Chemical Properties of Dimethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl pentyl ester

InChI

InChI=1S/C17H20F4O4/c1-4-5-6-10-24-14(22)16(2,3)15(23)25-12-9-7-8-11(13(12)18)17(19,20)21/h7-9H,4-6,10H2,1-3H3

InChI Key

RFUKWHMVNPHKTF-UHFFFAOYSA-N

Formula

C17H20F4O4

SMILES

CCCCCOC(=O)C(C)(C)C(=O)Oc1cccc(C(F)(F)F)c1F

Molecular Weight¹

364.33

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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	[737.95; 807.26]	J/mol×K	[768.20; 960.27]
Cp,gas	737.95	J/mol×K	768.20	Joback Calculated Property
Cp,gas	751.69	J/mol×K	800.21	Joback Calculated Property
Cp,gas	764.51	J/mol×K	832.22	Joback Calculated Property
Cp,gas	776.43	J/mol×K	864.23	Joback Calculated Property
Cp,gas	787.51	J/mol×K	896.25	Joback Calculated Property
Cp,gas	797.77	J/mol×K	928.26	Joback Calculated Property
Cp,gas	807.26	J/mol×K	960.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl pentyl 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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