Chemical Properties of Sebacic acid, di(cis-non-3-enyl) ester

InChI

InChI=1S/C28H50O4/c1-3-5-7-9-13-17-21-25-31-27(29)23-19-15-11-12-16-20-24-28(30)32-26-22-18-14-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-26H2,1-2H3/b17-13-,18-14-

InChI Key

NHRKLPJLAZTUKG-JTFWXBGUSA-N

Formula

C28H50O4

SMILES

CCCCCC=CCCOC(=O)CCCCCCCCC(=O)OCCC=CCCCCC

Molecular Weight¹

450.69

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• IE : Ionization energy (eV).
• 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 for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[604.14; 1418.93]	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			-1.10000e-01
Coefficient B			2.59424e+00
Coefficient C			-1.47780e-03
Coefficient D			3.02600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	604.14	J/mol×K	273.00	Calculated Property
Cp,gas	746.11	J/mol×K	353.78	Calculated Property
Cp,gas	873.00	J/mol×K	434.56	Calculated Property
Cp,gas	985.74	J/mol×K	515.33	Calculated Property
Cp,gas	1085.31	J/mol×K	596.11	Calculated Property
Cp,gas	1172.65	J/mol×K	676.89	Calculated Property
Cp,gas	1248.73	J/mol×K	757.67	Calculated Property
Cp,gas	1314.50	J/mol×K	838.44	Calculated Property
Cp,gas	1370.91	J/mol×K	919.22	Calculated Property
Cp,gas	1418.93	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004342; 0.0000169]	Pa×s	[479.82; 832.21]	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			-1.54092e+01
Coefficient B			3.67884e+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.			479.82
Temperature range, max.			832.21
η	0.0004342	Pa×s	479.82	Calculated Property
η	0.0002435	Pa×s	518.97	Calculated Property
η	0.0001481	Pa×s	558.13	Calculated Property
η	0.0000961	Pa×s	597.28	Calculated Property
η	0.0000658	Pa×s	636.44	Calculated Property
η	0.0000471	Pa×s	675.59	Calculated Property
η	0.0000349	Pa×s	714.75	Calculated Property
η	0.0000267	Pa×s	753.90	Calculated Property
η	0.0000210	Pa×s	793.06	Calculated Property
η	0.0000169	Pa×s	832.21	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, di(cis-non-3-enyl) ester.

Sources

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

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