Chemical Properties of 1,2,4-Benzenetricarboxylic acid, trimethyl ester (CAS 2459-10-1)

InChI

InChI=1S/C12H12O6/c1-16-10(13)7-4-5-8(11(14)17-2)9(6-7)12(15)18-3/h4-6H,1-3H3

InChI Key

MJHNUUNSCNRGJE-UHFFFAOYSA-N

Formula

C12H12O6

SMILES

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

Molecular Weight¹

252.22

CAS

2459-10-1

Other Names

• Methyl trimellitate
• Trimellitic acid trimethyl ester
• Trimethyl trimellitate
• Trimethyl 1,2,4-benzenetricarboxylate
• 1,2,4-Tris(methoxycarbonyl)benzene
• trimethyl benzene-1,2,4-tricarboxylate

• 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_boilr : Boiling point at reduced pressure (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.

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[436.00; 467.20]	K	[0.30; 1.60]
Tboilr	436.00 ± 2.00	K	0.30	NIST
Tboilr	467.20	K	1.60	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[256.90; 538.14]	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			6.29000e+01
Coefficient B			7.81560e-01
Coefficient C			-2.42320e-04
Coefficient D			-6.40000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	256.90	J/mol×K	273.00	Calculated Property
Cp,gas	306.24	J/mol×K	353.78	Calculated Property
Cp,gas	351.52	J/mol×K	434.56	Calculated Property
Cp,gas	392.55	J/mol×K	515.33	Calculated Property
Cp,gas	429.13	J/mol×K	596.11	Calculated Property
Cp,gas	461.05	J/mol×K	676.89	Calculated Property
Cp,gas	488.12	J/mol×K	757.67	Calculated Property
Cp,gas	510.12	J/mol×K	838.44	Calculated Property
Cp,gas	526.86	J/mol×K	919.22	Calculated Property
Cp,gas	538.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011138; 0.0001176]	Pa×s	[403.45; 627.51]	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			-1.30967e+01
Coefficient B			2.54042e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			403.45
Temperature range, max.			627.51
η	0.0011138	Pa×s	403.45	Calculated Property
η	0.0007725	Pa×s	428.35	Calculated Property
η	0.0005577	Pa×s	453.24	Calculated Property
η	0.0004165	Pa×s	478.14	Calculated Property
η	0.0003202	Pa×s	503.03	Calculated Property
η	0.0002524	Pa×s	527.93	Calculated Property
η	0.0002032	Pa×s	552.83	Calculated Property
η	0.0001667	Pa×s	577.72	Calculated Property
η	0.0001390	Pa×s	602.62	Calculated Property
η	0.0001176	Pa×s	627.51	Calculated Property

Similar Compounds

Find more compounds similar to 1,2,4-Benzenetricarboxylic acid, trimethyl ester.

Sources

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

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