Chemical Properties of 1,2,4,5-Benzene-tetracarboxylic acid, dipropyl ester (CAS 56941-72-1)

InChI

InChI=1S/C16H18O8/c1-3-5-23-15(21)11-7-10(14(19)20)12(8-9(11)13(17)18)16(22)24-6-4-2/h7-8H,3-6H2,1-2H3,(H,17,18)(H,19,20)

InChI Key

UMPAINQRYDYVBA-UHFFFAOYSA-N

Formula

C16H18O8

SMILES

CCCOC(=O)c1cc(C(=O)O)c(C(=O)OCCC)cc1C(=O)O

Molecular Weight¹

338.31

CAS

56941-72-1

• ω : Acentric Factor.
• 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_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_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).
• 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

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[355.22; 754.91]	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			5.73540e+01
Coefficient B			1.25844e+00
Coefficient C			-6.32680e-04
Coefficient D			7.18000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	355.22	J/mol×K	273.00	Calculated Property
Cp,gas	426.56	J/mol×K	353.78	Calculated Property
Cp,gas	490.63	J/mol×K	434.56	Calculated Property
Cp,gas	547.68	J/mol×K	515.33	Calculated Property
Cp,gas	597.91	J/mol×K	596.11	Calculated Property
Cp,gas	641.57	J/mol×K	676.89	Calculated Property
Cp,gas	678.87	J/mol×K	757.67	Calculated Property
Cp,gas	710.04	J/mol×K	838.44	Calculated Property
Cp,gas	735.31	J/mol×K	919.22	Calculated Property
Cp,gas	754.91	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001196; 0.0000525]	Pa×s	[739.92; 872.39]	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			-1.44560e+01
Coefficient B			4.01396e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			739.92
Temperature range, max.			872.39
η	0.0001196	Pa×s	739.92	Calculated Property
η	0.0001076	Pa×s	754.64	Calculated Property
η	0.0000972	Pa×s	769.36	Calculated Property
η	0.0000881	Pa×s	784.08	Calculated Property
η	0.0000802	Pa×s	798.80	Calculated Property
η	0.0000732	Pa×s	813.52	Calculated Property
η	0.0000671	Pa×s	828.23	Calculated Property
η	0.0000616	Pa×s	842.95	Calculated Property
η	0.0000568	Pa×s	857.67	Calculated Property
η	0.0000525	Pa×s	872.39	Calculated Property

Similar Compounds

Find more compounds similar to 1,2,4,5-Benzene-tetracarboxylic acid, dipropyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.