Chemical Properties of Sebacic acid, 2-acetylphenyl heptyl ester

InChI

InChI=1S/C25H38O5/c1-3-4-5-10-15-20-29-24(27)18-11-8-6-7-9-12-19-25(28)30-23-17-14-13-16-22(23)21(2)26/h13-14,16-17H,3-12,15,18-20H2,1-2H3

InChI Key

XETZEZZSBBIDSC-UHFFFAOYSA-N

Formula

C25H38O5

SMILES

CCCCCCCOC(=O)CCCCCCCCC(=O)Oc1ccccc1C(C)=O

Molecular Weight¹

418.57

• 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	[514.72; 1192.77]	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			1.87340e+01
Coefficient B			2.10284e+00
Coefficient C			-1.09246e-03
Coefficient D			1.63660e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	514.72	J/mol×K	273.00	Calculated Property
Cp,gas	633.19	J/mol×K	353.78	Calculated Property
Cp,gas	739.67	J/mol×K	434.56	Calculated Property
Cp,gas	834.67	J/mol×K	515.33	Calculated Property
Cp,gas	918.72	J/mol×K	596.11	Calculated Property
Cp,gas	992.34	J/mol×K	676.89	Calculated Property
Cp,gas	1056.03	J/mol×K	757.67	Calculated Property
Cp,gas	1110.33	J/mol×K	838.44	Calculated Property
Cp,gas	1155.73	J/mol×K	919.22	Calculated Property
Cp,gas	1192.77	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003643; 0.0000352]	Pa×s	[545.04; 834.38]	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			-1.46551e+01
Coefficient B			3.67223e+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.			545.04
Temperature range, max.			834.38
η	0.0003643	Pa×s	545.04	Calculated Property
η	0.0002503	Pa×s	577.19	Calculated Property
η	0.0001789	Pa×s	609.34	Calculated Property
η	0.0001323	Pa×s	641.49	Calculated Property
η	0.0001007	Pa×s	673.64	Calculated Property
η	0.0000785	Pa×s	705.79	Calculated Property
η	0.0000626	Pa×s	737.93	Calculated Property
η	0.0000509	Pa×s	770.08	Calculated Property
η	0.0000420	Pa×s	802.23	Calculated Property
η	0.0000352	Pa×s	834.38	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 2-acetylphenyl heptyl ester.

Sources

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

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