Chemical Properties of Phenol, 2-(1,1-dimethylethyl)-4,6-dinitro-

InChI

InChI=1S/C10H12N2O5/c1-10(2,3)7-4-6(11(14)15)5-8(9(7)13)12(16)17/h4-5,13H,1-3H3

InChI Key

IIPZYDQGBIWLBU-UHFFFAOYSA-N

Formula

C10H12N2O5

SMILES

CC(C)(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O

Molecular Weight¹

240.22

Other Names

• 2,4-Dinitro-6-tert-butylphenol
• 2-(1,1-Dimethylethyl)-4,6-dinitrophenol
• 2-tert-Butyl-4,6-dinitrophenol
• 4,6-Dinitro-2-tert-butylphenol
• Dinoterbe
• Dntbp
• Herbogil
• NSC 166496
• Phenol, 2-t-butyl-4,6-dinitro-
• Phenol, 2-tert-butyl-4,6-dinitro-
• Phenol, o-t-butyl-4,6-dinitro-
• Phenol, o-tert-butyl-4,6-dinitro-
• Stirpan forte

• 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	[235.23; 526.98]	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			-3.39200e+01
Coefficient B			1.23508e+00
Coefficient C			-1.00228e-03
Coefficient D			3.28100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	235.23	J/mol×K	273.00	Calculated Property
Cp,gas	292.11	J/mol×K	353.78	Calculated Property
Cp,gas	340.45	J/mol×K	434.56	Calculated Property
Cp,gas	381.29	J/mol×K	515.33	Calculated Property
Cp,gas	415.67	J/mol×K	596.11	Calculated Property
Cp,gas	444.62	J/mol×K	676.89	Calculated Property
Cp,gas	469.20	J/mol×K	757.67	Calculated Property
Cp,gas	490.42	J/mol×K	838.44	Calculated Property
Cp,gas	509.34	J/mol×K	919.22	Calculated Property
Cp,gas	526.98	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 2-(1,1-dimethylethyl)-4,6-dinitro-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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