Chemical Properties of 2,3,6-Trimethylanisole

InChI

InChI=1S/C10H14O/c1-7-5-6-8(2)10(11-4)9(7)3/h5-6H,1-4H3

InChI Key

MIOQAXCZXWHELT-UHFFFAOYSA-N

Formula

C10H14O

SMILES

COc1c(C)ccc(C)c1C

Molecular Weight¹

150.22

Other Names

• Anisole, 2,3,6-trimethyl-

• 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	[183.42; 426.09]	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			2.82900e+01
Coefficient B			6.33280e-01
Coefficient C			-2.39280e-04
Coefficient D			3.80000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	183.42	J/mol×K	273.00	Calculated Property
Cp,gas	222.55	J/mol×K	353.78	Calculated Property
Cp,gas	258.61	J/mol×K	434.56	Calculated Property
Cp,gas	291.62	J/mol×K	515.33	Calculated Property
Cp,gas	321.57	J/mol×K	596.11	Calculated Property
Cp,gas	348.50	J/mol×K	676.89	Calculated Property
Cp,gas	372.40	J/mol×K	757.67	Calculated Property
Cp,gas	393.29	J/mol×K	838.44	Calculated Property
Cp,gas	411.18	J/mol×K	919.22	Calculated Property
Cp,gas	426.09	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010441; 0.0001757]	Pa×s	[288.67; 489.56]	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			-1.12079e+01
Coefficient B			1.25377e+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.			288.67
Temperature range, max.			489.56
η	0.0010441	Pa×s	288.67	Calculated Property
η	0.0007644	Pa×s	310.99	Calculated Property
η	0.0005836	Pa×s	333.31	Calculated Property
η	0.0004608	Pa×s	355.63	Calculated Property
η	0.0003742	Pa×s	377.96	Calculated Property
η	0.0003110	Pa×s	400.28	Calculated Property
η	0.0002636	Pa×s	422.60	Calculated Property
η	0.0002271	Pa×s	444.92	Calculated Property
η	0.0001985	Pa×s	467.24	Calculated Property
η	0.0001757	Pa×s	489.56	Calculated Property

Similar Compounds

Find more compounds similar to 2,3,6-Trimethylanisole.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.