Chemical Properties of Isophthalic acid, isobutyl 4-tert-butylcyclohexyl ester

InChI

InChI=1S/C22H32O4/c1-15(2)14-25-20(23)16-7-6-8-17(13-16)21(24)26-19-11-9-18(10-12-19)22(3,4)5/h6-8,13,15,18-19H,9-12,14H2,1-5H3

InChI Key

MWRZDQZBCICQPL-UHFFFAOYSA-N

Formula

C22H32O4

SMILES

CC(C)COC(=O)c1cccc(C(=O)OC2CCC(C(C)(C)C)CC2)c1

Molecular Weight¹

360.49

• 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

Property	Value	Unit	Source
ΔfusH°	37.09	kJ/mol	Joback Calculated Property
log10WS	-5.89		Relay (1.0) Calculated Property
logPoct/wat	5.261		Crippen Calculated Property
McVol	301.100	ml/mol	McGowan Calculated Property
Inp	[2665.00; 2665.00]
Inp	2665.00		NIST
Inp	2665.00		NIST
Tboil	663.35	K	Relay (1.0) Calculated Property
Tfus	344.28	K	Relay (1.0) Calculated Property

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	[983.66; 1067.96]	J/mol×K	[862.27; 1084.75]
Cp,gas	983.66	J/mol×K	862.27	Joback Calculated Property
Cp,gas	1001.89	J/mol×K	899.35	Joback Calculated Property
Cp,gas	1018.37	J/mol×K	936.43	Joback Calculated Property
Cp,gas	1033.16	J/mol×K	973.51	Joback Calculated Property
Cp,gas	1046.31	J/mol×K	1010.59	Joback Calculated Property
Cp,gas	1057.89	J/mol×K	1047.67	Joback Calculated Property
Cp,gas	1067.96	J/mol×K	1084.75	Joback Calculated Property
η	[0.0000306; 0.0009871]	Pa×s	[451.86; 862.27]
η	0.0009871	Pa×s	451.86	Joback Calculated Property
η	0.0003781	Pa×s	520.26	Joback Calculated Property
η	0.0001810	Pa×s	588.66	Joback Calculated Property
η	0.0001010	Pa×s	657.07	Joback Calculated Property
η	0.0000629	Pa×s	725.47	Joback Calculated Property
η	0.0000425	Pa×s	793.87	Joback Calculated Property
η	0.0000306	Pa×s	862.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, isobutyl 4-tert-butylcyclohexyl 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.
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