Chemical Properties of 2,3,4,5,6-Pentafluoro-N-(4-methoxyphenyl)benzamide (CAS 297149-72-5)

InChI

InChI=1S/C14H8F5NO2/c1-22-7-4-2-6(3-5-7)20-14(21)8-9(15)11(17)13(19)12(18)10(8)16/h2-5H,1H3,(H,20,21)

InChI Key

HJRCAPVDAKKDQK-UHFFFAOYSA-N

Formula

C14H8F5NO2

SMILES

COc1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1

Molecular Weight¹

317.21

CAS

297149-72-5

Other Names

• Benzamide, N-(4-methoxyphenyl)-2,3,4,5,6-pentafluoro-

• 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	0.7446		Relay (1.0) Calculated Property
ΔfG°	-884.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-903.24	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.05	kJ/mol	Joback Calculated Property
ΔvapH°	88.89	kJ/mol	Relay (1.0) Calculated Property
IE	8.05	eV	Relay (1.0) Calculated Property
log10WS	-6.09		Relay (1.0) Calculated Property
logPoct/wat	3.643		Crippen Calculated Property
McVol	186.870	ml/mol	McGowan Calculated Property
Pc	2151.31	kPa	Joback Calculated Property
Inp	[1960.00; 1960.00]
Inp	1960.00		NIST
Inp	1960.00		NIST
Tboil	611.16	K	Relay (1.0) Calculated Property
Tc	862.36	K	Relay (1.0) Calculated Property
Tfus	416.64	K	Relay (1.0) Calculated Property
Vc	0.678	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[498.61; 552.50]	J/mol×K	[725.77; 925.84]
Cp,gas	498.61	J/mol×K	725.77	Joback Calculated Property
Cp,gas	509.39	J/mol×K	759.12	Joback Calculated Property
Cp,gas	519.43	J/mol×K	792.46	Joback Calculated Property
Cp,gas	528.76	J/mol×K	825.81	Joback Calculated Property
Cp,gas	537.38	J/mol×K	859.15	Joback Calculated Property
Cp,gas	545.29	J/mol×K	892.50	Joback Calculated Property
Cp,gas	552.50	J/mol×K	925.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,3,4,5,6-Pentafluoro-N-(4-methoxyphenyl)benzamide.

Sources

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

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