Chemical Properties of 1,2,3-Benzenetricarboxylic acid, trimethyl ester (CAS 2672-57-3)

InChI

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

InChI Key

SBOCVSUCRFVXFE-UHFFFAOYSA-N

Formula

C12H12O6

SMILES

COC(=O)c1cccc(C(=O)OC)c1C(=O)OC

Molecular Weight¹

252.22

CAS

2672-57-3

Other Names

• Benzene-1,2,3-tricarboxylic acid, trimethyl ester

• 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_fusH : Enthalpy of fusion 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).
• 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

Property	Value	Unit	Source
ω	0.7632		Relay (1.0) Calculated Property
ΔfH°gas	-937.18	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.21	kJ/mol	Joback Calculated Property
ΔvapH°	78.29	kJ/mol	Relay (1.0) Calculated Property
IE	9.48	eV	Relay (1.0) Calculated Property
log10WS	-2.74		Relay (1.0) Calculated Property
logPoct/wat	1.046		Crippen Calculated Property
McVol	178.500	ml/mol	McGowan Calculated Property
Pc	2370.28	kPa	Joback Calculated Property
Inp	[1782.00; 1827.70]
Inp	1782.00		NIST
Inp	1827.70		NIST
Inp	1827.70		NIST
Tboil	581.29	K	Relay (1.0) Calculated Property
Tc	800.29	K	Relay (1.0) Calculated Property
Tfus	375.20 ± 0.20	K	NIST
Vc	0.662	m3/kmol	Relay (1.0) Calculated Property

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
ΔfusH	32.70	kJ/mol	375.70	NIST
ΔvapH	72.50	kJ/mol	483.00	NIST

Similar Compounds

Find more compounds similar to 1,2,3-Benzenetricarboxylic acid, trimethyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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