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

InChI

InChI=1S/C21H38O5/c1-4-5-6-7-8-9-10-11-12-13-17-25-20(23)15-14-16-21(24)26-19(3)18(2)22/h19H,4-17H2,1-3H3

InChI Key

HTPLGYMFFHWKAA-UHFFFAOYSA-N

Formula

C21H38O5

SMILES

CCCCCCCCCCCCOC(=O)CCCC(=O)OC(C)C(C)=O

Molecular Weight¹

370.52

• 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	[484.26; 1108.51]	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			4.02940e+01
Coefficient B			1.86716e+00
Coefficient C			-9.13900e-04
Coefficient D			1.14960e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	484.26	J/mol×K	273.00	Calculated Property
Cp,gas	591.56	J/mol×K	353.78	Calculated Property
Cp,gas	688.53	J/mol×K	434.56	Calculated Property
Cp,gas	775.53	J/mol×K	515.33	Calculated Property
Cp,gas	852.93	J/mol×K	596.11	Calculated Property
Cp,gas	921.08	J/mol×K	676.89	Calculated Property
Cp,gas	980.35	J/mol×K	757.67	Calculated Property
Cp,gas	1031.10	J/mol×K	838.44	Calculated Property
Cp,gas	1073.70	J/mol×K	919.22	Calculated Property
Cp,gas	1108.51	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011012; 0.0000596]	Pa×s	[446.02; 728.96]	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			-1.43251e+01
Coefficient B			3.35125e+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.			446.02
Temperature range, max.			728.96
η	0.0011012	Pa×s	446.02	Calculated Property
η	0.0006714	Pa×s	477.46	Calculated Property
η	0.0004352	Pa×s	508.90	Calculated Property
η	0.0002967	Pa×s	540.33	Calculated Property
η	0.0002109	Pa×s	571.77	Calculated Property
η	0.0001554	Pa×s	603.21	Calculated Property
η	0.0001180	Pa×s	634.65	Calculated Property
η	0.0000920	Pa×s	666.09	Calculated Property
η	0.0000733	Pa×s	697.52	Calculated Property
η	0.0000596	Pa×s	728.96	Calculated Property

Similar Compounds

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

Sources

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

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