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

InChI

InChI=1S/C20H30O4/c1-6-18(15(4)5)24-20(22)17-11-9-16(10-12-17)19(21)23-13-7-8-14(2)3/h9-12,14-15,18H,6-8,13H2,1-5H3

InChI Key

XRBSXPHKLDSMMT-UHFFFAOYSA-N

Formula

C20H30O4

SMILES

CCC(OC(=O)c1ccc(C(=O)OCCCC(C)C)cc1)C(C)C

Molecular Weight¹

334.45

• 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	[879.27; 960.66]	J/mol×K	[839.92; 1045.58]
Cp,gas	879.27	J/mol×K	839.92	Joback Calculated Property
Cp,gas	895.82	J/mol×K	874.20	Joback Calculated Property
Cp,gas	911.14	J/mol×K	908.47	Joback Calculated Property
Cp,gas	925.26	J/mol×K	942.75	Joback Calculated Property
Cp,gas	938.21	J/mol×K	977.03	Joback Calculated Property
Cp,gas	950.00	J/mol×K	1011.30	Joback Calculated Property
Cp,gas	960.66	J/mol×K	1045.58	Joback Calculated Property
η	[0.0000422; 0.0009099]	Pa×s	[453.42; 839.92]
η	0.0009099	Pa×s	453.42	Joback Calculated Property
η	0.0003967	Pa×s	517.84	Joback Calculated Property
η	0.0002078	Pa×s	582.25	Joback Calculated Property
η	0.0001239	Pa×s	646.67	Joback Calculated Property
η	0.0000811	Pa×s	711.09	Joback Calculated Property
η	0.0000569	Pa×s	775.50	Joback Calculated Property
η	0.0000422	Pa×s	839.92	Joback Calculated Property

Similar Compounds

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

Sources

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

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