Chemical Properties of 3,4-Difluorobenzoic acid, neopentyl ester

InChI

InChI=1S/C12H14F2O2/c1-12(2,3)7-16-11(15)8-4-5-9(13)10(14)6-8/h4-6H,7H2,1-3H3

InChI Key

COXAIHRRWNVVKY-UHFFFAOYSA-N

Formula

C12H14F2O2

SMILES

CC(C)(C)COC(=O)c1ccc(F)c(F)c1

Molecular Weight¹

228.24

• 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).
• 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, 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	[413.12; 485.68]	J/mol×K	[582.20; 782.68]
Cp,gas	413.12	J/mol×K	582.20	Joback Calculated Property
Cp,gas	427.17	J/mol×K	615.61	Joback Calculated Property
Cp,gas	440.40	J/mol×K	649.03	Joback Calculated Property
Cp,gas	452.84	J/mol×K	682.44	Joback Calculated Property
Cp,gas	464.51	J/mol×K	715.85	Joback Calculated Property
Cp,gas	475.45	J/mol×K	749.27	Joback Calculated Property
Cp,gas	485.68	J/mol×K	782.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,4-Difluorobenzoic acid, neopentyl 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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