Chemical Properties of cis-Cyclohex-4-en-1,2-dicarboxylic acid, di(2-ethylbutyl) ester

InChI

InChI=1S/C20H34O4/c1-5-15(6-2)13-23-19(21)17-11-9-10-12-18(17)20(22)24-14-16(7-3)8-4/h9-10,15-18H,5-8,11-14H2,1-4H3

InChI Key

OPEOWTAVQPVHHW-UHFFFAOYSA-N

Formula

C20H34O4

SMILES

CCC(CC)COC(=O)C1CC=CCC1C(=O)OCC(CC)CC

Molecular Weight¹

338.48

• 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°	43.38	kJ/mol	Joback Calculated Property
logPoct/wat	4.528		Crippen Calculated Property
McVol	292.380	ml/mol	McGowan Calculated Property
Inp	[2194.00; 2194.00]
Inp	2194.00		NIST
Inp	2194.00		NIST
Tboil	616.08	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	[419.47; 1028.88]	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			-1.97240e+01
Coefficient B			1.84568e+00
Coefficient C			-8.94280e-04
Coefficient D			9.72000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	419.47	J/mol×K	273.00	Calculated Property
Cp,gas	525.61	J/mol×K	353.78	Calculated Property
Cp,gas	621.43	J/mol×K	434.56	Calculated Property
Cp,gas	707.23	J/mol×K	515.33	Calculated Property
Cp,gas	783.31	J/mol×K	596.11	Calculated Property
Cp,gas	850.00	J/mol×K	676.89	Calculated Property
Cp,gas	907.59	J/mol×K	757.67	Calculated Property
Cp,gas	956.40	J/mol×K	838.44	Calculated Property
Cp,gas	996.72	J/mol×K	919.22	Calculated Property
Cp,gas	1028.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0026526; 0.0000840]	Pa×s	[373.72; 686.99]	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			-1.35035e+01
Coefficient B			2.82954e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			373.72
Temperature range, max.			686.99
η	0.0026526	Pa×s	373.72	Calculated Property
η	0.0013916	Pa×s	408.53	Calculated Property
η	0.0008079	Pa×s	443.34	Calculated Property
η	0.0005076	Pa×s	478.14	Calculated Property
η	0.0003397	Pa×s	512.95	Calculated Property
η	0.0002393	Pa×s	547.76	Calculated Property
η	0.0001757	Pa×s	582.57	Calculated Property
η	0.0001336	Pa×s	617.37	Calculated Property
η	0.0001046	Pa×s	652.18	Calculated Property
η	0.0000840	Pa×s	686.99	Calculated Property

Similar Compounds

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

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.
These property values are available through the Cheméo API. A free account gives you an access key.