Chemical Properties of Propanamide, N-(4-bromophenyl)-3-phenyl-

InChI

InChI=1S/C15H14BrNO/c16-13-7-9-14(10-8-13)17-15(18)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2,(H,17,18)

InChI Key

HGPWLPIFXDCULJ-UHFFFAOYSA-N

Formula

C15H14BrNO

SMILES

O=C(CCc1ccccc1)Nc1ccc(Br)cc1

Molecular Weight¹

304.18

• 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	0.6520		Relay (1.0) Calculated Property
ΔfG°	265.40	kJ/mol	Joback Calculated Property
ΔfH°gas	7.00	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.28	kJ/mol	Joback Calculated Property
ΔvapH°	99.41	kJ/mol	Relay (1.0) Calculated Property
IE	8.22	eV	Relay (1.0) Calculated Property
log10WS	-4.47		Relay (1.0) Calculated Property
logPoct/wat	4.020		Crippen Calculated Property
McVol	203.740	ml/mol	McGowan Calculated Property
Pc	2871.95	kPa	Joback Calculated Property
Inp	[2423.00; 2423.00]
Inp	2423.00		NIST
Inp	2423.00		NIST
Tboil	645.39	K	Relay (1.0) Calculated Property
Tc	940.06	K	Relay (1.0) Calculated Property
Tfus	392.04	K	Relay (1.0) Calculated Property
Vc	0.714	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[527.37; 592.23]	J/mol×K	[771.14; 1020.43]
Cp,gas	527.37	J/mol×K	771.14	Joback Calculated Property
Cp,gas	540.71	J/mol×K	812.69	Joback Calculated Property
Cp,gas	552.90	J/mol×K	854.24	Joback Calculated Property
Cp,gas	564.05	J/mol×K	895.79	Joback Calculated Property
Cp,gas	574.26	J/mol×K	937.34	Joback Calculated Property
Cp,gas	583.62	J/mol×K	978.88	Joback Calculated Property
Cp,gas	592.23	J/mol×K	1020.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propanamide, N-(4-bromophenyl)-3-phenyl-.

Sources

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

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