Chemical Properties of Benzoic acid, 4-(heptafluorobutyrylamino)-

InChI

InChI=1S/C11H6F7NO3/c12-9(13,10(14,15)11(16,17)18)8(22)19-6-3-1-5(2-4-6)7(20)21/h1-4H,(H,19,22)(H,20,21)

InChI Key

QCHWYLKDUSWZMO-UHFFFAOYSA-N

Formula

C11H6F7NO3

SMILES

O=C(O)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1

Molecular Weight¹

333.16

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	34.06	kJ/mol	Joback Calculated Property
IE	9.29	eV	Relay (1.0) Calculated Property
logPoct/wat	3.156		Crippen Calculated Property
McVol	173.470	ml/mol	McGowan Calculated Property
Inp	[1773.00; 1773.00]
Inp	1773.00		NIST
Inp	1773.00		NIST
Tfus	413.15	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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, 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	[502.51; 543.02]	J/mol×K	[717.69; 913.58]
Cp,gas	502.51	J/mol×K	717.69	Joback Calculated Property
Cp,gas	510.90	J/mol×K	750.34	Joback Calculated Property
Cp,gas	518.53	J/mol×K	782.99	Joback Calculated Property
Cp,gas	525.46	J/mol×K	815.63	Joback Calculated Property
Cp,gas	531.80	J/mol×K	848.28	Joback Calculated Property
Cp,gas	537.63	J/mol×K	880.93	Joback Calculated Property
Cp,gas	543.02	J/mol×K	913.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 4-(heptafluorobutyrylamino)-.

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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