Chemical Properties of o-(tert-Butyl)anisole

InChI

InChI=1S/C11H16O/c1-11(2,3)9-7-5-6-8-10(9)12-4/h5-8H,1-4H3

InChI Key

YIQUTYFGUKCQCY-UHFFFAOYSA-N

Formula

C11H16O

SMILES

COc1ccccc1C(C)(C)C

Molecular Weight¹

164.24

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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_c : Critical 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 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	[198.07; 485.23]	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			-2.56900e+01
Coefficient B			9.73080e-01
Coefficient C			-5.99560e-04
Coefficient D			1.37400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	198.07	J/mol×K	273.00	Calculated Property
Cp,gas	249.61	J/mol×K	353.78	Calculated Property
Cp,gas	295.22	J/mol×K	434.56	Calculated Property
Cp,gas	335.35	J/mol×K	515.33	Calculated Property
Cp,gas	370.43	J/mol×K	596.11	Calculated Property
Cp,gas	400.88	J/mol×K	676.89	Calculated Property
Cp,gas	427.16	J/mol×K	757.67	Calculated Property
Cp,gas	449.69	J/mol×K	838.44	Calculated Property
Cp,gas	468.90	J/mol×K	919.22	Calculated Property
Cp,gas	485.23	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0026267; 0.0001716]	Pa×s	[277.32; 501.85]	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			-1.20396e+01
Coefficient B			1.69099e+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.			277.32
Temperature range, max.			501.85
η	0.0026267	Pa×s	277.32	Calculated Property
η	0.0015880	Pa×s	302.27	Calculated Property
η	0.0010366	Pa×s	327.22	Calculated Property
η	0.0007188	Pa×s	352.16	Calculated Property
η	0.0005232	Pa×s	377.11	Calculated Property
η	0.0003961	Pa×s	402.06	Calculated Property
η	0.0003098	Pa×s	427.01	Calculated Property
η	0.0002490	Pa×s	451.96	Calculated Property
η	0.0002047	Pa×s	476.90	Calculated Property
η	0.0001716	Pa×s	501.85	Calculated Property

Similar Compounds

Find more compounds similar to o-(tert-Butyl)anisole.

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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