Chemical Properties of Sebacic acid, hexyl oct-3-en-2-yl ester

InChI

InChI=1S/C24H44O4/c1-4-6-8-14-18-22(3)28-24(26)20-16-13-11-10-12-15-19-23(25)27-21-17-9-7-5-2/h14,18,22H,4-13,15-17,19-21H2,1-3H3/b18-14+

InChI Key

KTIGMJSPCKGHGB-NBVRZTHBSA-N

Formula

C24H44O4

SMILES

CCCCC=CC(C)OC(=O)CCCCCCCCC(=O)OCCCCCC

Molecular Weight¹

396.60

• 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	[532.97; 1243.69]	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			1.60260e+01
Coefficient B			2.20016e+00
Coefficient C			-1.17960e-03
Coefficient D			2.07100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	532.97	J/mol×K	273.00	Calculated Property
Cp,gas	655.93	J/mol×K	353.78	Calculated Property
Cp,gas	766.36	J/mol×K	434.56	Calculated Property
Cp,gas	864.92	J/mol×K	515.33	Calculated Property
Cp,gas	952.27	J/mol×K	596.11	Calculated Property
Cp,gas	1029.05	J/mol×K	676.89	Calculated Property
Cp,gas	1095.93	J/mol×K	757.67	Calculated Property
Cp,gas	1153.56	J/mol×K	838.44	Calculated Property
Cp,gas	1202.59	J/mol×K	919.22	Calculated Property
Cp,gas	1243.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010375; 0.0000346]	Pa×s	[424.82; 744.63]	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			-1.47890e+01
Coefficient B			3.36378e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			424.82
Temperature range, max.			744.63
η	0.0010375	Pa×s	424.82	Calculated Property
η	0.0005631	Pa×s	460.35	Calculated Property
η	0.0003336	Pa×s	495.89	Calculated Property
η	0.0002119	Pa×s	531.42	Calculated Property
η	0.0001425	Pa×s	566.96	Calculated Property
η	0.0001004	Pa×s	602.49	Calculated Property
η	0.0000736	Pa×s	638.02	Calculated Property
η	0.0000557	Pa×s	673.56	Calculated Property
η	0.0000434	Pa×s	709.09	Calculated Property
η	0.0000346	Pa×s	744.63	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, hexyl oct-3-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.