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

InChI

InChI=1S/C20H28O6/c1-4-5-13-25-19(21)14-9-6-7-10-15(14)20(22)26-18-16(23-2)11-8-12-17(18)24-3/h8,11-12,14-15H,4-7,9-10,13H2,1-3H3

InChI Key

LKKZWDBWXMCOIG-UHFFFAOYSA-N

Formula

C20H28O6

SMILES

CCCCOC(=O)C1CCCCC1C(=O)Oc1c(OC)cccc1OC

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°	44.84	kJ/mol	Joback Calculated Property
logPoct/wat	3.759		Crippen Calculated Property
McVol	284.660	ml/mol	McGowan Calculated Property
Inp	[2602.00; 2602.00]
Inp	2602.00		NIST
Inp	2602.00		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	[405.23; 971.49]	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			2.15530e+01
Coefficient B			1.56556e+00
Coefficient C			-5.75720e-04
Coefficient D			-3.99000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	405.23	J/mol×K	273.00	Calculated Property
Cp,gas	501.59	J/mol×K	353.78	Calculated Property
Cp,gas	589.88	J/mol×K	434.56	Calculated Property
Cp,gas	669.98	J/mol×K	515.33	Calculated Property
Cp,gas	741.77	J/mol×K	596.11	Calculated Property
Cp,gas	805.11	J/mol×K	676.89	Calculated Property
Cp,gas	859.87	J/mol×K	757.67	Calculated Property
Cp,gas	905.95	J/mol×K	838.44	Calculated Property
Cp,gas	943.19	J/mol×K	919.22	Calculated Property
Cp,gas	971.49	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004271; 0.0000534]	Pa×s	[498.88; 759.38]	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			-1.38216e+01
Coefficient B			3.02474e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			498.88
Temperature range, max.			759.38
η	0.0004271	Pa×s	498.88	Calculated Property
η	0.0003063	Pa×s	527.82	Calculated Property
η	0.0002274	Pa×s	556.77	Calculated Property
η	0.0001738	Pa×s	585.71	Calculated Property
η	0.0001363	Pa×s	614.66	Calculated Property
η	0.0001092	Pa×s	643.60	Calculated Property
η	0.0000892	Pa×s	672.55	Calculated Property
η	0.0000741	Pa×s	701.49	Calculated Property
η	0.0000625	Pa×s	730.43	Calculated Property
η	0.0000534	Pa×s	759.38	Calculated Property

Similar Compounds

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

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