Chemical Properties of Terephthalic acid, but-2-enyl isohexyl ester

InChI

InChI=1S/C18H24O4/c1-4-5-12-21-17(19)15-8-10-16(11-9-15)18(20)22-13-6-7-14(2)3/h4-5,8-11,14H,6-7,12-13H2,1-3H3/b5-4-

InChI Key

QWLCAMQBZSYWOM-SNAWJCMRSA-N

Formula

C18H24O4

SMILES

C/C=C/COC(=O)c1ccc(C(=O)OCCCC(C)C)cc1

Molecular Weight¹

304.39

• 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	[724.91; 803.23]	J/mol×K	[763.26; 966.58]
Cp,gas	724.91	J/mol×K	763.26	Joback Calculated Property
Cp,gas	740.68	J/mol×K	797.15	Joback Calculated Property
Cp,gas	755.32	J/mol×K	831.03	Joback Calculated Property
Cp,gas	768.86	J/mol×K	864.92	Joback Calculated Property
Cp,gas	781.34	J/mol×K	898.81	Joback Calculated Property
Cp,gas	792.78	J/mol×K	932.70	Joback Calculated Property
Cp,gas	803.23	J/mol×K	966.58	Joback Calculated Property
η	[0.0000451; 0.0013208]	Pa×s	[396.14; 763.26]
η	0.0013208	Pa×s	396.14	Joback Calculated Property
η	0.0005163	Pa×s	457.33	Joback Calculated Property
η	0.0002519	Pa×s	518.51	Joback Calculated Property
η	0.0001430	Pa×s	579.70	Joback Calculated Property
η	0.0000905	Pa×s	640.89	Joback Calculated Property
η	0.0000620	Pa×s	702.07	Joback Calculated Property
η	0.0000451	Pa×s	763.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, but-2-enyl isohexyl ester.

Sources

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

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