Chemical Properties of Terephthalic acid, isohexyl 3-methylbut-2-yl ester

InChI

InChI=1S/C19H28O4/c1-13(2)7-6-12-22-18(20)16-8-10-17(11-9-16)19(21)23-15(5)14(3)4/h8-11,13-15H,6-7,12H2,1-5H3

InChI Key

VWKWGNHIXSUFSX-UHFFFAOYSA-N

Formula

C19H28O4

SMILES

CC(C)CCCOC(=O)c1ccc(C(=O)OC(C)C(C)C)cc1

Molecular Weight¹

320.42

• 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).
• 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

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization 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	[820.65; 901.72]	J/mol×K	[817.04; 1023.15]
Cp,gas	820.65	J/mol×K	817.04	Joback Calculated Property
Cp,gas	837.06	J/mol×K	851.39	Joback Calculated Property
Cp,gas	852.29	J/mol×K	885.74	Joback Calculated Property
Cp,gas	866.34	J/mol×K	920.09	Joback Calculated Property
Cp,gas	879.25	J/mol×K	954.45	Joback Calculated Property
Cp,gas	891.04	J/mol×K	988.80	Joback Calculated Property
Cp,gas	901.72	J/mol×K	1023.15	Joback Calculated Property
η	[0.0000486; 0.0010191]	Pa×s	[442.15; 817.04]
η	0.0010191	Pa×s	442.15	Joback Calculated Property
η	0.0004484	Pa×s	504.63	Joback Calculated Property
η	0.0002364	Pa×s	567.11	Joback Calculated Property
η	0.0001415	Pa×s	629.60	Joback Calculated Property
η	0.0000930	Pa×s	692.08	Joback Calculated Property
η	0.0000655	Pa×s	754.56	Joback Calculated Property
η	0.0000486	Pa×s	817.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, isohexyl 3-methylbut-2-yl ester.

Sources

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

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