Chemical Properties of Propanamide, N-(4-fluorophenyl)-2,2,3,3,3-pentafluoro- (CAS 959055-29-9)

InChI

InChI=1S/C9H5F6NO/c10-5-1-3-6(4-2-5)16-7(17)8(11,12)9(13,14)15/h1-4H,(H,16,17)

InChI Key

PBUZXWZWAZFUOL-UHFFFAOYSA-N

Formula

C9H5F6NO

SMILES

O=C(Nc1ccc(F)cc1)C(F)(F)C(F)(F)F

Molecular Weight¹

257.13

CAS

959055-29-9

• ω : Acentric Factor.
• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4942		Relay (... Calculated Property
ΔfG°	-1075.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-1335.25	kJ/mol	Relay (... Calculated Property
ΔfusH°	23.07	kJ/mol	Joback Calculated Property
ΔvapH°	64.03	kJ/mol	Relay (... Calculated Property
IE	8.99	eV	Relay (... Calculated Property
log10WS	-3.56		Relay (... Calculated Property
logPoct/wat	2.962		Crippen Calculated Property
McVol	136.080	ml/mol	McGowan Calculated Property
Pc	2707.03	kPa	Joback Calculated Property
Inp	[885.00; 885.00]
Inp	885.00		NIST
Inp	885.00		NIST
Tboil	471.05	K	Relay (... Calculated Property
Tc	651.85	K	Relay (... Calculated Property
Tfus	333.63	K	Relay (... Calculated Property
Vc	0.482	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[334.81; 388.42]	J/mol×K	[530.18; 714.58]
Cp,gas	334.81	J/mol×K	530.18	Joback Calculated Property
Cp,gas	345.65	J/mol×K	560.91	Joback Calculated Property
Cp,gas	355.67	J/mol×K	591.65	Joback Calculated Property
Cp,gas	364.91	J/mol×K	622.38	Joback Calculated Property
Cp,gas	373.41	J/mol×K	653.11	Joback Calculated Property
Cp,gas	381.23	J/mol×K	683.84	Joback Calculated Property
Cp,gas	388.42	J/mol×K	714.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propanamide, N-(4-fluorophenyl)-2,2,3,3,3-pentafluoro-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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