Chemical Properties of 1,3,5-Benzenetricarboxylic acid, trimethyl ester (CAS 2672-58-4)

InChI

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

InChI Key

RGCHNYAILFZUPL-UHFFFAOYSA-N

Formula

C12H12O6

SMILES

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

Molecular Weight¹

252.22

CAS

2672-58-4

Other Names

• Trimesic acid trimethyl ester
• Trimethyl trimesate
• Trimethyl 1,3,5-benzenetricarboxylate
• Trimethyl benzene-1,3,5-tricarboxylate

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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

Property	Value	Unit	Source
ΔcH°solid	-5336.00 ± 1.00	kJ/mol	NIST
ΔfG°	-558.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-811.82	kJ/mol	Joback Calculated Property
ΔfH°solid	-1101.10 ± 1.20	kJ/mol	NIST
ΔfusH°	28.46	kJ/mol	Joback Calculated Property
ΔsubH°	[117.50; 118.90]	kJ/mol
ΔsubH°	118.90 ± 0.40	kJ/mol	NIST
ΔsubH°	117.50 ± 0.80	kJ/mol	NIST
ΔvapH°	73.37	kJ/mol	Joback Calculated Property
log10WS	-2.20		Crippen Calculated Property
logPoct/wat	1.046		Crippen Calculated Property
McVol	178.500	ml/mol	McGowan Calculated Property
Pc	2681.86	kPa	Joback Calculated Property
Inp	[1860.00; 1892.00]
Inp	1872.00		NIST
Inp	1879.00		NIST
Inp	1860.00		NIST
Inp	1892.00		NIST
Inp	1860.00		NIST
Inp	1872.00		NIST
Tboil	739.47	K	Joback Calculated Property
Tc	956.11	K	Joback Calculated Property
Tfus	419.40 ± 0.10	K	NIST
Vc	0.671	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[473.46; 529.23]	J/mol×K	[739.47; 956.11]
Cp,gas	473.46	J/mol×K	739.47	Joback Calculated Property
Cp,gas	485.01	J/mol×K	775.58	Joback Calculated Property
Cp,gas	495.68	J/mol×K	811.68	Joback Calculated Property
Cp,gas	505.47	J/mol×K	847.79	Joback Calculated Property
Cp,gas	514.34	J/mol×K	883.89	Joback Calculated Property
Cp,gas	522.27	J/mol×K	920.00	Joback Calculated Property
Cp,gas	529.23	J/mol×K	956.11	Joback Calculated Property
η	[0.0001164; 0.0006214]	Pa×s	[492.94; 739.47]
η	0.0006214	Pa×s	492.94	Joback Calculated Property
η	0.0004222	Pa×s	534.03	Joback Calculated Property
η	0.0003031	Pa×s	575.12	Joback Calculated Property
η	0.0002275	Pa×s	616.21	Joback Calculated Property
η	0.0001770	Pa×s	657.29	Joback Calculated Property
η	0.0001418	Pa×s	698.38	Joback Calculated Property
η	0.0001164	Pa×s	739.47	Joback Calculated Property
ΔfusH	17.60	kJ/mol	419.40	NIST
ΔsubH	115.90 ± 0.40	kJ/mol	359.00	NIST
ΔvapH	75.40	kJ/mol	478.00	NIST

Similar Compounds

Find more compounds similar to 1,3,5-Benzenetricarboxylic acid, trimethyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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