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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[464.16; 522.69]	J/mol×K	[685.46; 896.45]
Cp,gas	464.16	J/mol×K	685.46	Joback Calculated Property
Cp,gas	476.32	J/mol×K	720.62	Joback Calculated Property
Cp,gas	487.55	J/mol×K	755.79	Joback Calculated Property
Cp,gas	497.81	J/mol×K	790.95	Joback Calculated Property
Cp,gas	507.10	J/mol×K	826.12	Joback Calculated Property
Cp,gas	515.40	J/mol×K	861.28	Joback Calculated Property
Cp,gas	522.69	J/mol×K	896.45	Joback Calculated Property
η	[0.0000835; 0.0011138]	Pa×s	[403.45; 685.46]
η	0.0011138	Pa×s	403.45	Joback Calculated Property
η	0.0005774	Pa×s	450.45	Joback Calculated Property
η	0.0003389	Pa×s	497.45	Joback Calculated Property
η	0.0002181	Pa×s	544.46	Joback Calculated Property
η	0.0001505	Pa×s	591.46	Joback Calculated Property
η	0.0001097	Pa×s	638.46	Joback Calculated Property
η	0.0000835	Pa×s	685.46	Joback Calculated Property

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

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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