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

InChI

InChI=1S/C19H26O4/c1-4-22-18(20)16-7-5-6-8-17(16)19(21)23-15-11-9-14(10-12-15)13(2)3/h9-13,16-17H,4-8H2,1-3H3

InChI Key

BCBDQFQRRMJRKG-UHFFFAOYSA-N

Formula

C19H26O4

SMILES

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

Molecular Weight¹

318.41

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	36.74	kJ/mol	Joback Calculated Property
logPoct/wat	4.085		Crippen Calculated Property
McVol	258.830	ml/mol	McGowan Calculated Property
Inp	[2293.00; 2322.00]
Inp	2293.00		NIST
Inp	2322.00		NIST
Tboil	626.32	K	Relay (1.0) Calculated Property

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	[350.34; 886.48]	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			-4.45190e+01
Coefficient B			1.66236e+00
Coefficient C			-8.13560e-04
Coefficient D			8.22000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	350.34	J/mol×K	273.00	Calculated Property
Cp,gas	445.40	J/mol×K	353.78	Calculated Property
Cp,gas	530.98	J/mol×K	434.56	Calculated Property
Cp,gas	607.34	J/mol×K	515.33	Calculated Property
Cp,gas	674.75	J/mol×K	596.11	Calculated Property
Cp,gas	733.45	J/mol×K	676.89	Calculated Property
Cp,gas	783.72	J/mol×K	757.67	Calculated Property
Cp,gas	825.80	J/mol×K	838.44	Calculated Property
Cp,gas	859.97	J/mol×K	919.22	Calculated Property
Cp,gas	886.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014504; 0.0000900]	Pa×s	[415.63; 712.07]	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			-1.32137e+01
Coefficient B			2.77548e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			415.63
Temperature range, max.			712.07
η	0.0014504	Pa×s	415.63	Calculated Property
η	0.0008883	Pa×s	448.57	Calculated Property
η	0.0005817	Pa×s	481.51	Calculated Property
η	0.0004022	Pa×s	514.44	Calculated Property
η	0.0002907	Pa×s	547.38	Calculated Property
η	0.0002180	Pa×s	580.32	Calculated Property
η	0.0001686	Pa×s	613.26	Calculated Property
η	0.0001339	Pa×s	646.19	Calculated Property
η	0.0001087	Pa×s	679.13	Calculated Property
η	0.0000900	Pa×s	712.07	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, ethyl 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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