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

InChI

InChI=1S/C18H30O4/c1-4-7-10-14(5-2)13-22-18(20)16-12-9-8-11-15(16)17(19)21-6-3/h8-9,14-16H,4-7,10-13H2,1-3H3

InChI Key

TXRFBLAVPJLGFA-UHFFFAOYSA-N

Formula

C18H30O4

SMILES

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

Molecular Weight¹

310.43

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	41.72	kJ/mol	Joback Calculated Property
log10WS	-4.45		Relay (1.0) Calculated Property
logPoct/wat	3.891		Crippen Calculated Property
McVol	264.200	ml/mol	McGowan Calculated Property
Pc	1351.64	kPa	Joback Calculated Property
Inp	[2038.00; 2038.00]
Inp	2038.00		NIST
Inp	2038.00		NIST
Tboil	597.88	K	Relay (1.0) Calculated Property
Tfus	251.87	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[377.36; 925.16]	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			-1.62240e+01
Coefficient B			1.64976e+00
Coefficient C			-7.82280e-04
Coefficient D			7.39000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	377.36	J/mol×K	273.00	Calculated Property
Cp,gas	472.79	J/mol×K	353.78	Calculated Property
Cp,gas	559.03	J/mol×K	434.56	Calculated Property
Cp,gas	636.32	J/mol×K	515.33	Calculated Property
Cp,gas	704.89	J/mol×K	596.11	Calculated Property
Cp,gas	764.98	J/mol×K	676.89	Calculated Property
Cp,gas	816.81	J/mol×K	757.67	Calculated Property
Cp,gas	860.63	J/mol×K	838.44	Calculated Property
Cp,gas	896.67	J/mol×K	919.22	Calculated Property
Cp,gas	925.16	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0026100; 0.0001140]	Pa×s	[366.18; 654.30]	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			-1.30580e+01
Coefficient B			2.60340e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			366.18
Temperature range, max.			654.30
η	0.0026100	Pa×s	366.18	Calculated Property
η	0.0014737	Pa×s	398.19	Calculated Property
η	0.0009060	Pa×s	430.21	Calculated Property
η	0.0005958	Pa×s	462.22	Calculated Property
η	0.0004137	Pa×s	494.23	Calculated Property
η	0.0003003	Pa×s	526.24	Calculated Property
η	0.0002261	Pa×s	558.26	Calculated Property
η	0.0001756	Pa×s	590.27	Calculated Property
η	0.0001399	Pa×s	622.28	Calculated Property
η	0.0001140	Pa×s	654.30	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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