Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, hexyl 4-octyl ester

InChI

InChI=1S/C22H40O4/c1-4-7-9-12-17-25-21(23)19-15-10-11-16-20(19)22(24)26-18(13-6-3)14-8-5-2/h18-20H,4-17H2,1-3H3

InChI Key

AMWZNEHZIVHZKH-UHFFFAOYSA-N

Formula

C22H40O4

SMILES

CCCCCCOC(=O)C1CCCCC1C(=O)OC(CCC)CCCC

Molecular Weight¹

368.56

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	50.86	kJ/mol	Joback Calculated Property
logPoct/wat	5.818		Crippen Calculated Property
McVol	324.860	ml/mol	McGowan Calculated Property
Inp	[2385.00; 2385.00]
Inp	2385.00		NIST
Inp	2385.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, Log10 of Water solubility in mol/l 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[468.69; 1162.82]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.76400e+01
Coefficient B			2.08576e+00
Coefficient C			-1.01260e-03
Coefficient D			1.17300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	468.69	J/mol×K	273.00	Calculated Property
Cp,gas	588.71	J/mol×K	353.78	Calculated Property
Cp,gas	697.15	J/mol×K	434.56	Calculated Property
Cp,gas	794.36	J/mol×K	515.33	Calculated Property
Cp,gas	880.73	J/mol×K	596.11	Calculated Property
Cp,gas	956.62	J/mol×K	676.89	Calculated Property
Cp,gas	1022.40	J/mol×K	757.67	Calculated Property
Cp,gas	1078.45	J/mol×K	838.44	Calculated Property
Cp,gas	1125.13	J/mol×K	919.22	Calculated Property
Cp,gas	1162.82	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016924; 0.0000678]	Pa×s	[410.50; 719.45]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.38744e+01
Coefficient B			3.07580e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			410.50
Temperature range, max.			719.45
η	0.0016924	Pa×s	410.50	Calculated Property
η	0.0009493	Pa×s	444.83	Calculated Property
η	0.0005784	Pa×s	479.15	Calculated Property
η	0.0003766	Pa×s	513.48	Calculated Property
η	0.0002587	Pa×s	547.81	Calculated Property
η	0.0001858	Pa×s	582.14	Calculated Property
η	0.0001385	Pa×s	616.46	Calculated Property
η	0.0001064	Pa×s	650.79	Calculated Property
η	0.0000840	Pa×s	685.12	Calculated Property
η	0.0000678	Pa×s	719.45	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, hexyl 4-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.
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