Chemical Properties of Benzene-1,3,5-tricarboxylic acid, 2-methoxy, trimethyl ester

InChI

InChI=1S/C13H14O7/c1-17-10-8(12(15)19-3)5-7(11(14)18-2)6-9(10)13(16)20-4/h5-6H,1-4H3

InChI Key

YVWHFCXTCIMUGG-UHFFFAOYSA-N

Formula

C13H14O7

SMILES

COC(=O)c1cc(C(=O)OC)c(OC)c(C(=O)OC)c1

Molecular Weight¹

282.25

• ω : Acentric Factor.
• 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).
• P_c : Critical Pressure (kPa).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[296.07; 605.19]	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			1.01790e+02
Coefficient B			7.53880e-01
Coefficient C			-1.18680e-04
Coefficient D			-1.31800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	296.07	J/mol×K	273.00	Calculated Property
Cp,gas	347.81	J/mol×K	353.78	Calculated Property
Cp,gas	396.17	J/mol×K	434.56	Calculated Property
Cp,gas	440.73	J/mol×K	515.33	Calculated Property
Cp,gas	481.09	J/mol×K	596.11	Calculated Property
Cp,gas	516.83	J/mol×K	676.89	Calculated Property
Cp,gas	547.52	J/mol×K	757.67	Calculated Property
Cp,gas	572.76	J/mol×K	838.44	Calculated Property
Cp,gas	592.12	J/mol×K	919.22	Calculated Property
Cp,gas	605.19	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005779; 0.0000847]	Pa×s	[449.47; 660.13]	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			-1.34752e+01
Coefficient B			2.70541e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			449.47
Temperature range, max.			660.13
η	0.0005779	Pa×s	449.47	Calculated Property
η	0.0004290	Pa×s	472.88	Calculated Property
η	0.0003275	Pa×s	496.28	Calculated Property
η	0.0002562	Pa×s	519.69	Calculated Property
η	0.0002047	Pa×s	543.10	Calculated Property
η	0.0001667	Pa×s	566.51	Calculated Property
η	0.0001379	Pa×s	589.91	Calculated Property
η	0.0001157	Pa×s	613.32	Calculated Property
η	0.0000984	Pa×s	636.73	Calculated Property
η	0.0000847	Pa×s	660.13	Calculated Property

Similar Compounds

Find more compounds similar to Benzene-1,3,5-tricarboxylic acid, 2-methoxy, trimethyl ester.

Sources

• Cheméo Relay (1.0)
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.