Chemical Properties of Methyl 3,4,6-trimetoxy-2-methyl-benzoate

InChI

InChI=1S/C12H16O5/c1-7-10(12(13)17-5)8(14-2)6-9(15-3)11(7)16-4/h6H,1-5H3

InChI Key

JVDDGFUMQFNKGJ-UHFFFAOYSA-N

Formula

C12H16O5

SMILES

COC(=O)c1c(OC)cc(OC)c(OC)c1C

Molecular Weight¹

240.26

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[464.27; 536.77]	J/mol×K	[646.24; 847.92]
Cp,gas	464.27	J/mol×K	646.24	Joback Calculated Property
Cp,gas	478.17	J/mol×K	679.85	Joback Calculated Property
Cp,gas	491.39	J/mol×K	713.47	Joback Calculated Property
Cp,gas	503.89	J/mol×K	747.08	Joback Calculated Property
Cp,gas	515.65	J/mol×K	780.70	Joback Calculated Property
Cp,gas	526.62	J/mol×K	814.31	Joback Calculated Property
Cp,gas	536.77	J/mol×K	847.92	Joback Calculated Property
η	[0.0000788; 0.0004764]	Pa×s	[410.52; 646.24]
η	0.0004764	Pa×s	410.52	Joback Calculated Property
η	0.0003097	Pa×s	449.81	Joback Calculated Property
η	0.0002157	Pa×s	489.09	Joback Calculated Property
η	0.0001586	Pa×s	528.38	Joback Calculated Property
η	0.0001216	Pa×s	567.67	Joback Calculated Property
η	0.0000966	Pa×s	606.95	Joback Calculated Property
η	0.0000788	Pa×s	646.24	Joback Calculated Property

Similar Compounds

Find more compounds similar to Methyl 3,4,6-trimetoxy-2-methyl-benzoate.

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.
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