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

InChI

InChI=1S/C32H58O4/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-22-26-35-31(33)29-24-20-21-25-30(29)32(34)36-27-28(6-3)23-8-5-2/h20-21,28-30H,4-19,22-27H2,1-3H3

InChI Key

MAXWOIQLPZZMSZ-UHFFFAOYSA-N

Formula

C32H58O4

SMILES

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

Molecular Weight¹

506.80

• 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°	77.98	kJ/mol	Joback Calculated Property
log10WS	-8.61		Relay (1.0) Calculated Property
logPoct/wat	9.353		Crippen Calculated Property
McVol	461.460	ml/mol	McGowan Calculated Property
Pc	605.47	kPa	Joback Calculated Property
Inp	[3396.00; 3396.00]
Inp	3396.00		NIST
Inp	3396.00		NIST
Tboil	699.17	K	Relay (1.0) Calculated Property
Tfus	281.42	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	[674.35; 1647.43]	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			-2.89500e+01
Coefficient B			2.97976e+00
Coefficient C			-1.54388e-03
Coefficient D			2.40500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	674.35	J/mol×K	273.00	Calculated Property
Cp,gas	842.64	J/mol×K	353.78	Calculated Property
Cp,gas	994.11	J/mol×K	434.56	Calculated Property
Cp,gas	1129.53	J/mol×K	515.33	Calculated Property
Cp,gas	1249.65	J/mol×K	596.11	Calculated Property
Cp,gas	1355.23	J/mol×K	676.89	Calculated Property
Cp,gas	1447.04	J/mol×K	757.67	Calculated Property
Cp,gas	1525.84	J/mol×K	838.44	Calculated Property
Cp,gas	1592.38	J/mol×K	919.22	Calculated Property
Cp,gas	1647.43	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003823; 0.0000150]	Pa×s	[523.96; 923.95]	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			-1.53539e+01
Coefficient B			3.92164e+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.			523.96
Temperature range, max.			923.95
η	0.0003823	Pa×s	523.96	Calculated Property
η	0.0002129	Pa×s	568.40	Calculated Property
η	0.0001291	Pa×s	612.85	Calculated Property
η	0.0000838	Pa×s	657.29	Calculated Property
η	0.0000574	Pa×s	701.73	Calculated Property
η	0.0000412	Pa×s	746.17	Calculated Property
η	0.0000306	Pa×s	790.62	Calculated Property
η	0.0000235	Pa×s	835.06	Calculated Property
η	0.0000186	Pa×s	879.50	Calculated Property
η	0.0000150	Pa×s	923.95	Calculated Property

Similar Compounds

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

Sources

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

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