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

InChI

InChI=1S/C15H26O5/c1-4-5-6-7-11-19-14(17)9-8-10-15(18)20-13(3)12(2)16/h13H,4-11H2,1-3H3

InChI Key

HYVVSODHXKSSPQ-UHFFFAOYSA-N

Formula

C15H26O5

SMILES

CCCCCCOC(=O)CCCC(=O)OC(C)C(C)=O

Molecular Weight¹

286.36

• 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	[356.97; 798.97]	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			4.57480e+01
Coefficient B			1.29716e+00
Coefficient C			-5.87500e-04
Coefficient D			4.35600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	356.97	J/mol×K	273.00	Calculated Property
Cp,gas	433.05	J/mol×K	353.78	Calculated Property
Cp,gas	502.07	J/mol×K	434.56	Calculated Property
Cp,gas	564.16	J/mol×K	515.33	Calculated Property
Cp,gas	619.46	J/mol×K	596.11	Calculated Property
Cp,gas	668.11	J/mol×K	676.89	Calculated Property
Cp,gas	710.25	J/mol×K	757.67	Calculated Property
Cp,gas	746.01	J/mol×K	838.44	Calculated Property
Cp,gas	775.54	J/mol×K	919.22	Calculated Property
Cp,gas	798.97	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0024166; 0.0001319]	Pa×s	[378.40; 625.42]	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			-1.33887e+01
Coefficient B			2.78629e+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.			378.40
Temperature range, max.			625.42
η	0.0024166	Pa×s	378.40	Calculated Property
η	0.0014687	Pa×s	405.85	Calculated Property
η	0.0009508	Pa×s	433.29	Calculated Property
η	0.0006482	Pa×s	460.74	Calculated Property
η	0.0004614	Pa×s	488.19	Calculated Property
η	0.0003405	Pa×s	515.63	Calculated Property
η	0.0002591	Pa×s	543.08	Calculated Property
η	0.0002024	Pa×s	570.53	Calculated Property
η	0.0001618	Pa×s	597.98	Calculated Property
η	0.0001319	Pa×s	625.42	Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.