Chemical Properties of Diethylmalonic acid, 3-phenoxybenzyl propyl ester

InChI

InChI=1S/C23H28O5/c1-4-15-26-21(24)23(5-2,6-3)22(25)27-17-18-11-10-14-20(16-18)28-19-12-8-7-9-13-19/h7-14,16H,4-6,15,17H2,1-3H3

InChI Key

QZLIUKIMWKFFFQ-UHFFFAOYSA-N

Formula

C23H28O5

SMILES

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

Molecular Weight¹

384.47

• 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).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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 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	[973.69; 1036.29]	J/mol×K	[919.81; 1142.82]
Cp,gas	973.69	J/mol×K	919.81	Joback Calculated Property
Cp,gas	987.69	J/mol×K	956.98	Joback Calculated Property
Cp,gas	1000.18	J/mol×K	994.15	Joback Calculated Property
Cp,gas	1011.23	J/mol×K	1031.32	Joback Calculated Property
Cp,gas	1020.89	J/mol×K	1068.48	Joback Calculated Property
Cp,gas	1029.23	J/mol×K	1105.65	Joback Calculated Property
Cp,gas	1036.29	J/mol×K	1142.82	Joback Calculated Property
η	[0.0000160; 0.0003173]	Pa×s	[523.64; 919.81]
η	0.0003173	Pa×s	523.64	Joback Calculated Property
η	0.0001459	Pa×s	589.67	Joback Calculated Property
η	0.0000784	Pa×s	655.70	Joback Calculated Property
η	0.0000472	Pa×s	721.72	Joback Calculated Property
η	0.0000310	Pa×s	787.75	Joback Calculated Property
η	0.0000217	Pa×s	853.78	Joback Calculated Property
η	0.0000160	Pa×s	919.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 3-phenoxybenzyl propyl 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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