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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-1137.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-1346.64	kJ/mol	Joback Calculated Property
ΔfusH°	28.27	kJ/mol	Joback Calculated Property
ΔvapH°	70.72	kJ/mol	Joback Calculated Property
log10WS	-3.13		Crippen Calculated Property
logPoct/wat	2.521		Crippen Calculated Property
McVol	155.840	ml/mol	McGowan Calculated Property
Pc	3025.61	kPa	Joback Calculated Property
Inp	[1544.00; 1544.00]
Inp	1544.00		NIST
Inp	1544.00		NIST
Tboil	699.84	K	Joback Calculated Property
Tc	889.23	K	Joback Calculated Property
Tfus	462.53	K	Joback Calculated Property
Vc	0.622	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[431.20; 470.12]	J/mol×K	[699.84; 889.23]
Cp,gas	431.20	J/mol×K	699.84	Joback Calculated Property
Cp,gas	439.17	J/mol×K	731.41	Joback Calculated Property
Cp,gas	446.47	J/mol×K	762.97	Joback Calculated Property
Cp,gas	453.16	J/mol×K	794.54	Joback Calculated Property
Cp,gas	459.30	J/mol×K	826.10	Joback Calculated Property
Cp,gas	464.94	J/mol×K	857.67	Joback Calculated Property
Cp,gas	470.12	J/mol×K	889.23	Joback Calculated Property

Similar Compounds

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

Sources

• 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.