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

InChI

InChI=1S/C18H30O6/c1-13(19)15(3)23-17(21)11-9-7-5-6-8-10-12-18(22)24-16(4)14(2)20/h15-16H,5-12H2,1-4H3

InChI Key

STLBYVLCPWJHCB-UHFFFAOYSA-N

Formula

C18H30O6

SMILES

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

Molecular Weight¹

342.43

• 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	[421.22; 943.30]	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			4.86980e+01
Coefficient B			1.56008e+00
Coefficient C			-7.35200e-04
Coefficient D			6.97200e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	421.22	J/mol×K	273.00	Calculated Property
Cp,gas	511.69	J/mol×K	353.78	Calculated Property
Cp,gas	593.53	J/mol×K	434.56	Calculated Property
Cp,gas	666.95	J/mol×K	515.33	Calculated Property
Cp,gas	732.20	J/mol×K	596.11	Calculated Property
Cp,gas	789.47	J/mol×K	676.89	Calculated Property
Cp,gas	838.99	J/mol×K	757.67	Calculated Property
Cp,gas	881.00	J/mol×K	838.44	Calculated Property
Cp,gas	915.69	J/mol×K	919.22	Calculated Property
Cp,gas	943.30	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013690; 0.0000800]	Pa×s	[447.14; 719.67]	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			-1.40919e+01
Coefficient B			3.35278e+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.			447.14
Temperature range, max.			719.67
η	0.0013690	Pa×s	447.14	Calculated Property
η	0.0008509	Pa×s	477.42	Calculated Property
η	0.0005597	Pa×s	507.70	Calculated Property
η	0.0003859	Pa×s	537.98	Calculated Property
η	0.0002769	Pa×s	568.27	Calculated Property
η	0.0002054	Pa×s	598.55	Calculated Property
η	0.0001569	Pa×s	628.83	Calculated Property
η	0.0001228	Pa×s	659.11	Calculated Property
η	0.0000982	Pa×s	689.39	Calculated Property
η	0.0000800	Pa×s	719.67	Calculated Property

Similar Compounds

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

Sources

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

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