Chemical Properties of N-(4-Bromophenyl)-2,3,4,5,6-pentafluorobenzamide (CAS 63462-61-3)

InChI

InChI=1S/C13H5BrF5NO/c14-5-1-3-6(4-2-5)20-13(21)7-8(15)10(17)12(19)11(18)9(7)16/h1-4H,(H,20,21)

InChI Key

IDWYRSRIRSQVBS-UHFFFAOYSA-N

Formula

C13H5BrF5NO

SMILES

O=C(Nc1ccc(Br)cc1)c1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

366.08

CAS

63462-61-3

Other Names

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

• 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°	-773.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-920.74	kJ/mol	Joback Calculated Property
ΔfusH°	42.56	kJ/mol	Joback Calculated Property
ΔvapH°	68.59	kJ/mol	Joback Calculated Property
log10WS	-6.27		Crippen Calculated Property
logPoct/wat	4.397		Crippen Calculated Property
McVol	184.410	ml/mol	McGowan Calculated Property
Pc	2566.29	kPa	Joback Calculated Property
Inp	[2019.00; 2019.00]
Inp	2019.00		NIST
Inp	2019.00		NIST
Tboil	746.63	K	Joback Calculated Property
Tc	960.66	K	Joback Calculated Property
Tfus	529.57	K	Joback Calculated Property
Vc	0.741	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[454.49; 499.16]	J/mol×K	[746.63; 960.66]
Cp,gas	454.49	J/mol×K	746.63	Joback Calculated Property
Cp,gas	463.57	J/mol×K	782.30	Joback Calculated Property
Cp,gas	471.95	J/mol×K	817.97	Joback Calculated Property
Cp,gas	479.67	J/mol×K	853.65	Joback Calculated Property
Cp,gas	486.76	J/mol×K	889.32	Joback Calculated Property
Cp,gas	493.25	J/mol×K	924.99	Joback Calculated Property
Cp,gas	499.16	J/mol×K	960.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to N-(4-Bromophenyl)-2,3,4,5,6-pentafluorobenzamide.

Sources

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

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