Chemical Properties of Adipic acid, 3-oxobut-2-yl tetradecyl ester

InChI

InChI=1S/C24H44O5/c1-4-5-6-7-8-9-10-11-12-13-14-17-20-28-23(26)18-15-16-19-24(27)29-22(3)21(2)25/h22H,4-20H2,1-3H3

InChI Key

SQIDMGKABCMSCM-UHFFFAOYSA-N

Formula

C24H44O5

SMILES

CCCCCCCCCCCCCCOC(=O)CCCCC(=O)OC(C)C(C)=O

Molecular Weight¹

412.60

• 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).
• 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 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	[547.90; 1263.29]	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			3.75670e+01
Coefficient B			2.15216e+00
Coefficient C			-1.07710e-03
Coefficient D			1.50660e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	547.90	J/mol×K	273.00	Calculated Property
Cp,gas	670.82	J/mol×K	353.78	Calculated Property
Cp,gas	781.77	J/mol×K	434.56	Calculated Property
Cp,gas	881.22	J/mol×K	515.33	Calculated Property
Cp,gas	969.66	J/mol×K	596.11	Calculated Property
Cp,gas	1047.56	J/mol×K	676.89	Calculated Property
Cp,gas	1115.40	J/mol×K	757.67	Calculated Property
Cp,gas	1173.65	J/mol×K	838.44	Calculated Property
Cp,gas	1222.78	J/mol×K	919.22	Calculated Property
Cp,gas	1263.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007162; 0.0000370]	Pa×s	[479.83; 788.20]	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			-1.48145e+01
Coefficient B			3.63373e+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.			479.83
Temperature range, max.			788.20
η	0.0007162	Pa×s	479.83	Calculated Property
η	0.0004324	Pa×s	514.09	Calculated Property
η	0.0002780	Pa×s	548.36	Calculated Property
η	0.0001883	Pa×s	582.62	Calculated Property
η	0.0001332	Pa×s	616.88	Calculated Property
η	0.0000977	Pa×s	651.15	Calculated Property
η	0.0000739	Pa×s	685.41	Calculated Property
η	0.0000574	Pa×s	719.67	Calculated Property
η	0.0000456	Pa×s	753.93	Calculated Property
η	0.0000370	Pa×s	788.20	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, 3-oxobut-2-yl tetradecyl ester.

Sources

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

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