Chemical Properties of Triethylene glycol dioctanoate (CAS 106-10-5)

InChI

InChI=1S/C22H42O6/c1-3-5-7-9-11-13-21(23)27-19-17-25-15-16-26-18-20-28-22(24)14-12-10-8-6-4-2/h3-20H2,1-2H3

InChI Key

YJGHMLJGPSVSLF-UHFFFAOYSA-N

Formula

C22H42O6

SMILES

CCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCCC

Molecular Weight¹

402.57

CAS

106-10-5

Other Names

• 2,2'-ethylenedioxydiethyl dioctanoate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[535.67; 1207.55]	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			8.47080e+01
Coefficient B			1.85784e+00
Coefficient C			-7.61800e-04
Coefficient D			2.68000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	535.67	J/mol×K	273.00	Calculated Property
Cp,gas	647.81	J/mol×K	353.78	Calculated Property
Cp,gas	750.38	J/mol×K	434.56	Calculated Property
Cp,gas	843.47	J/mol×K	515.33	Calculated Property
Cp,gas	927.16	J/mol×K	596.11	Calculated Property
Cp,gas	1001.53	J/mol×K	676.89	Calculated Property
Cp,gas	1066.67	J/mol×K	757.67	Calculated Property
Cp,gas	1122.66	J/mol×K	838.44	Calculated Property
Cp,gas	1169.59	J/mol×K	919.22	Calculated Property
Cp,gas	1207.55	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004843; 0.0000326]	Pa×s	[466.82; 740.87]	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			-1.49281e+01
Coefficient B			3.40558e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			466.82
Temperature range, max.			740.87
η	0.0004843	Pa×s	466.82	Calculated Property
η	0.0003098	Pa×s	497.27	Calculated Property
η	0.0002087	Pa×s	527.72	Calculated Property
η	0.0001467	Pa×s	558.17	Calculated Property
η	0.0001070	Pa×s	588.62	Calculated Property
η	0.0000805	Pa×s	619.07	Calculated Property
η	0.0000622	Pa×s	649.52	Calculated Property
η	0.0000492	Pa×s	679.97	Calculated Property
η	0.0000397	Pa×s	710.42	Calculated Property
η	0.0000326	Pa×s	740.87	Calculated Property

Similar Compounds

Find more compounds similar to Triethylene glycol dioctanoate.

Sources

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

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