Chemical Properties of Methyl 2-(N-pentafluoropropionylamino)benzoate

InChI

InChI=1S/C11H8F5NO3/c1-20-8(18)6-4-2-3-5-7(6)17-9(19)10(12,13)11(14,15)16/h2-5H,1H3,(H,17,19)

InChI Key

WQHFQGJRFWCNTG-UHFFFAOYSA-N

Formula

C11H8F5NO3

SMILES

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

Molecular Weight¹

297.18

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1513.93	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.54	kJ/mol	Joback Calculated Property
IE	9.04	eV	Relay (1.0) Calculated Property
log10WS	-3.93		Relay (1.0) Calculated Property
logPoct/wat	2.609		Crippen Calculated Property
McVol	169.930	ml/mol	McGowan Calculated Property
Pc	2347.36	kPa	Joback Calculated Property
Inp	[1411.00; 1411.00]
Inp	1411.00		NIST
Inp	1411.00		NIST
Tboil	521.98	K	Relay (1.0) Calculated Property
Tc	717.85	K	Relay (1.0) Calculated Property
Tfus	342.98	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of vaporization 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	[455.32; 509.26]	J/mol×K	[635.09; 827.69]
Cp,gas	455.32	J/mol×K	635.09	Joback Calculated Property
Cp,gas	466.35	J/mol×K	667.19	Joback Calculated Property
Cp,gas	476.50	J/mol×K	699.29	Joback Calculated Property
Cp,gas	485.82	J/mol×K	731.39	Joback Calculated Property
Cp,gas	494.36	J/mol×K	763.49	Joback Calculated Property
Cp,gas	502.16	J/mol×K	795.59	Joback Calculated Property
Cp,gas	509.26	J/mol×K	827.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to Methyl 2-(N-pentafluoropropionylamino)benzoate.

Sources

• Cheméo Relay (1.0)
• 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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