Chemical Properties of Benzoic acid, 4-(pentafluoropropionylamino)- (CAS 882828-33-3)

InChI

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

InChI Key

ZQDHKYUQWHFJRN-UHFFFAOYSA-N

Formula

C10H6F5NO3

SMILES

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

Molecular Weight¹

283.15

CAS

882828-33-3

• 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	[1630.00; 1630.00]
Inp	1630.00		NIST
Inp	1630.00		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, 4-(pentafluoropropionylamino)-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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