Chemical Properties of Adipic acid, pent-4-en-2-yl undecyl ester

InChI

InChI=1S/C22H40O4/c1-4-6-7-8-9-10-11-12-15-19-25-21(23)17-13-14-18-22(24)26-20(3)16-5-2/h5,20H,2,4,6-19H2,1,3H3

InChI Key

ZBTQYMQDXDFQDB-UHFFFAOYSA-N

Formula

C22H40O4

SMILES

C=CCC(C)OC(=O)CCCCC(=O)OCCCCCCCCCCC

Molecular Weight¹

368.55

• 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	[494.74; 1142.58]	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			2.90350e+01
Coefficient B			1.97014e+00
Coefficient C			-1.00990e-03
Coefficient D			1.53300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	494.74	J/mol×K	273.00	Calculated Property
Cp,gas	606.42	J/mol×K	353.78	Calculated Property
Cp,gas	707.04	J/mol×K	434.56	Calculated Property
Cp,gas	797.10	J/mol×K	515.33	Calculated Property
Cp,gas	877.06	J/mol×K	596.11	Calculated Property
Cp,gas	947.43	J/mol×K	676.89	Calculated Property
Cp,gas	1008.68	J/mol×K	757.67	Calculated Property
Cp,gas	1061.30	J/mol×K	838.44	Calculated Property
Cp,gas	1105.77	J/mol×K	919.22	Calculated Property
Cp,gas	1142.58	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014819; 0.0000575]	Pa×s	[405.60; 699.99]	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			-1.42414e+01
Coefficient B			3.13406e+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.			405.60
Temperature range, max.			699.99
η	0.0014819	Pa×s	405.60	Calculated Property
η	0.0008325	Pa×s	438.31	Calculated Property
η	0.0005067	Pa×s	471.02	Calculated Property
η	0.0003289	Pa×s	503.73	Calculated Property
η	0.0002251	Pa×s	536.44	Calculated Property
η	0.0001609	Pa×s	569.15	Calculated Property
η	0.0001193	Pa×s	601.86	Calculated Property
η	0.0000912	Pa×s	634.57	Calculated Property
η	0.0000716	Pa×s	667.28	Calculated Property
η	0.0000575	Pa×s	699.99	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, pent-4-en-2-yl undecyl ester.

Sources

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

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