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

InChI

InChI=1S/C26H46O4/c1-4-7-9-10-11-12-13-16-20-29-25(27)23-18-14-15-19-24(23)26(28)30-21-22(6-3)17-8-5-2/h14-15,22-24H,4-13,16-21H2,1-3H3

InChI Key

CADIHWBXVDTATO-UHFFFAOYSA-N

Formula

C26H46O4

SMILES

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

Molecular Weight¹

422.65

• 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°	62.44	kJ/mol	Joback Calculated Property
log10WS	-6.76		Relay (1.0) Calculated Property
logPoct/wat	7.012		Crippen Calculated Property
McVol	376.920	ml/mol	McGowan Calculated Property
Pc	821.95	kPa	Joback Calculated Property
Inp	[2791.00; 2791.00]
Inp	2791.00		NIST
Inp	2791.00		NIST
Tboil	659.50	K	Relay (1.0) Calculated Property
Tfus	264.92	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	[547.07; 1337.88]	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			-2.34960e+01
Coefficient B			2.40976e+00
Coefficient C			-1.21748e-03
Coefficient D			1.69100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	547.07	J/mol×K	273.00	Calculated Property
Cp,gas	684.13	J/mol×K	353.78	Calculated Property
Cp,gas	807.65	J/mol×K	434.56	Calculated Property
Cp,gas	918.15	J/mol×K	515.33	Calculated Property
Cp,gas	1016.18	J/mol×K	596.11	Calculated Property
Cp,gas	1102.26	J/mol×K	676.89	Calculated Property
Cp,gas	1176.94	J/mol×K	757.67	Calculated Property
Cp,gas	1240.75	J/mol×K	838.44	Calculated Property
Cp,gas	1294.22	J/mol×K	919.22	Calculated Property
Cp,gas	1337.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009249; 0.0000409]	Pa×s	[456.34; 792.31]	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			-1.43415e+01
Coefficient B			3.35668e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			456.34
Temperature range, max.			792.31
η	0.0009249	Pa×s	456.34	Calculated Property
η	0.0005303	Pa×s	493.67	Calculated Property
η	0.0003288	Pa×s	531.00	Calculated Property
η	0.0002171	Pa×s	568.33	Calculated Property
η	0.0001508	Pa×s	605.66	Calculated Property
η	0.0001093	Pa×s	642.99	Calculated Property
η	0.0000821	Pa×s	680.32	Calculated Property
η	0.0000635	Pa×s	717.65	Calculated Property
η	0.0000504	Pa×s	754.98	Calculated Property
η	0.0000409	Pa×s	792.31	Calculated Property

Similar Compounds

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

Sources

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

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