Chemical Properties of Sebacic acid, tetrahydrofurfuryl heptyl ester

InChI

InChI=1S/C22H40O5/c1-2-3-4-9-12-17-26-21(23)15-10-7-5-6-8-11-16-22(24)27-19-20-14-13-18-25-20/h20H,2-19H2,1H3

InChI Key

GSNMVRAKNCUOGL-UHFFFAOYSA-N

Formula

C22H40O5

SMILES

CCCCCCCOC(=O)CCCCCCCCC(=O)OCC1CCCO1

Molecular Weight¹

384.55

• 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	[488.99; 1173.36]	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			-9.45500e+00
Coefficient B			2.11292e+00
Coefficient C			-1.09730e-03
Coefficient D			1.67200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	488.99	J/mol×K	273.00	Calculated Property
Cp,gas	608.12	J/mol×K	353.78	Calculated Property
Cp,gas	715.23	J/mol×K	434.56	Calculated Property
Cp,gas	810.88	J/mol×K	515.33	Calculated Property
Cp,gas	895.57	J/mol×K	596.11	Calculated Property
Cp,gas	969.85	J/mol×K	676.89	Calculated Property
Cp,gas	1034.24	J/mol×K	757.67	Calculated Property
Cp,gas	1089.27	J/mol×K	838.44	Calculated Property
Cp,gas	1135.47	J/mol×K	919.22	Calculated Property
Cp,gas	1173.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011058; 0.0000733]	Pa×s	[459.83; 739.63]	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			-1.39819e+01
Coefficient B			3.29917e+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.			459.83
Temperature range, max.			739.63
η	0.0011058	Pa×s	459.83	Calculated Property
η	0.0007020	Pa×s	490.92	Calculated Property
η	0.0004705	Pa×s	522.01	Calculated Property
η	0.0003298	Pa×s	553.10	Calculated Property
η	0.0002401	Pa×s	584.19	Calculated Property
η	0.0001805	Pa×s	615.28	Calculated Property
η	0.0001395	Pa×s	646.37	Calculated Property
η	0.0001103	Pa×s	677.45	Calculated Property
η	0.0000891	Pa×s	708.54	Calculated Property
η	0.0000733	Pa×s	739.63	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, tetrahydrofurfuryl heptyl ester.

Sources

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

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