)17)5(6)10(18)19/h1,11H

InChI Key

PXPBDJVBNWDUFM-UHFFFAOYSA-N

Formula

C6H2N4O9

SMILES

O=[N+]([O-])c1cc([N+](=O)[O-])c([N+](=O)[O-])c([N+](=O)[O-])c1O

Molecular Weight¹

274.10

• 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_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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[208.73; 408.57]	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			1.94700e+01
Coefficient B			8.68440e-01
Coefficient C			-7.02640e-04
Coefficient D			2.23300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	208.73	J/mol×K	273.00	Calculated Property
Cp,gas	248.65	J/mol×K	353.78	Calculated Property
Cp,gas	282.49	J/mol×K	434.56	Calculated Property
Cp,gas	310.97	J/mol×K	515.33	Calculated Property
Cp,gas	334.78	J/mol×K	596.11	Calculated Property
Cp,gas	354.63	J/mol×K	676.89	Calculated Property
Cp,gas	371.22	J/mol×K	757.67	Calculated Property
Cp,gas	385.28	J/mol×K	838.44	Calculated Property
Cp,gas	397.49	J/mol×K	919.22	Calculated Property
Cp,gas	408.57	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 2,3,4,6-tetranitro.

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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