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

InChI

InChI=1S/C27H50O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-24-30-26(28)22-18-19-23-27(29)31-25(3)21-5-2/h5,25H,2,4,6-24H2,1,3H3

InChI Key

IRYCIXGKQUXYAI-UHFFFAOYSA-N

Formula

C27H50O4

SMILES

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

Molecular Weight¹

438.68

• 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	[600.80; 1400.53]	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			2.44900e+01
Coefficient B			2.44514e+00
Coefficient C			-1.28190e-03
Coefficient D			2.12800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	600.80	J/mol×K	273.00	Calculated Property
Cp,gas	738.51	J/mol×K	353.78	Calculated Property
Cp,gas	862.43	J/mol×K	434.56	Calculated Property
Cp,gas	973.24	J/mol×K	515.33	Calculated Property
Cp,gas	1071.62	J/mol×K	596.11	Calculated Property
Cp,gas	1158.24	J/mol×K	676.89	Calculated Property
Cp,gas	1233.76	J/mol×K	757.67	Calculated Property
Cp,gas	1298.87	J/mol×K	838.44	Calculated Property
Cp,gas	1354.24	J/mol×K	919.22	Calculated Property
Cp,gas	1400.53	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007041; 0.0000259]	Pa×s	[461.95; 800.63]	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			-1.50622e+01
Coefficient B			3.60486e+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.			461.95
Temperature range, max.			800.63
η	0.0007041	Pa×s	461.95	Calculated Property
η	0.0003911	Pa×s	499.58	Calculated Property
η	0.0002360	Pa×s	537.21	Calculated Property
η	0.0001521	Pa×s	574.84	Calculated Property
η	0.0001034	Pa×s	612.47	Calculated Property
η	0.0000736	Pa×s	650.10	Calculated Property
η	0.0000543	Pa×s	687.74	Calculated Property
η	0.0000414	Pa×s	725.37	Calculated Property
η	0.0000324	Pa×s	763.00	Calculated Property
η	0.0000259	Pa×s	800.63	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, hexadecyl 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.