Chemical Properties of Benzene-1,2,3-tricarboxylic acid, 5-methoxy, trimethyl ester

InChI

InChI=1S/C13H14O7/c1-17-7-5-8(11(14)18-2)10(13(16)20-4)9(6-7)12(15)19-3/h5-6H,1-4H3

InChI Key

FBCOAHOXYPCSMM-UHFFFAOYSA-N

Formula

C13H14O7

SMILES

COC(=O)c1cc(OC)cc(C(=O)OC)c1C(=O)OC

Molecular Weight¹

282.25

• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1086.65	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.59	kJ/mol	Joback Calculated Property
ΔvapH°	81.40	kJ/mol	Relay (1.0) Calculated Property
IE	8.78	eV	Relay (1.0) Calculated Property
log10WS	-3.18		Relay (1.0) Calculated Property
logPoct/wat	1.055		Crippen Calculated Property
McVol	198.460	ml/mol	McGowan Calculated Property
Pc	2100.34	kPa	Joback Calculated Property
Inp	[1998.00; 1998.00]
Inp	1998.00		NIST
Inp	1998.00		NIST
Tboil	600.84	K	Relay (1.0) Calculated Property
Tc	824.62	K	Relay (1.0) Calculated Property
Tfus	362.40	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[539.72; 596.65]	J/mol×K	[735.74; 943.05]
Cp,gas	539.72	J/mol×K	735.74	Joback Calculated Property
Cp,gas	551.84	J/mol×K	770.29	Joback Calculated Property
Cp,gas	562.95	J/mol×K	804.84	Joback Calculated Property
Cp,gas	573.02	J/mol×K	839.39	Joback Calculated Property
Cp,gas	582.02	J/mol×K	873.95	Joback Calculated Property
Cp,gas	589.90	J/mol×K	908.50	Joback Calculated Property
Cp,gas	596.65	J/mol×K	943.05	Joback Calculated Property
η	[0.0000556; 0.0005779]	Pa×s	[449.47; 735.74]
η	0.0005779	Pa×s	449.47	Joback Calculated Property
η	0.0003243	Pa×s	497.18	Joback Calculated Property
η	0.0002014	Pa×s	544.89	Joback Calculated Property
η	0.0001350	Pa×s	592.61	Joback Calculated Property
η	0.0000961	Pa×s	640.32	Joback Calculated Property
η	0.0000717	Pa×s	688.03	Joback Calculated Property
η	0.0000556	Pa×s	735.74	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzene-1,2,3-tricarboxylic acid, 5-methoxy, 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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