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

InChI

InChI=1S/C23H40O4/c1-4-7-9-10-13-17-26-22(24)20-15-11-12-16-21(20)23(25)27-18-19(6-3)14-8-5-2/h11-12,19-21H,4-10,13-18H2,1-3H3

InChI Key

KGDODGAESIERSU-UHFFFAOYSA-N

Formula

C23H40O4

SMILES

CCCCCCCOC(=O)C1CC=CCC1C(=O)OCC(CC)CCCC

Molecular Weight¹

380.56

• 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°	54.67	kJ/mol	Joback Calculated Property
log10WS	-5.83		Relay (1.0) Calculated Property
logPoct/wat	5.842		Crippen Calculated Property
McVol	334.650	ml/mol	McGowan Calculated Property
Pc	976.56	kPa	Joback Calculated Property
Inp	[2497.00; 2497.00]
Inp	2497.00		NIST
Inp	2497.00		NIST
Tboil	639.13	K	Relay (1.0) Calculated Property
Tfus	253.82	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	[483.43; 1183.11]	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			-2.07690e+01
Coefficient B			2.12476e+00
Coefficient C			-1.05428e-03
Coefficient D			1.33400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	483.43	J/mol×K	273.00	Calculated Property
Cp,gas	604.88	J/mol×K	353.78	Calculated Property
Cp,gas	714.42	J/mol×K	434.56	Calculated Property
Cp,gas	812.46	J/mol×K	515.33	Calculated Property
Cp,gas	899.45	J/mol×K	596.11	Calculated Property
Cp,gas	975.78	J/mol×K	676.89	Calculated Property
Cp,gas	1041.89	J/mol×K	757.67	Calculated Property
Cp,gas	1098.21	J/mol×K	838.44	Calculated Property
Cp,gas	1145.14	J/mol×K	919.22	Calculated Property
Cp,gas	1183.11	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013967; 0.0000628]	Pa×s	[422.53; 736.61]	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			-1.38493e+01
Coefficient B			3.07420e+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.			422.53
Temperature range, max.			736.61
η	0.0013967	Pa×s	422.53	Calculated Property
η	0.0008017	Pa×s	457.43	Calculated Property
η	0.0004979	Pa×s	492.33	Calculated Property
η	0.0003293	Pa×s	527.22	Calculated Property
η	0.0002293	Pa×s	562.12	Calculated Property
η	0.0001666	Pa×s	597.02	Calculated Property
η	0.0001253	Pa×s	631.92	Calculated Property
η	0.0000972	Pa×s	666.82	Calculated Property
η	0.0000773	Pa×s	701.72	Calculated Property
η	0.0000628	Pa×s	736.61	Calculated Property

Similar Compounds

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

Sources

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

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