Chemical Properties of 2-Methyl-6-t-butylanisole (CAS 60772-80-7)

InChI

InChI=1S/C12H18O/c1-9-7-6-8-10(11(9)13-5)12(2,3)4/h6-8H,1-5H3

InChI Key

XLPWABAEWSNQJE-UHFFFAOYSA-N

Formula

C12H18O

SMILES

COc1c(C)cccc1C(C)(C)C

Molecular Weight¹

178.27

CAS

60772-80-7

Other Names

• 2-tert-Butyl-6-methylphenol, methyl ether

• 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	[221.84; 533.78]	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			-1.23000e+01
Coefficient B			1.00860e+00
Coefficient C			-5.86920e-04
Coefficient D			1.24400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	221.84	J/mol×K	273.00	Calculated Property
Cp,gas	276.57	J/mol×K	353.78	Calculated Property
Cp,gas	325.37	J/mol×K	434.56	Calculated Property
Cp,gas	368.62	J/mol×K	515.33	Calculated Property
Cp,gas	406.73	J/mol×K	596.11	Calculated Property
Cp,gas	440.08	J/mol×K	676.89	Calculated Property
Cp,gas	469.06	J/mol×K	757.67	Calculated Property
Cp,gas	494.08	J/mol×K	838.44	Calculated Property
Cp,gas	515.52	J/mol×K	919.22	Calculated Property
Cp,gas	533.78	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018283; 0.0001622]	Pa×s	[301.11; 519.77]	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			-1.20627e+01
Coefficient B			1.73389e+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.			301.11
Temperature range, max.			519.77
η	0.0018283	Pa×s	301.11	Calculated Property
η	0.0011894	Pa×s	325.41	Calculated Property
η	0.0008214	Pa×s	349.70	Calculated Property
η	0.0005952	Pa×s	374.00	Calculated Property
η	0.0004486	Pa×s	398.29	Calculated Property
η	0.0003493	Pa×s	422.59	Calculated Property
η	0.0002794	Pa×s	446.88	Calculated Property
η	0.0002288	Pa×s	471.18	Calculated Property
η	0.0001910	Pa×s	495.47	Calculated Property
η	0.0001622	Pa×s	519.77	Calculated Property

Similar Compounds

Find more compounds similar to 2-Methyl-6-t-butylanisole.

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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