Chemical Properties of Acetoxyacetic acid, heptadecyl ester

InChI

InChI=1S/C21H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-21(23)19-25-20(2)22/h3-19H2,1-2H3

InChI Key

JGOLHUWGUSEARW-UHFFFAOYSA-N

Formula

C21H40O4

SMILES

CCCCCCCCCCCCCCCCCOC(=O)COC(C)=O

Molecular Weight¹

356.54

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[483.65; 1118.96]	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			3.46170e+01
Coefficient B			1.88924e+00
Coefficient C			-9.29400e-04
Coefficient D			1.24500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	483.65	J/mol×K	273.00	Calculated Property
Cp,gas	592.18	J/mol×K	353.78	Calculated Property
Cp,gas	690.31	J/mol×K	434.56	Calculated Property
Cp,gas	778.42	J/mol×K	515.33	Calculated Property
Cp,gas	856.93	J/mol×K	596.11	Calculated Property
Cp,gas	926.20	J/mol×K	676.89	Calculated Property
Cp,gas	986.65	J/mol×K	757.67	Calculated Property
Cp,gas	1038.66	J/mol×K	838.44	Calculated Property
Cp,gas	1082.63	J/mol×K	919.22	Calculated Property
Cp,gas	1118.96	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013370; 0.0000682]	Pa×s	[411.09; 683.75]	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			-1.40785e+01
Coefficient B			3.06724e+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.			411.09
Temperature range, max.			683.75
η	0.0013370	Pa×s	411.09	Calculated Property
η	0.0008012	Pa×s	441.39	Calculated Property
η	0.0005127	Pa×s	471.68	Calculated Property
η	0.0003463	Pa×s	501.98	Calculated Property
η	0.0002446	Pa×s	532.27	Calculated Property
η	0.0001793	Pa×s	562.57	Calculated Property
η	0.0001357	Pa×s	592.86	Calculated Property
η	0.0001055	Pa×s	623.16	Calculated Property
η	0.0000840	Pa×s	653.45	Calculated Property
η	0.0000682	Pa×s	683.75	Calculated Property

Similar Compounds

Find more compounds similar to Acetoxyacetic acid, heptadecyl ester.

Sources

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

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