Chemical Properties of 1,2,4,5-Benzene-tetracarboxylic acid tetrapropyl EsTEr

InChI

InChI=1S/C22H30O8/c1-5-9-27-19(23)15-13-17(21(25)29-11-7-3)18(22(26)30-12-8-4)14-16(15)20(24)28-10-6-2/h13-14H,5-12H2,1-4H3

InChI Key

SAMCWPHEYXOOMA-UHFFFAOYSA-N

Formula

C22H30O8

SMILES

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

Molecular Weight¹

422.47

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid 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°_liquid : Liquid 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

Property	Value	Unit	Source
ω	1.2193		Relay (1.0) Calculated Property
ΔcH°liquid	-11295.60 ± 3.50	kJ/mol	NIST
ΔfH°gas	[-1581.50; -1546.00]	kJ/mol
ΔfH°gas	-1581.50	kJ/mol	NIST
ΔfH°gas	-1546.00 ± 7.00	kJ/mol	NIST
ΔfH°liquid	[-1649.10; -1613.60]	kJ/mol
ΔfH°liquid	-1649.10 ± 3.70	kJ/mol	NIST
ΔfH°liquid	-1613.60 ± 3.50	kJ/mol	NIST
ΔfusH°	63.09	kJ/mol	Joback Calculated Property
ΔvapH°	67.60	kJ/mol	NIST
IE	9.48	eV	Relay (1.0) Calculated Property
log10WS	-5.20		Relay (1.0) Calculated Property
logPoct/wat	3.954		Crippen Calculated Property
McVol	326.840	ml/mol	McGowan Calculated Property
Pc	1093.54	kPa	Joback Calculated Property
Tboil	684.84	K	Relay (1.0) Calculated Property
Tc	872.23	K	Relay (1.0) Calculated Property
Tfus	280.97	K	Relay (1.0) Calculated Property
Vc	1.237	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	[1052.29; 1088.05]	J/mol×K	[977.46; 1196.80]
Cp,gas	1052.29	J/mol×K	977.46	Joback Calculated Property
Cp,gas	1063.00	J/mol×K	1014.02	Joback Calculated Property
Cp,gas	1071.82	J/mol×K	1050.57	Joback Calculated Property
Cp,gas	1078.74	J/mol×K	1087.13	Joback Calculated Property
Cp,gas	1083.76	J/mol×K	1123.69	Joback Calculated Property
Cp,gas	1086.86	J/mol×K	1160.24	Joback Calculated Property
Cp,gas	1088.05	J/mol×K	1196.80	Joback Calculated Property
η	[0.0000119; 0.0001930]	Pa×s	[571.00; 977.46]
η	0.0001930	Pa×s	571.00	Joback Calculated Property
η	0.0000949	Pa×s	638.74	Joback Calculated Property
η	0.0000535	Pa×s	706.49	Joback Calculated Property
η	0.0000333	Pa×s	774.23	Joback Calculated Property
η	0.0000224	Pa×s	841.97	Joback Calculated Property
η	0.0000160	Pa×s	909.72	Joback Calculated Property
η	0.0000119	Pa×s	977.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2,4,5-Benzene-tetracarboxylic acid tetrapropyl 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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