Chemical Properties of 1,3-Benzenedicarboxylic acid, 4-methoxy-, dimethyl ester (CAS 22955-73-3)

InChI

InChI=1S/C11H12O5/c1-14-9-5-4-7(10(12)15-2)6-8(9)11(13)16-3/h4-6H,1-3H3

InChI Key

VYLTWLWJTAJDSS-UHFFFAOYSA-N

Formula

C11H12O5

SMILES

COC(=O)c1ccc(OC)c(C(=O)OC)c1

Molecular Weight¹

224.21

CAS

22955-73-3

Other Names

• dimethyl 4-methoxyisophthalate

• 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	[234.76; 496.94]	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			6.39000e+01
Coefficient B			6.78160e-01
Coefficient C			-1.71520e-04
Coefficient D			-7.36000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	234.76	J/mol×K	273.00	Calculated Property
Cp,gas	279.09	J/mol×K	353.78	Calculated Property
Cp,gas	320.17	J/mol×K	434.56	Calculated Property
Cp,gas	357.76	J/mol×K	515.33	Calculated Property
Cp,gas	391.62	J/mol×K	596.11	Calculated Property
Cp,gas	421.53	J/mol×K	676.89	Calculated Property
Cp,gas	447.24	J/mol×K	757.67	Calculated Property
Cp,gas	468.54	J/mol×K	838.44	Calculated Property
Cp,gas	485.18	J/mol×K	919.22	Calculated Property
Cp,gas	496.94	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011373; 0.0001346]	Pa×s	[372.08; 585.49]	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			-1.26344e+01
Coefficient B			2.17863e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			372.08
Temperature range, max.			585.49
η	0.0011373	Pa×s	372.08	Calculated Property
η	0.0008008	Pa×s	395.79	Calculated Property
η	0.0005867	Pa×s	419.51	Calculated Property
η	0.0004443	Pa×s	443.22	Calculated Property
η	0.0003462	Pa×s	466.93	Calculated Property
η	0.0002763	Pa×s	490.64	Calculated Property
η	0.0002251	Pa×s	514.36	Calculated Property
η	0.0001868	Pa×s	538.07	Calculated Property
η	0.0001575	Pa×s	561.78	Calculated Property
η	0.0001346	Pa×s	585.49	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Benzenedicarboxylic acid, 4-methoxy-, dimethyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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