Chemical Properties of Sebacic acid, di(oct-3-en-2-yl) ester

InChI

InChI=1S/C26H46O4/c1-5-7-9-15-19-23(3)29-25(27)21-17-13-11-12-14-18-22-26(28)30-24(4)20-16-10-8-6-2/h15-16,19-20,23-24H,5-14,17-18,21-22H2,1-4H3/b19-15+,20-16+

InChI Key

FFWIRVWGVZSZHW-MXWIWYRXSA-N

Formula

C26H46O4

SMILES

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

Molecular Weight¹

422.64

• 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	[561.08; 1316.82]	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			-1.65600e+00
Coefficient B			2.41608e+00
Coefficient C			-1.37540e-03
Coefficient D			2.77800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	561.08	J/mol×K	273.00	Calculated Property
Cp,gas	693.26	J/mol×K	353.78	Calculated Property
Cp,gas	811.33	J/mol×K	434.56	Calculated Property
Cp,gas	916.19	J/mol×K	515.33	Calculated Property
Cp,gas	1008.70	J/mol×K	596.11	Calculated Property
Cp,gas	1089.74	J/mol×K	676.89	Calculated Property
Cp,gas	1160.19	J/mol×K	757.67	Calculated Property
Cp,gas	1220.94	J/mol×K	838.44	Calculated Property
Cp,gas	1272.86	J/mol×K	919.22	Calculated Property
Cp,gas	1316.82	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009144; 0.0000201]	Pa×s	[427.28; 787.38]	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			-1.53435e+01
Coefficient B			3.56616e+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.			427.28
Temperature range, max.			787.38
η	0.0009144	Pa×s	427.28	Calculated Property
η	0.0004475	Pa×s	467.29	Calculated Property
η	0.0002451	Pa×s	507.30	Calculated Property
η	0.0001466	Pa×s	547.31	Calculated Property
η	0.0000941	Pa×s	587.33	Calculated Property
η	0.0000639	Pa×s	627.34	Calculated Property
η	0.0000454	Pa×s	667.35	Calculated Property
η	0.0000336	Pa×s	707.36	Calculated Property
η	0.0000256	Pa×s	747.37	Calculated Property
η	0.0000201	Pa×s	787.38	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, di(oct-3-en-2-yl) ester.

Sources

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

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