Chemical Properties of Sebacic acid, 4-formylphenyl pentyl ester

InChI

InChI=1S/C22H32O5/c1-2-3-10-17-26-21(24)11-8-6-4-5-7-9-12-22(25)27-20-15-13-19(18-23)14-16-20/h13-16,18H,2-12,17H2,1H3

InChI Key

RIENACZDKJXMQE-UHFFFAOYSA-N

Formula

C22H32O5

SMILES

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

Molecular Weight¹

376.49

• 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	[455.07; 1039.76]	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			2.55020e+01
Coefficient B			1.82032e+00
Coefficient C			-9.40960e-04
Coefficient D			1.34900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	455.07	J/mol×K	273.00	Calculated Property
Cp,gas	557.69	J/mol×K	353.78	Calculated Property
Cp,gas	649.91	J/mol×K	434.56	Calculated Property
Cp,gas	732.15	J/mol×K	515.33	Calculated Property
Cp,gas	804.82	J/mol×K	596.11	Calculated Property
Cp,gas	868.37	J/mol×K	676.89	Calculated Property
Cp,gas	923.21	J/mol×K	757.67	Calculated Property
Cp,gas	969.77	J/mol×K	838.44	Calculated Property
Cp,gas	1008.48	J/mol×K	919.22	Calculated Property
Cp,gas	1039.76	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006246; 0.0000618]	Pa×s	[503.30; 773.07]	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			-1.40071e+01
Coefficient B			3.33619e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			503.30
Temperature range, max.			773.07
η	0.0006246	Pa×s	503.30	Calculated Property
η	0.0004303	Pa×s	533.27	Calculated Property
η	0.0003084	Pa×s	563.25	Calculated Property
η	0.0002287	Pa×s	593.22	Calculated Property
η	0.0001745	Pa×s	623.20	Calculated Property
η	0.0001365	Pa×s	653.17	Calculated Property
η	0.0001091	Pa×s	683.15	Calculated Property
η	0.0000888	Pa×s	713.12	Calculated Property
η	0.0000736	Pa×s	743.09	Calculated Property
η	0.0000618	Pa×s	773.07	Calculated Property

Similar Compounds

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

Sources

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

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