Chemical Properties of Isophthalic acid, cyclohexylmethyl isobutyl ester

InChI

InChI=1S/C19H26O4/c1-14(2)12-22-18(20)16-9-6-10-17(11-16)19(21)23-13-15-7-4-3-5-8-15/h6,9-11,14-15H,3-5,7-8,12-13H2,1-2H3

InChI Key

VPQCZLNBAOBINH-UHFFFAOYSA-N

Formula

C19H26O4

SMILES

CC(C)COC(=O)c1cccc(C(=O)OCC2CCCCC2)c1

Molecular Weight¹

318.41

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point 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 Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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	[814.54; 895.76]	J/mol×K	[837.47; 1061.50]
Cp,gas	814.54	J/mol×K	837.47	Joback Calculated Property
Cp,gas	831.77	J/mol×K	874.81	Joback Calculated Property
Cp,gas	847.48	J/mol×K	912.15	Joback Calculated Property
Cp,gas	861.71	J/mol×K	949.48	Joback Calculated Property
Cp,gas	874.48	J/mol×K	986.82	Joback Calculated Property
Cp,gas	885.82	J/mol×K	1024.16	Joback Calculated Property
Cp,gas	895.76	J/mol×K	1061.50	Joback Calculated Property
η	[0.0000598; 0.0008523]	Pa×s	[479.53; 837.47]
η	0.0008523	Pa×s	479.53	Joback Calculated Property
η	0.0004285	Pa×s	539.19	Joback Calculated Property
η	0.0002471	Pa×s	598.84	Joback Calculated Property
η	0.0001574	Pa×s	658.50	Joback Calculated Property
η	0.0001081	Pa×s	718.16	Joback Calculated Property
η	0.0000786	Pa×s	777.81	Joback Calculated Property
η	0.0000598	Pa×s	837.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, cyclohexylmethyl isobutyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.