Chemical Properties of Diethylmalonic acid, 4-acetylphenyl butyl ester

InChI

InChI=1S/C19H26O5/c1-5-8-13-23-17(21)19(6-2,7-3)18(22)24-16-11-9-15(10-12-16)14(4)20/h9-12H,5-8,13H2,1-4H3

InChI Key

KOKNKQBDZDTXJR-UHFFFAOYSA-N

Formula

C19H26O5

SMILES

CCCCOC(=O)C(CC)(CC)C(=O)Oc1ccc(C(C)=O)cc1

Molecular Weight¹

334.41

• 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	[385.98; 884.70]	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			-2.85000e-01
Coefficient B			1.65868e+00
Coefficient C			-9.37860e-04
Coefficient D			1.64160e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	385.98	J/mol×K	273.00	Calculated Property
Cp,gas	476.41	J/mol×K	353.78	Calculated Property
Cp,gas	556.87	J/mol×K	434.56	Calculated Property
Cp,gas	627.89	J/mol×K	515.33	Calculated Property
Cp,gas	689.98	J/mol×K	596.11	Calculated Property
Cp,gas	743.66	J/mol×K	676.89	Calculated Property
Cp,gas	789.46	J/mol×K	757.67	Calculated Property
Cp,gas	827.88	J/mol×K	838.44	Calculated Property
Cp,gas	859.45	J/mol×K	919.22	Calculated Property
Cp,gas	884.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007154; 0.0000660]	Pa×s	[479.84; 728.85]	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			-1.42196e+01
Coefficient B			3.34781e+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.			479.84
Temperature range, max.			728.85
η	0.0007154	Pa×s	479.84	Calculated Property
η	0.0004890	Pa×s	507.51	Calculated Property
η	0.0003477	Pa×s	535.18	Calculated Property
η	0.0002557	Pa×s	562.84	Calculated Property
η	0.0001935	Pa×s	590.51	Calculated Property
η	0.0001501	Pa×s	618.18	Calculated Property
η	0.0001190	Pa×s	645.85	Calculated Property
η	0.0000962	Pa×s	673.51	Calculated Property
η	0.0000791	Pa×s	701.18	Calculated Property
η	0.0000660	Pa×s	728.85	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 4-acetylphenyl butyl 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.