Chemical Properties of Adipic acid, 3-ethylphenyl octyl ester

InChI

InChI=1S/C22H34O4/c1-3-5-6-7-8-11-17-25-21(23)15-9-10-16-22(24)26-20-14-12-13-19(4-2)18-20/h12-14,18H,3-11,15-17H2,1-2H3

InChI Key

AXXPTGXQVZPKRB-UHFFFAOYSA-N

Formula

C22H34O4

SMILES

CCCCCCCCOC(=O)CCCCC(=O)Oc1cccc(CC)c1

Molecular Weight¹

362.51

• 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).
• 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_c : Critical 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 Volume, 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	[450.15; 1048.98]	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			1.41020e+01
Coefficient B			1.84584e+00
Coefficient C			-9.47960e-04
Coefficient D			1.37000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	450.15	J/mol×K	273.00	Calculated Property
Cp,gas	554.54	J/mol×K	353.78	Calculated Property
Cp,gas	648.45	J/mol×K	434.56	Calculated Property
Cp,gas	732.33	J/mol×K	515.33	Calculated Property
Cp,gas	806.59	J/mol×K	596.11	Calculated Property
Cp,gas	871.68	J/mol×K	676.89	Calculated Property
Cp,gas	928.04	J/mol×K	757.67	Calculated Property
Cp,gas	976.08	J/mol×K	838.44	Calculated Property
Cp,gas	1016.25	J/mol×K	919.22	Calculated Property
Cp,gas	1048.98	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007199; 0.0000573]	Pa×s	[461.30; 733.74]	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			-1.40509e+01
Coefficient B			3.14356e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			461.30
Temperature range, max.			733.74
η	0.0007199	Pa×s	461.30	Calculated Property
η	0.0004732	Pa×s	491.57	Calculated Property
η	0.0003265	Pa×s	521.84	Calculated Property
η	0.0002347	Pa×s	552.11	Calculated Property
η	0.0001746	Pa×s	582.39	Calculated Property
η	0.0001337	Pa×s	612.66	Calculated Property
η	0.0001050	Pa×s	642.93	Calculated Property
η	0.0000843	Pa×s	673.20	Calculated Property
η	0.0000689	Pa×s	703.47	Calculated Property
η	0.0000573	Pa×s	733.74	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, 3-ethylphenyl octyl ester.

Sources

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

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