Chemical Properties of Benzoic acid, 2-(pentafluoropropionylamino)- (CAS 64995-47-7)

InChI

InChI=1S/C10H6F5NO3/c11-9(12,10(13,14)15)8(19)16-6-4-2-1-3-5(6)7(17)18/h1-4H,(H,16,19)(H,17,18)

InChI Key

ZRZUVSMZTNXVFZ-UHFFFAOYSA-N

Formula

C10H6F5NO3

SMILES

O=C(O)c1ccccc1NC(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

283.15

CAS

64995-47-7

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	32.72	kJ/mol	Joback Calculated Property
ΔvapH°	89.82	kJ/mol	Relay (1.0) Calculated Property
IE	9.24	eV	Relay (1.0) Calculated Property
log10WS	-3.56		Relay (1.0) Calculated Property
logPoct/wat	2.521		Crippen Calculated Property
McVol	155.840	ml/mol	McGowan Calculated Property
Inp	[1544.00; 1544.00]
Inp	1544.00		NIST
Inp	1544.00		NIST
Tfus	416.33	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, Standard Gibbs free energy of formation, Acentric Factor 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	[433.93; 475.08]	J/mol×K	[699.50; 903.12]
Cp,gas	433.93	J/mol×K	699.50	Joback Calculated Property
Cp,gas	442.45	J/mol×K	733.44	Joback Calculated Property
Cp,gas	450.21	J/mol×K	767.37	Joback Calculated Property
Cp,gas	457.28	J/mol×K	801.31	Joback Calculated Property
Cp,gas	463.74	J/mol×K	835.25	Joback Calculated Property
Cp,gas	469.65	J/mol×K	869.19	Joback Calculated Property
Cp,gas	475.08	J/mol×K	903.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 2-(pentafluoropropionylamino)-.

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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