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

InChI

InChI=1S/C16H28O5/c1-4-5-6-7-8-12-20-15(18)10-9-11-16(19)21-14(3)13(2)17/h14H,4-12H2,1-3H3

InChI Key

YHWWLDPEXZYLSJ-UHFFFAOYSA-N

Formula

C16H28O5

SMILES

CCCCCCCOC(=O)CCCC(=O)OC(C)C(C)=O

Molecular Weight¹

300.39

• 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	[378.19; 850.56]	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			4.48390e+01
Coefficient B			1.39216e+00
Coefficient C			-6.41900e-04
Coefficient D			5.54600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	378.19	J/mol×K	273.00	Calculated Property
Cp,gas	459.47	J/mol×K	353.78	Calculated Property
Cp,gas	533.15	J/mol×K	434.56	Calculated Property
Cp,gas	599.39	J/mol×K	515.33	Calculated Property
Cp,gas	658.37	J/mol×K	596.11	Calculated Property
Cp,gas	710.27	J/mol×K	676.89	Calculated Property
Cp,gas	755.27	J/mol×K	757.67	Calculated Property
Cp,gas	793.53	J/mol×K	838.44	Calculated Property
Cp,gas	825.23	J/mol×K	919.22	Calculated Property
Cp,gas	850.56	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021380; 0.0001174]	Pa×s	[389.67; 641.58]	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			-1.35399e+01
Coefficient B			2.88045e+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.			389.67
Temperature range, max.			641.58
η	0.0021380	Pa×s	389.67	Calculated Property
η	0.0013028	Pa×s	417.66	Calculated Property
η	0.0008448	Pa×s	445.65	Calculated Property
η	0.0005766	Pa×s	473.64	Calculated Property
η	0.0004107	Pa×s	501.63	Calculated Property
η	0.0003032	Pa×s	529.62	Calculated Property
η	0.0002307	Pa×s	557.61	Calculated Property
η	0.0001803	Pa×s	585.60	Calculated Property
η	0.0001440	Pa×s	613.59	Calculated Property
η	0.0001174	Pa×s	641.58	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, heptyl 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.