Chemical Properties of Dimethylmalonic acid, ethyl 2-isopropoxyphenyl ester

InChI

InChI=1S/C16H22O5/c1-6-19-14(17)16(4,5)15(18)21-13-10-8-7-9-12(13)20-11(2)3/h7-11H,6H2,1-5H3

InChI Key

QKPGUWLSJSQVEX-UHFFFAOYSA-N

Formula

C16H22O5

SMILES

CCOC(=O)C(C)(C)C(=O)Oc1ccccc1OC(C)C

Molecular Weight¹

294.35

• 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_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 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	[678.78; 753.83]	J/mol×K	[768.47; 980.68]
Cp,gas	678.78	J/mol×K	768.47	Joback Calculated Property
Cp,gas	694.04	J/mol×K	803.84	Joback Calculated Property
Cp,gas	708.17	J/mol×K	839.21	Joback Calculated Property
Cp,gas	721.20	J/mol×K	874.57	Joback Calculated Property
Cp,gas	733.14	J/mol×K	909.94	Joback Calculated Property
Cp,gas	744.02	J/mol×K	945.31	Joback Calculated Property
Cp,gas	753.83	J/mol×K	980.68	Joback Calculated Property
η	[0.0000534; 0.0006638]	Pa×s	[462.99; 768.47]
η	0.0006638	Pa×s	462.99	Joback Calculated Property
η	0.0003542	Pa×s	513.90	Joback Calculated Property
η	0.0002116	Pa×s	564.82	Joback Calculated Property
η	0.0001377	Pa×s	615.73	Joback Calculated Property
η	0.0000956	Pa×s	666.64	Joback Calculated Property
η	0.0000700	Pa×s	717.56	Joback Calculated Property
η	0.0000534	Pa×s	768.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, ethyl 2-isopropoxyphenyl 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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