Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 2,6-dimethoxyphenyl isobutyl ester

InChI

InChI=1S/C20H28O6/c1-13(2)12-25-19(21)14-8-5-6-9-15(14)20(22)26-18-16(23-3)10-7-11-17(18)24-4/h7,10-11,13-15H,5-6,8-9,12H2,1-4H3

InChI Key

PIRZCCPJHXBJOA-UHFFFAOYSA-N

Formula

C20H28O6

SMILES

COc1cccc(OC)c1OC(=O)C1CCCCC1C(=O)OCC(C)C

Molecular Weight¹

364.44

• 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°	41.32	kJ/mol	Joback Calculated Property
logPoct/wat	3.615		Crippen Calculated Property
McVol	284.660	ml/mol	McGowan Calculated Property
Inp	[2558.00; 2558.00]
Inp	2558.00		NIST
Inp	2558.00		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	[404.92; 972.03]	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			1.98710e+01
Coefficient B			1.57148e+00
Coefficient C			-5.78920e-04
Coefficient D			-4.04000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	404.92	J/mol×K	273.00	Calculated Property
Cp,gas	501.58	J/mol×K	353.78	Calculated Property
Cp,gas	590.13	J/mol×K	434.56	Calculated Property
Cp,gas	670.44	J/mol×K	515.33	Calculated Property
Cp,gas	742.37	J/mol×K	596.11	Calculated Property
Cp,gas	805.81	J/mol×K	676.89	Calculated Property
Cp,gas	860.62	J/mol×K	757.67	Calculated Property
Cp,gas	906.68	J/mol×K	838.44	Calculated Property
Cp,gas	943.86	J/mol×K	919.22	Calculated Property
Cp,gas	972.03	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004874; 0.0000487]	Pa×s	[483.88; 760.73]	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			-1.39556e+01
Coefficient B			3.06256e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			483.88
Temperature range, max.			760.73
η	0.0004874	Pa×s	483.88	Calculated Property
η	0.0003339	Pa×s	514.64	Calculated Property
η	0.0002387	Pa×s	545.40	Calculated Property
η	0.0001768	Pa×s	576.16	Calculated Property
η	0.0001351	Pa×s	606.93	Calculated Property
η	0.0001059	Pa×s	637.69	Calculated Property
η	0.0000849	Pa×s	668.45	Calculated Property
η	0.0000694	Pa×s	699.21	Calculated Property
η	0.0000577	Pa×s	729.97	Calculated Property
η	0.0000487	Pa×s	760.73	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2,6-dimethoxyphenyl 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.
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