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

InChI

InChI=1S/C19H26O6/c1-4-12-24-18(20)13-8-5-6-9-14(13)19(21)25-17-15(22-2)10-7-11-16(17)23-3/h7,10-11,13-14H,4-6,8-9,12H2,1-3H3

InChI Key

FDBADGFNRJVGGQ-UHFFFAOYSA-N

Formula

C19H26O6

SMILES

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

Molecular Weight¹

350.41

• 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

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	[384.02; 919.90]	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			2.24620e+01
Coefficient B			1.47056e+00
Coefficient C			-5.21320e-04
Coefficient D			-5.18000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	384.02	J/mol×K	273.00	Calculated Property
Cp,gas	475.17	J/mol×K	353.78	Calculated Property
Cp,gas	558.81	J/mol×K	434.56	Calculated Property
Cp,gas	634.76	J/mol×K	515.33	Calculated Property
Cp,gas	702.86	J/mol×K	596.11	Calculated Property
Cp,gas	762.95	J/mol×K	676.89	Calculated Property
Cp,gas	814.86	J/mol×K	757.67	Calculated Property
Cp,gas	858.43	J/mol×K	838.44	Calculated Property
Cp,gas	893.50	J/mol×K	919.22	Calculated Property
Cp,gas	919.90	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004752; 0.0000599]	Pa×s	[487.61; 744.01]	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			-1.36619e+01
Coefficient B			2.93058e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			487.61
Temperature range, max.			744.01
η	0.0004752	Pa×s	487.61	Calculated Property
η	0.0003410	Pa×s	516.10	Calculated Property
η	0.0002534	Pa×s	544.59	Calculated Property
η	0.0001939	Pa×s	573.08	Calculated Property
η	0.0001522	Pa×s	601.57	Calculated Property
η	0.0001221	Pa×s	630.05	Calculated Property
η	0.0000999	Pa×s	658.54	Calculated Property
η	0.0000830	Pa×s	687.03	Calculated Property
η	0.0000701	Pa×s	715.52	Calculated Property
η	0.0000599	Pa×s	744.01	Calculated Property

Similar Compounds

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