Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, isobutyl octyl ester

InChI

InChI=1S/C20H36O4/c1-4-5-6-7-8-11-14-23-19(21)17-12-9-10-13-18(17)20(22)24-15-16(2)3/h16-18H,4-15H2,1-3H3

InChI Key

KXQYQKVACIQHEL-UHFFFAOYSA-N

Formula

C20H36O4

SMILES

CCCCCCCCOC(=O)C1CCCCC1C(=O)OCC(C)C

Molecular Weight¹

340.50

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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
ΔfH°gas	-1029.34	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.68	kJ/mol	Joback Calculated Property
ΔvapH°	94.19	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.29		Relay (1.0) Calculated Property
logPoct/wat	4.896		Crippen Calculated Property
McVol	296.680	ml/mol	McGowan Calculated Property
Inp	[2279.00; 2279.00]
Inp	2279.00		NIST
Inp	2279.00		NIST
Tboil	620.63	K	Relay (1.0) Calculated Property
Tfus	285.08	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[952.63; 1051.97]	J/mol×K	[788.08; 979.88]
Cp,gas	952.63	J/mol×K	788.08	Joback Calculated Property
Cp,gas	972.57	J/mol×K	820.05	Joback Calculated Property
Cp,gas	991.13	J/mol×K	852.01	Joback Calculated Property
Cp,gas	1008.33	J/mol×K	883.98	Joback Calculated Property
Cp,gas	1024.19	J/mol×K	915.95	Joback Calculated Property
Cp,gas	1038.73	J/mol×K	947.91	Joback Calculated Property
Cp,gas	1051.97	J/mol×K	979.88	Joback Calculated Property
η	[0.0000506; 0.0022142]	Pa×s	[387.96; 788.08]
η	0.0022142	Pa×s	387.96	Joback Calculated Property
η	0.0007432	Pa×s	454.65	Joback Calculated Property
η	0.0003298	Pa×s	521.33	Joback Calculated Property
η	0.0001760	Pa×s	588.02	Joback Calculated Property
η	0.0001067	Pa×s	654.71	Joback Calculated Property
η	0.0000710	Pa×s	721.39	Joback Calculated Property
η	0.0000506	Pa×s	788.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, isobutyl octyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.