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

InChI

InChI=1S/C28H52O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25-31-27(29)23-19-20-24-28(30)32-26(3)22-5-2/h5,26H,2,4,6-25H2,1,3H3

InChI Key

DRWYHQDBJBSZMR-UHFFFAOYSA-N

Formula

C28H52O4

SMILES

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

Molecular Weight¹

452.72

• 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	[622.02; 1452.12]	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			2.35810e+01
Coefficient B			2.54014e+00
Coefficient C			-1.33630e-03
Coefficient D			2.24700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	622.02	J/mol×K	273.00	Calculated Property
Cp,gas	764.93	J/mol×K	353.78	Calculated Property
Cp,gas	893.51	J/mol×K	434.56	Calculated Property
Cp,gas	1008.47	J/mol×K	515.33	Calculated Property
Cp,gas	1110.53	J/mol×K	596.11	Calculated Property
Cp,gas	1200.40	J/mol×K	676.89	Calculated Property
Cp,gas	1278.78	J/mol×K	757.67	Calculated Property
Cp,gas	1346.39	J/mol×K	838.44	Calculated Property
Cp,gas	1403.93	J/mol×K	919.22	Calculated Property
Cp,gas	1452.12	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006033; 0.0000218]	Pa×s	[473.22; 823.00]	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			-1.52297e+01
Coefficient B			3.69902e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			473.22
Temperature range, max.			823.00
η	0.0006033	Pa×s	473.22	Calculated Property
η	0.0003334	Pa×s	512.08	Calculated Property
η	0.0002003	Pa×s	550.95	Calculated Property
η	0.0001287	Pa×s	589.81	Calculated Property
η	0.0000873	Pa×s	628.68	Calculated Property
η	0.0000620	Pa×s	667.54	Calculated Property
η	0.0000457	Pa×s	706.41	Calculated Property
η	0.0000348	Pa×s	745.27	Calculated Property
η	0.0000272	Pa×s	784.14	Calculated Property
η	0.0000218	Pa×s	823.00	Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.