Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, isobutyl 4-isopropylphenyl ester

InChI

InChI=1S/C21H30O4/c1-14(2)13-24-20(22)18-7-5-6-8-19(18)21(23)25-17-11-9-16(10-12-17)15(3)4/h9-12,14-15,18-19H,5-8,13H2,1-4H3

InChI Key

CWPWPPKICOQQGS-UHFFFAOYSA-N

Formula

C21H30O4

SMILES

CC(C)COC(=O)C1CCCCC1C(=O)Oc1ccc(C(C)C)cc1

Molecular Weight¹

346.47

• 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°	38.40	kJ/mol	Joback Calculated Property
logPoct/wat	4.721		Crippen Calculated Property
McVol	287.010	ml/mol	McGowan Calculated Property
Inp	[2427.00; 2449.00]
Inp	2427.00		NIST
Inp	2449.00		NIST
Inp	2427.00		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	[392.46; 990.20]	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			-4.80190e+01
Coefficient B			1.85828e+00
Coefficient C			-9.25560e-04
Coefficient D			1.05500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	392.46	J/mol×K	273.00	Calculated Property
Cp,gas	498.23	J/mol×K	353.78	Calculated Property
Cp,gas	593.38	J/mol×K	434.56	Calculated Property
Cp,gas	678.25	J/mol×K	515.33	Calculated Property
Cp,gas	753.17	J/mol×K	596.11	Calculated Property
Cp,gas	818.48	J/mol×K	676.89	Calculated Property
Cp,gas	874.50	J/mol×K	757.67	Calculated Property
Cp,gas	921.57	J/mol×K	838.44	Calculated Property
Cp,gas	960.03	J/mol×K	919.22	Calculated Property
Cp,gas	990.20	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014046; 0.0000663]	Pa×s	[423.17; 742.87]	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			-1.36612e+01
Coefficient B			3.00162e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			423.17
Temperature range, max.			742.87
η	0.0014046	Pa×s	423.17	Calculated Property
η	0.0008109	Pa×s	458.69	Calculated Property
η	0.0005066	Pa×s	494.21	Calculated Property
η	0.0003372	Pa×s	529.74	Calculated Property
η	0.0002362	Pa×s	565.26	Calculated Property
η	0.0001725	Pa×s	600.78	Calculated Property
η	0.0001305	Pa×s	636.30	Calculated Property
η	0.0001017	Pa×s	671.82	Calculated Property
η	0.0000813	Pa×s	707.35	Calculated Property
η	0.0000663	Pa×s	742.87	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, isobutyl 4-isopropylphenyl 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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