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

InChI

InChI=1S/C15H26O4/c1-10(2)9-18-14(16)12-7-5-6-8-13(12)15(17)19-11(3)4/h10-13H,5-9H2,1-4H3

InChI Key

JLXUJVDYOFHHMU-UHFFFAOYSA-N

Formula

C15H26O4

SMILES

CC(C)COC(=O)C1CCCCC1C(=O)OC(C)C

Molecular Weight¹

270.36

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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	[319.88; 802.22]	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			-2.29590e+01
Coefficient B			1.42668e+00
Coefficient C			-6.35000e-04
Coefficient D			3.35000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	319.88	J/mol×K	273.00	Calculated Property
Cp,gas	403.78	J/mol×K	353.78	Calculated Property
Cp,gas	479.85	J/mol×K	434.56	Calculated Property
Cp,gas	548.21	J/mol×K	515.33	Calculated Property
Cp,gas	608.95	J/mol×K	596.11	Calculated Property
Cp,gas	662.19	J/mol×K	676.89	Calculated Property
Cp,gas	708.03	J/mol×K	757.67	Calculated Property
Cp,gas	746.58	J/mol×K	838.44	Calculated Property
Cp,gas	777.94	J/mol×K	919.22	Calculated Property
Cp,gas	802.22	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0056688; 0.0001352]	Pa×s	[316.61; 611.17]	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			-1.29252e+01
Coefficient B			2.45450e+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.			316.61
Temperature range, max.			611.17
η	0.0056688	Pa×s	316.61	Calculated Property
η	0.0027420	Pa×s	349.34	Calculated Property
η	0.0015020	Pa×s	382.07	Calculated Property
η	0.0009048	Pa×s	414.80	Calculated Property
η	0.0005869	Pa×s	447.52	Calculated Property
η	0.0004039	Pa×s	480.25	Calculated Property
η	0.0002915	Pa×s	512.98	Calculated Property
η	0.0002188	Pa×s	545.71	Calculated Property
η	0.0001696	Pa×s	578.44	Calculated Property
η	0.0001352	Pa×s	611.17	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, isobutyl isopropyl 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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