Chemical Properties of Diethylmalonic acid, 2,3-dimethylphenyl propyl ester

InChI

InChI=1S/C18H26O4/c1-6-12-21-16(19)18(7-2,8-3)17(20)22-15-11-9-10-13(4)14(15)5/h9-11H,6-8,12H2,1-5H3

InChI Key

JNYRZXYWJMQSEI-UHFFFAOYSA-N

Formula

C18H26O4

SMILES

CCCOC(=O)C(CC)(CC)C(=O)Oc1cccc(C)c1C

Molecular Weight¹

306.40

• 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	[750.19; 830.90]	J/mol×K	[761.29; 964.57]
Cp,gas	750.19	J/mol×K	761.29	Joback Calculated Property
Cp,gas	766.46	J/mol×K	795.17	Joback Calculated Property
Cp,gas	781.56	J/mol×K	829.05	Joback Calculated Property
Cp,gas	795.52	J/mol×K	862.93	Joback Calculated Property
Cp,gas	808.38	J/mol×K	896.81	Joback Calculated Property
Cp,gas	820.16	J/mol×K	930.69	Joback Calculated Property
Cp,gas	830.90	J/mol×K	964.57	Joback Calculated Property
η	[0.0000463; 0.0009058]	Pa×s	[431.16; 761.29]
η	0.0009058	Pa×s	431.16	Joback Calculated Property
η	0.0004169	Pa×s	486.18	Joback Calculated Property
η	0.0002247	Pa×s	541.20	Joback Calculated Property
η	0.0001357	Pa×s	596.23	Joback Calculated Property
η	0.0000893	Pa×s	651.25	Joback Calculated Property
η	0.0000627	Pa×s	706.27	Joback Calculated Property
η	0.0000463	Pa×s	761.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2,3-dimethylphenyl 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

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