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

InChI

InChI=1S/C29H54O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26-32-28(30)24-20-21-25-29(31)33-27(3)23-5-2/h5,27H,2,4,6-26H2,1,3H3

InChI Key

XROQBMOJVBWIML-UHFFFAOYSA-N

Formula

C29H54O4

SMILES

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

Molecular Weight¹

466.74

• 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	[643.23; 1503.71]	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			2.26720e+01
Coefficient B			2.63514e+00
Coefficient C			-1.39070e-03
Coefficient D			2.36600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	643.23	J/mol×K	273.00	Calculated Property
Cp,gas	791.34	J/mol×K	353.78	Calculated Property
Cp,gas	924.58	J/mol×K	434.56	Calculated Property
Cp,gas	1043.70	J/mol×K	515.33	Calculated Property
Cp,gas	1149.44	J/mol×K	596.11	Calculated Property
Cp,gas	1242.56	J/mol×K	676.89	Calculated Property
Cp,gas	1323.79	J/mol×K	757.67	Calculated Property
Cp,gas	1393.90	J/mol×K	838.44	Calculated Property
Cp,gas	1453.62	J/mol×K	919.22	Calculated Property
Cp,gas	1503.71	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005162; 0.0000182]	Pa×s	[484.49; 846.27]	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			-1.53982e+01
Coefficient B			3.79318e+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.			484.49
Temperature range, max.			846.27
η	0.0005162	Pa×s	484.49	Calculated Property
η	0.0002834	Pa×s	524.69	Calculated Property
η	0.0001694	Pa×s	564.89	Calculated Property
η	0.0001084	Pa×s	605.08	Calculated Property
η	0.0000734	Pa×s	645.28	Calculated Property
η	0.0000520	Pa×s	685.48	Calculated Property
η	0.0000383	Pa×s	725.68	Calculated Property
η	0.0000291	Pa×s	765.87	Calculated Property
η	0.0000227	Pa×s	806.07	Calculated Property
η	0.0000182	Pa×s	846.27	Calculated Property

Similar Compounds

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

Sources

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

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