Chemical Properties of 2-TERT-BUTYL-4-METHYL-6-(A-METHYLBENZYL)PHENOL

InChI

InChI=1S/C19H24O/c1-13-11-16(14(2)15-9-7-6-8-10-15)18(20)17(12-13)19(3,4)5/h6-12,14,20H,1-5H3

InChI Key

KYWXWCOPNNMDMN-UHFFFAOYSA-N

Formula

C19H24O

SMILES

Cc1cc(C(C)c2ccccc2)c(O)c(C(C)(C)C)c1

Molecular Weight¹

268.40

Other Names

• 2-tert-butyl-4-methyl-6-«alpha»-methylbenzylphenol

• 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_fusH : Enthalpy of fusion at a given temperature (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).
• 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[314.24; 780.85]	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			-8.86700e+01
Coefficient B			1.81840e+00
Coefficient C			-1.36948e-03
Coefficient D			4.20600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	314.24	J/mol×K	273.00	Calculated Property
Cp,gas	401.86	J/mol×K	353.78	Calculated Property
Cp,gas	477.43	J/mol×K	434.56	Calculated Property
Cp,gas	542.28	J/mol×K	515.33	Calculated Property
Cp,gas	597.75	J/mol×K	596.11	Calculated Property
Cp,gas	645.16	J/mol×K	676.89	Calculated Property
Cp,gas	685.85	J/mol×K	757.67	Calculated Property
Cp,gas	721.14	J/mol×K	838.44	Calculated Property
Cp,gas	752.36	J/mol×K	919.22	Calculated Property
Cp,gas	780.85	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0180467; 0.0000095]	Pa×s	[338.00; 712.40]	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			-1.83785e+01
Coefficient B			4.85494e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			338.00
Temperature range, max.			712.40
η	0.0180467	Pa×s	338.00	Calculated Property
η	0.0037392	Pa×s	379.60	Calculated Property
η	0.0010573	Pa×s	421.20	Calculated Property
η	0.0003752	Pa×s	462.80	Calculated Property
η	0.0001579	Pa×s	504.40	Calculated Property
η	0.0000759	Pa×s	546.00	Calculated Property
η	0.0000404	Pa×s	587.60	Calculated Property
η	0.0000234	Pa×s	629.20	Calculated Property
η	0.0000145	Pa×s	670.80	Calculated Property
η	0.0000095	Pa×s	712.40	Calculated Property

Similar Compounds

Find more compounds similar to 2-TERT-BUTYL-4-METHYL-6-(A-METHYLBENZYL)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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