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

InChI

InChI=1S/C20H28O4/c1-4-13-23-19(21)17-7-5-6-8-18(17)20(22)24-16-11-9-15(10-12-16)14(2)3/h9-12,14,17-18H,4-8,13H2,1-3H3

InChI Key

FSCUPDWJGYOUJJ-UHFFFAOYSA-N

Formula

C20H28O4

SMILES

CCCOC(=O)C1CCCCC1C(=O)Oc1ccc(C(C)C)cc1

Molecular Weight¹

332.43

• 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°	39.33	kJ/mol	Joback Calculated Property
logPoct/wat	4.475		Crippen Calculated Property
McVol	272.920	ml/mol	McGowan Calculated Property
Inp	[2382.00; 2404.00]
Inp	2382.00		NIST
Inp	2404.00		NIST
Inp	2382.00		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	[371.56; 938.07]	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			-4.54280e+01
Coefficient B			1.75736e+00
Coefficient C			-8.67960e-04
Coefficient D			9.41000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	371.56	J/mol×K	273.00	Calculated Property
Cp,gas	471.82	J/mol×K	353.78	Calculated Property
Cp,gas	562.06	J/mol×K	434.56	Calculated Property
Cp,gas	642.57	J/mol×K	515.33	Calculated Property
Cp,gas	713.66	J/mol×K	596.11	Calculated Property
Cp,gas	775.61	J/mol×K	676.89	Calculated Property
Cp,gas	828.73	J/mol×K	757.67	Calculated Property
Cp,gas	873.32	J/mol×K	838.44	Calculated Property
Cp,gas	909.67	J/mol×K	919.22	Calculated Property
Cp,gas	938.07	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012973; 0.0000811]	Pa×s	[426.90; 726.43]	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			-1.33695e+01
Coefficient B			2.86964e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			426.90
Temperature range, max.			726.43
η	0.0012973	Pa×s	426.90	Calculated Property
η	0.0007978	Pa×s	460.18	Calculated Property
η	0.0005239	Pa×s	493.46	Calculated Property
η	0.0003628	Pa×s	526.74	Calculated Property
η	0.0002625	Pa×s	560.03	Calculated Property
η	0.0001969	Pa×s	593.31	Calculated Property
η	0.0001523	Pa×s	626.59	Calculated Property
η	0.0001209	Pa×s	659.87	Calculated Property
η	0.0000981	Pa×s	693.15	Calculated Property
η	0.0000811	Pa×s	726.43	Calculated Property

Similar Compounds

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