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	[727.41; 798.22]	J/mol×K	[732.26; 919.54]
Cp,gas	727.41	J/mol×K	732.26	Joback Calculated Property
Cp,gas	741.60	J/mol×K	763.47	Joback Calculated Property
Cp,gas	754.78	J/mol×K	794.69	Joback Calculated Property
Cp,gas	766.99	J/mol×K	825.90	Joback Calculated Property
Cp,gas	778.27	J/mol×K	857.12	Joback Calculated Property
Cp,gas	788.67	J/mol×K	888.33	Joback Calculated Property
Cp,gas	798.22	J/mol×K	919.54	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

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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