Chemical Properties of Sebacic acid, heptyl 4-isopropoxyphenyl ester

InChI

InChI=1S/C26H42O5/c1-4-5-6-11-14-21-29-25(27)15-12-9-7-8-10-13-16-26(28)31-24-19-17-23(18-20-24)30-22(2)3/h17-20,22H,4-16,21H2,1-3H3

InChI Key

LKFMZSZNEILWBV-UHFFFAOYSA-N

Formula

C26H42O5

SMILES

CCCCCCCOC(=O)CCCCCCCCC(=O)Oc1ccc(OC(C)C)cc1

Molecular Weight¹

434.61

• 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	[550.10; 1274.38]	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			3.42840e+01
Coefficient B			2.16856e+00
Coefficient C			-1.05776e-03
Coefficient D			1.29300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	550.10	J/mol×K	273.00	Calculated Property
Cp,gas	674.81	J/mol×K	353.78	Calculated Property
Cp,gas	787.51	J/mol×K	434.56	Calculated Property
Cp,gas	888.60	J/mol×K	515.33	Calculated Property
Cp,gas	978.50	J/mol×K	596.11	Calculated Property
Cp,gas	1057.62	J/mol×K	676.89	Calculated Property
Cp,gas	1126.35	J/mol×K	757.67	Calculated Property
Cp,gas	1185.12	J/mol×K	838.44	Calculated Property
Cp,gas	1234.33	J/mol×K	919.22	Calculated Property
Cp,gas	1274.38	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003287; 0.0000218]	Pa×s	[513.61; 826.86]	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			-1.51855e+01
Coefficient B			3.68011e+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.			513.61
Temperature range, max.			826.86
η	0.0003287	Pa×s	513.61	Calculated Property
η	0.0002086	Pa×s	548.42	Calculated Property
η	0.0001398	Pa×s	583.22	Calculated Property
η	0.0000980	Pa×s	618.03	Calculated Property
η	0.0000713	Pa×s	652.83	Calculated Property
η	0.0000536	Pa×s	687.64	Calculated Property
η	0.0000414	Pa×s	722.44	Calculated Property
η	0.0000328	Pa×s	757.25	Calculated Property
η	0.0000265	Pa×s	792.05	Calculated Property
η	0.0000218	Pa×s	826.86	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, heptyl 4-isopropoxyphenyl ester.

Sources

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

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