Chemical Properties of 1,2-Benzenedicarboxylic acid, 4-methyl-, dimethyl ester (CAS 20116-65-8)

InChI

InChI=1S/C11H12O4/c1-7-4-5-8(10(12)14-2)9(6-7)11(13)15-3/h4-6H,1-3H3

InChI Key

GICLKLDOSTVQQA-UHFFFAOYSA-N

Formula

C11H12O4

SMILES

COC(=O)c1ccc(C)cc1C(=O)OC

Molecular Weight¹

208.21

CAS

20116-65-8

Other Names

• Phthalic acid, 4-methyl-, dimethyl ester
• Dimethyl 4-methyl-1,2-benzenedicarboxylate
• dimethyl 4-methylphthalate

• 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).
• 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	[219.35; 478.44]	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			3.84000e+01
Coefficient B			7.41360e-01
Coefficient C			-2.82520e-04
Coefficient D			-1.88000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	219.35	J/mol×K	273.00	Calculated Property
Cp,gas	264.48	J/mol×K	353.78	Calculated Property
Cp,gas	305.67	J/mol×K	434.56	Calculated Property
Cp,gas	342.85	J/mol×K	515.33	Calculated Property
Cp,gas	375.96	J/mol×K	596.11	Calculated Property
Cp,gas	404.94	J/mol×K	676.89	Calculated Property
Cp,gas	429.74	J/mol×K	757.67	Calculated Property
Cp,gas	450.30	J/mol×K	838.44	Calculated Property
Cp,gas	466.55	J/mol×K	919.22	Calculated Property
Cp,gas	478.44	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015899; 0.0001627]	Pa×s	[349.85; 571.42]	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			-1.23224e+01
Coefficient B			2.05654e+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.			349.85
Temperature range, max.			571.42
η	0.0015899	Pa×s	349.85	Calculated Property
η	0.0010803	Pa×s	374.47	Calculated Property
η	0.0007698	Pa×s	399.09	Calculated Property
η	0.0005706	Pa×s	423.71	Calculated Property
η	0.0004371	Pa×s	448.32	Calculated Property
η	0.0003443	Pa×s	472.94	Calculated Property
η	0.0002776	Pa×s	497.56	Calculated Property
η	0.0002285	Pa×s	522.18	Calculated Property
η	0.0001914	Pa×s	546.80	Calculated Property
η	0.0001627	Pa×s	571.42	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Benzenedicarboxylic acid, 4-methyl-, dimethyl ester.

Sources

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

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