Chemical Properties of Terephthalic acid, dodec-2-enyl isobutyl ester

InChI

InChI=1S/C24H36O4/c1-4-5-6-7-8-9-10-11-12-13-18-27-23(25)21-14-16-22(17-15-21)24(26)28-19-20(2)3/h12-17,20H,4-11,18-19H2,1-3H3/b13-12+

InChI Key

MVZGITWJZFKYFS-OUKQBFOZSA-N

Formula

C24H36O4

SMILES

CCCCCCCCC/C=C/COC(=O)c1ccc(C(=O)OCC(C)C)cc1

Molecular Weight¹

388.55

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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	1.0431		Relay (1.0) Calculated Property
ΔfusH°	56.98	kJ/mol	Joback Calculated Property
ΔvapH°	115.57	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.03		Relay (1.0) Calculated Property
logPoct/wat	6.353		Crippen Calculated Property
McVol	335.840	ml/mol	McGowan Calculated Property
Pc	1016.83	kPa	Joback Calculated Property
Inp	[2938.00; 2938.00]
Inp	2938.00		NIST
Inp	2938.00		NIST
Tboil	661.06	K	Relay (1.0) Calculated Property
Tc	864.97	K	Relay (1.0) Calculated Property
Tfus	286.01	K	Relay (1.0) Calculated Property
Vc	1.233	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Ionization energy 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	[1077.25; 1158.66]	J/mol×K	[900.54; 1106.09]
Cp,gas	1077.25	J/mol×K	900.54	Joback Calculated Property
Cp,gas	1093.94	J/mol×K	934.80	Joback Calculated Property
Cp,gas	1109.32	J/mol×K	969.06	Joback Calculated Property
Cp,gas	1123.43	J/mol×K	1003.32	Joback Calculated Property
Cp,gas	1136.33	J/mol×K	1037.57	Joback Calculated Property
Cp,gas	1148.05	J/mol×K	1071.83	Joback Calculated Property
Cp,gas	1158.66	J/mol×K	1106.09	Joback Calculated Property
η	[0.0000188; 0.0006206]	Pa×s	[463.76; 900.54]
η	0.0006206	Pa×s	463.76	Joback Calculated Property
η	0.0002332	Pa×s	536.56	Joback Calculated Property
η	0.0001107	Pa×s	609.35	Joback Calculated Property
η	0.0000616	Pa×s	682.15	Joback Calculated Property
η	0.0000384	Pa×s	754.95	Joback Calculated Property
η	0.0000260	Pa×s	827.74	Joback Calculated Property
η	0.0000188	Pa×s	900.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, dodec-2-enyl isobutyl ester.

Sources

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

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