Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, bis(2-ethylhexyl) ester (CAS 84-71-9)

InChI

InChI=1S/C24H44O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h19-22H,5-18H2,1-4H3

InChI Key

DIMOQAGSNHTROK-UHFFFAOYSA-N

Formula

C24H44O4

SMILES

CCCCC(CC)COC(=O)C1CCCCC1C(=O)OCC(CC)CCCC

Molecular Weight¹

396.60

CAS

84-71-9

Other Names

• 1,2-Cyclohexanedicarboxylic acid, di-(2-ethylhexyl) ester
• bis(2-ethylhexyl) cyclohexane-1,2-dicarboxylate

• 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).
• 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

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	[510.80; 1266.54]	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			-3.11400e+01
Coefficient B			2.28168e+00
Coefficient C			-1.12460e-03
Coefficient D			1.40600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	510.80	J/mol×K	273.00	Calculated Property
Cp,gas	641.54	J/mol×K	353.78	Calculated Property
Cp,gas	759.55	J/mol×K	434.56	Calculated Property
Cp,gas	865.27	J/mol×K	515.33	Calculated Property
Cp,gas	959.15	J/mol×K	596.11	Calculated Property
Cp,gas	1041.64	J/mol×K	676.89	Calculated Property
Cp,gas	1113.18	J/mol×K	757.67	Calculated Property
Cp,gas	1174.21	J/mol×K	838.44	Calculated Property
Cp,gas	1225.18	J/mol×K	919.22	Calculated Property
Cp,gas	1266.54	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016053; 0.0000472]	Pa×s	[418.04; 755.20]	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			-1.43330e+01
Coefficient B			3.30194e+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.			418.04
Temperature range, max.			755.20
η	0.0016053	Pa×s	418.04	Calculated Property
η	0.0008384	Pa×s	455.50	Calculated Property
η	0.0004833	Pa×s	492.97	Calculated Property
η	0.0003011	Pa×s	530.43	Calculated Property
η	0.0001997	Pa×s	567.89	Calculated Property
η	0.0001394	Pa×s	605.35	Calculated Property
η	0.0001014	Pa×s	642.82	Calculated Property
η	0.0000764	Pa×s	680.28	Calculated Property
η	0.0000593	Pa×s	717.74	Calculated Property
η	0.0000472	Pa×s	755.20	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, bis(2-ethylhexyl) ester.

Sources

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

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