Chemical Properties of Sebacic acid, di(trans-3-hexenyl) ester

InChI

InChI=1S/C22H38O4/c1-3-5-7-15-19-25-21(23)17-13-11-9-10-12-14-18-22(24)26-20-16-8-6-4-2/h5-8H,3-4,9-20H2,1-2H3/b7-5+,8-6+

InChI Key

OVBNTYMBVVPECU-KQQUZDAGSA-N

Formula

C22H38O4

SMILES

CCC=CCCOC(=O)CCCCCCCCC(=O)OCCC=CCC

Molecular Weight¹

366.53

• 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	[476.85; 1109.38]	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			5.34400e+00
Coefficient B			2.02424e+00
Coefficient C			-1.15140e-03
Coefficient D			2.31200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	476.85	J/mol×K	273.00	Calculated Property
Cp,gas	587.60	J/mol×K	353.78	Calculated Property
Cp,gas	686.53	J/mol×K	434.56	Calculated Property
Cp,gas	774.37	J/mol×K	515.33	Calculated Property
Cp,gas	851.84	J/mol×K	596.11	Calculated Property
Cp,gas	919.69	J/mol×K	676.89	Calculated Property
Cp,gas	978.63	J/mol×K	757.67	Calculated Property
Cp,gas	1029.41	J/mol×K	838.44	Calculated Property
Cp,gas	1072.75	J/mol×K	919.22	Calculated Property
Cp,gas	1109.38	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010410; 0.0000436]	Pa×s	[412.20; 710.88]	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			-1.44219e+01
Coefficient B			3.11388e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			412.20
Temperature range, max.			710.88
η	0.0010410	Pa×s	412.20	Calculated Property
η	0.0005929	Pa×s	445.39	Calculated Property
η	0.0003651	Pa×s	478.57	Calculated Property
η	0.0002394	Pa×s	511.76	Calculated Property
η	0.0001653	Pa×s	544.95	Calculated Property
η	0.0001191	Pa×s	578.13	Calculated Property
η	0.0000889	Pa×s	611.32	Calculated Property
η	0.0000684	Pa×s	644.51	Calculated Property
η	0.0000540	Pa×s	677.69	Calculated Property
η	0.0000436	Pa×s	710.88	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, di(trans-3-hexenyl) 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.