Chemical Properties of Glutaric acid, nonyl 3-oxobut-2-yl ester

InChI

InChI=1S/C18H32O5/c1-4-5-6-7-8-9-10-14-22-17(20)12-11-13-18(21)23-16(3)15(2)19/h16H,4-14H2,1-3H3

InChI Key

OGYBFSCXBTZMEK-UHFFFAOYSA-N

Formula

C18H32O5

SMILES

CCCCCCCCCOC(=O)CCCC(=O)OC(C)C(C)=O

Molecular Weight¹

328.44

• 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	[420.61; 953.74]	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			4.30210e+01
Coefficient B			1.58216e+00
Coefficient C			-7.50700e-04
Coefficient D			7.92600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	420.61	J/mol×K	273.00	Calculated Property
Cp,gas	512.31	J/mol×K	353.78	Calculated Property
Cp,gas	595.30	J/mol×K	434.56	Calculated Property
Cp,gas	669.85	J/mol×K	515.33	Calculated Property
Cp,gas	736.19	J/mol×K	596.11	Calculated Property
Cp,gas	794.59	J/mol×K	676.89	Calculated Property
Cp,gas	845.30	J/mol×K	757.67	Calculated Property
Cp,gas	888.56	J/mol×K	838.44	Calculated Property
Cp,gas	924.62	J/mol×K	919.22	Calculated Property
Cp,gas	953.74	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016550; 0.0000912]	Pa×s	[412.21; 675.10]	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			-1.38486e+01
Coefficient B			3.06877e+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.			412.21
Temperature range, max.			675.10
η	0.0016550	Pa×s	412.21	Calculated Property
η	0.0010112	Pa×s	441.42	Calculated Property
η	0.0006569	Pa×s	470.63	Calculated Property
η	0.0004487	Pa×s	499.84	Calculated Property
η	0.0003197	Pa×s	529.05	Calculated Property
η	0.0002360	Pa×s	558.26	Calculated Property
η	0.0001796	Pa×s	587.47	Calculated Property
η	0.0001402	Pa×s	616.68	Calculated Property
η	0.0001120	Pa×s	645.89	Calculated Property
η	0.0000912	Pa×s	675.10	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, nonyl 3-oxobut-2-yl ester.

Sources

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

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