Chemical Properties of Terephthalic acid, isobutyl 4-methylpent-2-yl ester

InChI

InChI=1S/C18H26O4/c1-12(2)10-14(5)22-18(20)16-8-6-15(7-9-16)17(19)21-11-13(3)4/h6-9,12-14H,10-11H2,1-5H3

InChI Key

VXQUEYYKIACGRS-UHFFFAOYSA-N

Formula

C18H26O4

SMILES

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

Molecular Weight¹

306.40

• 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).
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation 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	[762.86; 843.45]	J/mol×K	[794.16; 1001.35]
Cp,gas	762.86	J/mol×K	794.16	Joback Calculated Property
Cp,gas	779.12	J/mol×K	828.69	Joback Calculated Property
Cp,gas	794.22	J/mol×K	863.22	Joback Calculated Property
Cp,gas	808.19	J/mol×K	897.75	Joback Calculated Property
Cp,gas	821.04	J/mol×K	932.29	Joback Calculated Property
Cp,gas	832.78	J/mol×K	966.82	Joback Calculated Property
Cp,gas	843.45	J/mol×K	1001.35	Joback Calculated Property
η	[0.0000559; 0.0011366]	Pa×s	[430.88; 794.16]
η	0.0011366	Pa×s	430.88	Joback Calculated Property
η	0.0005049	Pa×s	491.43	Joback Calculated Property
η	0.0002680	Pa×s	551.97	Joback Calculated Property
η	0.0001612	Pa×s	612.52	Joback Calculated Property
η	0.0001063	Pa×s	673.07	Joback Calculated Property
η	0.0000751	Pa×s	733.61	Joback Calculated Property
η	0.0000559	Pa×s	794.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, isobutyl 4-methylpent-2-yl 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.