Chemical Properties of Benzenetricarboxylic acid, 1,2,4-, triphenyl ester

InChI

InChI=1S/C27H18O6/c28-25(31-20-10-4-1-5-11-20)19-16-17-23(26(29)32-21-12-6-2-7-13-21)24(18-19)27(30)33-22-14-8-3-9-15-22/h1-18H

InChI Key

ZOUSKILWBXOGIA-UHFFFAOYSA-N

Formula

C27H18O6

SMILES

O=C(Oc1ccccc1)c1ccc(C(=O)Oc2ccccc2)c(C(=O)Oc2ccccc2)c1

Molecular Weight¹

438.43

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

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[403.34; 956.43]	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			-5.24500e+01
Coefficient B			1.96980e+00
Coefficient C			-1.15192e-03
Coefficient D			1.91000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	403.34	J/mol×K	273.00	Calculated Property
Cp,gas	508.71	J/mol×K	353.78	Calculated Property
Cp,gas	601.68	J/mol×K	434.56	Calculated Property
Cp,gas	682.88	J/mol×K	515.33	Calculated Property
Cp,gas	752.90	J/mol×K	596.11	Calculated Property
Cp,gas	812.34	J/mol×K	676.89	Calculated Property
Cp,gas	861.81	J/mol×K	757.67	Calculated Property
Cp,gas	901.91	J/mol×K	838.44	Calculated Property
Cp,gas	933.25	J/mol×K	919.22	Calculated Property
Cp,gas	956.43	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001282; 0.0000172]	Pa×s	[651.76; 963.10]	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			-1.51808e+01
Coefficient B			4.05308e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			651.76
Temperature range, max.			963.10
η	0.0001282	Pa×s	651.76	Calculated Property
η	0.0000937	Pa×s	686.35	Calculated Property
η	0.0000706	Pa×s	720.95	Calculated Property
η	0.0000546	Pa×s	755.54	Calculated Property
η	0.0000431	Pa×s	790.13	Calculated Property
η	0.0000348	Pa×s	824.73	Calculated Property
η	0.0000285	Pa×s	859.32	Calculated Property
η	0.0000238	Pa×s	893.91	Calculated Property
η	0.0000201	Pa×s	928.51	Calculated Property
η	0.0000172	Pa×s	963.10	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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