Chemical Properties of cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-ethylbutyl propyl ester

InChI

InChI=1S/C17H28O4/c1-4-11-20-16(18)14-9-7-8-10-15(14)17(19)21-12-13(5-2)6-3/h7-8,13-15H,4-6,9-12H2,1-3H3

InChI Key

JSOQUSBINRGBFO-UHFFFAOYSA-N

Formula

C17H28O4

SMILES

CCCOC(=O)C1CC=CCC1C(=O)OCC(CC)CC

Molecular Weight¹

296.41

• 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°	39.13	kJ/mol	Joback Calculated Property
logPoct/wat	3.501		Crippen Calculated Property
McVol	250.110	ml/mol	McGowan Calculated Property
Inp	[1953.00; 1953.00]
Inp	1953.00		NIST
Inp	1953.00		NIST
Tboil	592.38	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	[356.15; 873.56]	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			-1.53150e+01
Coefficient B			1.55476e+00
Coefficient C			-7.27880e-04
Coefficient D			6.20000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	356.15	J/mol×K	273.00	Calculated Property
Cp,gas	446.37	J/mol×K	353.78	Calculated Property
Cp,gas	527.95	J/mol×K	434.56	Calculated Property
Cp,gas	601.09	J/mol×K	515.33	Calculated Property
Cp,gas	665.98	J/mol×K	596.11	Calculated Property
Cp,gas	722.81	J/mol×K	676.89	Calculated Property
Cp,gas	771.80	J/mol×K	757.67	Calculated Property
Cp,gas	813.12	J/mol×K	838.44	Calculated Property
Cp,gas	846.97	J/mol×K	919.22	Calculated Property
Cp,gas	873.56	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0029229; 0.0001260]	Pa×s	[354.91; 639.06]	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			-1.29053e+01
Coefficient B			2.50924e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			354.91
Temperature range, max.			639.06
η	0.0029229	Pa×s	354.91	Calculated Property
η	0.0016405	Pa×s	386.48	Calculated Property
η	0.0010047	Pa×s	418.06	Calculated Property
η	0.0006591	Pa×s	449.63	Calculated Property
η	0.0004570	Pa×s	481.20	Calculated Property
η	0.0003315	Pa×s	512.77	Calculated Property
η	0.0002496	Pa×s	544.35	Calculated Property
η	0.0001939	Pa×s	575.92	Calculated Property
η	0.0001546	Pa×s	607.49	Calculated Property
η	0.0001260	Pa×s	639.06	Calculated Property

Similar Compounds

Find more compounds similar to cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-ethylbutyl 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

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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