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

InChI

InChI=1S/C15H26O5/c1-11(2)10-20-15(17)13-7-5-4-6-12(13)14(16)19-9-8-18-3/h11-13H,4-10H2,1-3H3

InChI Key

RJQDUFPAHZVVGG-UHFFFAOYSA-N

Formula

C15H26O5

SMILES

COCCOC(=O)C1CCCCC1C(=O)OCC(C)C

Molecular Weight¹

286.37

• 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	[335.60; 820.18]	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			4.22300e+00
Coefficient B			1.35756e+00
Coefficient C			-5.20800e-04
Coefficient D			-2.08000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	335.60	J/mol×K	273.00	Calculated Property
Cp,gas	418.39	J/mol×K	353.78	Calculated Property
Cp,gas	494.10	J/mol×K	434.56	Calculated Property
Cp,gas	562.66	J/mol×K	515.33	Calculated Property
Cp,gas	624.01	J/mol×K	596.11	Calculated Property
Cp,gas	678.07	J/mol×K	676.89	Calculated Property
Cp,gas	724.78	J/mol×K	757.67	Calculated Property
Cp,gas	764.09	J/mol×K	838.44	Calculated Property
Cp,gas	795.91	J/mol×K	919.22	Calculated Property
Cp,gas	820.18	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0026194; 0.0001172]	Pa×s	[353.84; 624.05]	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			-1.31197e+01
Coefficient B			2.53877e+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.			353.84
Temperature range, max.			624.05
η	0.0026194	Pa×s	353.84	Calculated Property
η	0.0014945	Pa×s	383.86	Calculated Property
η	0.0009250	Pa×s	413.89	Calculated Property
η	0.0006109	Pa×s	443.91	Calculated Property
η	0.0004252	Pa×s	473.93	Calculated Property
η	0.0003090	Pa×s	503.96	Calculated Property
η	0.0002328	Pa×s	533.98	Calculated Property
η	0.0001808	Pa×s	564.00	Calculated Property
η	0.0001440	Pa×s	594.03	Calculated Property
η	0.0001172	Pa×s	624.05	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, isobutyl 2-methoxyethyl 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.