Chemical Properties of Adipic acid, dodecyl 2-ethylphenyl ester

InChI

InChI=1S/C26H42O4/c1-3-5-6-7-8-9-10-11-12-17-22-29-25(27)20-15-16-21-26(28)30-24-19-14-13-18-23(24)4-2/h13-14,18-19H,3-12,15-17,20-22H2,1-2H3

InChI Key

AYMSBNHNVBDVFT-UHFFFAOYSA-N

Formula

C26H42O4

SMILES

CCCCCCCCCCCCOC(=O)CCCCC(=O)Oc1ccccc1CC

Molecular Weight¹

418.61

• 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).
• 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).
• 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, 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	[535.01; 1255.35]	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			1.04660e+01
Coefficient B			2.22584e+00
Coefficient C			-1.16556e-03
Coefficient D			1.84600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	535.01	J/mol×K	273.00	Calculated Property
Cp,gas	660.21	J/mol×K	353.78	Calculated Property
Cp,gas	772.76	J/mol×K	434.56	Calculated Property
Cp,gas	873.24	J/mol×K	515.33	Calculated Property
Cp,gas	962.24	J/mol×K	596.11	Calculated Property
Cp,gas	1040.33	J/mol×K	676.89	Calculated Property
Cp,gas	1108.10	J/mol×K	757.67	Calculated Property
Cp,gas	1166.14	J/mol×K	838.44	Calculated Property
Cp,gas	1215.03	J/mol×K	919.22	Calculated Property
Cp,gas	1255.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004302; 0.0000321]	Pa×s	[506.38; 807.82]	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			-1.47030e+01
Coefficient B			3.52020e+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.			506.38
Temperature range, max.			807.82
η	0.0004302	Pa×s	506.38	Calculated Property
η	0.0002795	Pa×s	539.87	Calculated Property
η	0.0001909	Pa×s	573.37	Calculated Property
η	0.0001361	Pa×s	606.86	Calculated Property
η	0.0001005	Pa×s	640.35	Calculated Property
η	0.0000764	Pa×s	673.85	Calculated Property
η	0.0000597	Pa×s	707.34	Calculated Property
η	0.0000477	Pa×s	740.83	Calculated Property
η	0.0000388	Pa×s	774.33	Calculated Property
η	0.0000321	Pa×s	807.82	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, dodecyl 2-ethylphenyl ester.

Sources

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

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