Chemical Properties of Sebacic acid, 4-formylphenyl hexyl ester

InChI

InChI=1S/C23H34O5/c1-2-3-4-11-18-27-22(25)12-9-7-5-6-8-10-13-23(26)28-21-16-14-20(19-24)15-17-21/h14-17,19H,2-13,18H2,1H3

InChI Key

KTHPBQGJSBLFMD-UHFFFAOYSA-N

Formula

C23H34O5

SMILES

CCCCCCOC(=O)CCCCCCCCC(=O)Oc1ccc(C=O)cc1

Molecular Weight¹

390.51

• 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	[476.28; 1091.35]	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			2.45930e+01
Coefficient B			1.91532e+00
Coefficient C			-9.95360e-04
Coefficient D			1.46800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	476.28	J/mol×K	273.00	Calculated Property
Cp,gas	584.11	J/mol×K	353.78	Calculated Property
Cp,gas	680.99	J/mol×K	434.56	Calculated Property
Cp,gas	767.38	J/mol×K	515.33	Calculated Property
Cp,gas	843.73	J/mol×K	596.11	Calculated Property
Cp,gas	910.53	J/mol×K	676.89	Calculated Property
Cp,gas	968.22	J/mol×K	757.67	Calculated Property
Cp,gas	1017.28	J/mol×K	838.44	Calculated Property
Cp,gas	1058.17	J/mol×K	919.22	Calculated Property
Cp,gas	1091.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005514; 0.0000536]	Pa×s	[514.57; 791.38]	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			-1.41695e+01
Coefficient B			3.43035e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			514.57
Temperature range, max.			791.38
η	0.0005514	Pa×s	514.57	Calculated Property
η	0.0003786	Pa×s	545.33	Calculated Property
η	0.0002706	Pa×s	576.08	Calculated Property
η	0.0002001	Pa×s	606.84	Calculated Property
η	0.0001523	Pa×s	637.60	Calculated Property
η	0.0001189	Pa×s	668.35	Calculated Property
η	0.0000949	Pa×s	699.11	Calculated Property
η	0.0000772	Pa×s	729.87	Calculated Property
η	0.0000638	Pa×s	760.62	Calculated Property
η	0.0000536	Pa×s	791.38	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 4-formylphenyl hexyl ester.

Sources

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

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