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

InChI

InChI=1S/C16H26O4/c1-4-12(5-2)11-20-16(18)14-10-8-7-9-13(14)15(17)19-6-3/h7-8,12-14H,4-6,9-11H2,1-3H3

InChI Key

UNRCMOQMXSQDKE-UHFFFAOYSA-N

Formula

C16H26O4

SMILES

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

Molecular Weight¹

282.38

• 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°	36.54	kJ/mol	Joback Calculated Property
logPoct/wat	3.111		Crippen Calculated Property
McVol	236.020	ml/mol	McGowan Calculated Property
Inp	[1866.00; 1866.00]
Inp	1866.00		NIST
Inp	1866.00		NIST
Tboil	578.38	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	[334.93; 821.97]	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			-1.44060e+01
Coefficient B			1.45976e+00
Coefficient C			-6.73480e-04
Coefficient D			5.01000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	334.93	J/mol×K	273.00	Calculated Property
Cp,gas	419.95	J/mol×K	353.78	Calculated Property
Cp,gas	496.87	J/mol×K	434.56	Calculated Property
Cp,gas	565.86	J/mol×K	515.33	Calculated Property
Cp,gas	627.07	J/mol×K	596.11	Calculated Property
Cp,gas	680.65	J/mol×K	676.89	Calculated Property
Cp,gas	726.78	J/mol×K	757.67	Calculated Property
Cp,gas	765.60	J/mol×K	838.44	Calculated Property
Cp,gas	797.28	J/mol×K	919.22	Calculated Property
Cp,gas	821.97	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0032575; 0.0001384]	Pa×s	[343.64; 624.17]	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			-1.27547e+01
Coefficient B			2.41508e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			343.64
Temperature range, max.			624.17
η	0.0032575	Pa×s	343.64	Calculated Property
η	0.0018157	Pa×s	374.81	Calculated Property
η	0.0011072	Pa×s	405.98	Calculated Property
η	0.0007244	Pa×s	437.15	Calculated Property
η	0.0005015	Pa×s	468.32	Calculated Property
η	0.0003635	Pa×s	499.49	Calculated Property
η	0.0002737	Pa×s	530.66	Calculated Property
η	0.0002126	Pa×s	561.83	Calculated Property
η	0.0001696	Pa×s	593.00	Calculated Property
η	0.0001384	Pa×s	624.17	Calculated Property

Similar Compounds

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