Chemical Properties of 4-methyl-2-tert-butyl-6-hydroxym ethyl-phenol

InChI

InChI=1S/C12H18O2/c1-8-5-9(7-13)11(14)10(6-8)12(2,3)4/h5-6,13-14H,7H2,1-4H3

InChI Key

OVXVAICEGAXQFZ-UHFFFAOYSA-N

Formula

C12H18O2

SMILES

Cc1cc(CO)c(O)c(C(C)(C)C)c1

Molecular Weight¹

194.27

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• 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, Log10 of Water solubility in mol/l 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	[235.82; 556.37]	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			-4.14290e+01
Coefficient B			1.26038e+00
Coefficient C			-9.84680e-04
Coefficient D			3.22100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	235.82	J/mol×K	273.00	Calculated Property
Cp,gas	295.49	J/mol×K	353.78	Calculated Property
Cp,gas	346.76	J/mol×K	434.56	Calculated Property
Cp,gas	390.67	J/mol×K	515.33	Calculated Property
Cp,gas	428.22	J/mol×K	596.11	Calculated Property
Cp,gas	460.44	J/mol×K	676.89	Calculated Property
Cp,gas	488.35	J/mol×K	757.67	Calculated Property
Cp,gas	512.96	J/mol×K	838.44	Calculated Property
Cp,gas	535.30	J/mol×K	919.22	Calculated Property
Cp,gas	556.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003777; 0.0000107]	Pa×s	[451.42; 623.00]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-2.08277e+01
Coefficient B			5.84417e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			451.42
Temperature range, max.			623.00
η	0.0003777	Pa×s	451.42	Calculated Property
η	0.0002235	Pa×s	470.48	Calculated Property
η	0.0001378	Pa×s	489.55	Calculated Property
η	0.0000881	Pa×s	508.61	Calculated Property
η	0.0000581	Pa×s	527.68	Calculated Property
η	0.0000395	Pa×s	546.74	Calculated Property
η	0.0000276	Pa×s	565.81	Calculated Property
η	0.0000197	Pa×s	584.87	Calculated Property
η	0.0000144	Pa×s	603.94	Calculated Property
η	0.0000107	Pa×s	623.00	Calculated Property

Similar Compounds

Find more compounds similar to 4-methyl-2-tert-butyl-6-hydroxym ethyl-phenol.

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

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