Chemical Properties of Diethylmalonic acid, heptyl 3-phenoxybenzyl ester

InChI

InChI=1S/C27H36O5/c1-4-7-8-9-13-19-30-25(28)27(5-2,6-3)26(29)31-21-22-15-14-18-24(20-22)32-23-16-11-10-12-17-23/h10-12,14-18,20H,4-9,13,19,21H2,1-3H3

InChI Key

YRRZRWXJOUZZRM-UHFFFAOYSA-N

Formula

C27H36O5

SMILES

CCCCCCCOC(=O)C(CC)(CC)C(=O)OCc1cccc(Oc2ccccc2)c1

Molecular Weight¹

440.58

• 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).
• 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, Enthalpy of vaporization 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	[1212.81; 1272.92]	J/mol×K	[1011.33; 1239.88]
Cp,gas	1212.81	J/mol×K	1011.33	Joback Calculated Property
Cp,gas	1226.62	J/mol×K	1049.42	Joback Calculated Property
Cp,gas	1238.81	J/mol×K	1087.51	Joback Calculated Property
Cp,gas	1249.45	J/mol×K	1125.60	Joback Calculated Property
Cp,gas	1258.63	J/mol×K	1163.69	Joback Calculated Property
Cp,gas	1266.43	J/mol×K	1201.78	Joback Calculated Property
Cp,gas	1272.92	J/mol×K	1239.88	Joback Calculated Property
η	[0.0000084; 0.0001835]	Pa×s	[568.72; 1011.33]
η	0.0001835	Pa×s	568.72	Joback Calculated Property
η	0.0000817	Pa×s	642.49	Joback Calculated Property
η	0.0000429	Pa×s	716.26	Joback Calculated Property
η	0.0000255	Pa×s	790.02	Joback Calculated Property
η	0.0000165	Pa×s	863.79	Joback Calculated Property
η	0.0000115	Pa×s	937.56	Joback Calculated Property
η	0.0000084	Pa×s	1011.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, heptyl 3-phenoxybenzyl 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.
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