Chemical Properties of Diethylmalonic acid, 4-acetylphenyl hexyl ester

InChI

InChI=1S/C21H30O5/c1-5-8-9-10-15-25-19(23)21(6-2,7-3)20(24)26-18-13-11-17(12-14-18)16(4)22/h11-14H,5-10,15H2,1-4H3

InChI Key

LWZUGQASLKTELZ-UHFFFAOYSA-N

Formula

C21H30O5

SMILES

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

Molecular Weight¹

362.46

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[941.77; 1012.14]	J/mol×K	[878.82; 1087.06]
Cp,gas	941.77	J/mol×K	878.82	Joback Calculated Property
Cp,gas	956.54	J/mol×K	913.53	Joback Calculated Property
Cp,gas	970.03	J/mol×K	948.23	Joback Calculated Property
Cp,gas	982.29	J/mol×K	982.94	Joback Calculated Property
Cp,gas	993.36	J/mol×K	1017.65	Joback Calculated Property
Cp,gas	1003.30	J/mol×K	1052.36	Joback Calculated Property
Cp,gas	1012.14	J/mol×K	1087.06	Joback Calculated Property
η	[0.0000272; 0.0005540]	Pa×s	[502.38; 878.82]
η	0.0005540	Pa×s	502.38	Joback Calculated Property
η	0.0002536	Pa×s	565.12	Joback Calculated Property
η	0.0001357	Pa×s	627.86	Joback Calculated Property
η	0.0000814	Pa×s	690.60	Joback Calculated Property
η	0.0000531	Pa×s	753.34	Joback Calculated Property
η	0.0000370	Pa×s	816.08	Joback Calculated Property
η	0.0000272	Pa×s	878.82	Joback Calculated Property

Similar Compounds

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

Sources

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

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