Chemical Properties of Diethylmalonic acid, monochloride, 1-phenylpropyl ester

InChI

InChI=1S/C16H21ClO3/c1-4-13(12-10-8-7-9-11-12)20-15(19)16(5-2,6-3)14(17)18/h7-11,13H,4-6H2,1-3H3

InChI Key

ZXWZQVWUEBQBKK-UHFFFAOYSA-N

Formula

C16H21ClO3

SMILES

CCC(OC(=O)C(CC)(CC)C(=O)Cl)c1ccccc1

Molecular Weight¹

296.79

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[646.73; 722.22]	J/mol×K	[738.21; 954.58]
Cp,gas	646.73	J/mol×K	738.21	Joback Calculated Property
Cp,gas	662.04	J/mol×K	774.27	Joback Calculated Property
Cp,gas	676.18	J/mol×K	810.33	Joback Calculated Property
Cp,gas	689.20	J/mol×K	846.40	Joback Calculated Property
Cp,gas	701.18	J/mol×K	882.46	Joback Calculated Property
Cp,gas	712.16	J/mol×K	918.52	Joback Calculated Property
Cp,gas	722.22	J/mol×K	954.58	Joback Calculated Property
η	[0.0000734; 0.0018976]	Pa×s	[406.10; 738.21]
η	0.0018976	Pa×s	406.10	Joback Calculated Property
η	0.0007972	Pa×s	461.45	Joback Calculated Property
η	0.0004033	Pa×s	516.80	Joback Calculated Property
η	0.0002328	Pa×s	572.15	Joback Calculated Property
η	0.0001480	Pa×s	627.51	Joback Calculated Property
η	0.0001013	Pa×s	682.86	Joback Calculated Property
η	0.0000734	Pa×s	738.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, monochloride, 1-phenylpropyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
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