Chemical Properties of Benzamide, 2-bromo-N-(2-bromobenzoyl)-N-isobutyl-

InChI

InChI=1S/C18H17Br2NO2/c1-12(2)11-21(17(22)13-7-3-5-9-15(13)19)18(23)14-8-4-6-10-16(14)20/h3-10,12H,11H2,1-2H3

InChI Key

DUHNWGIQJIDONT-UHFFFAOYSA-N

Formula

C18H17Br2NO2

SMILES

CC(C)CN(C(=O)c1ccccc1Br)C(=O)c1ccccc1Br

Molecular Weight¹

439.14

• 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	0.7489		Relay (1.0) Calculated Property
ΔfG°	185.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-202.53	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.95	kJ/mol	Joback Calculated Property
ΔvapH°	100.48	kJ/mol	Relay (1.0) Calculated Property
IE	8.60	eV	Relay (1.0) Calculated Property
log10WS	-5.93		Relay (1.0) Calculated Property
logPoct/wat	5.150		Crippen Calculated Property
McVol	265.080	ml/mol	McGowan Calculated Property
Pc	2393.53	kPa	Joback Calculated Property
Inp	[2665.00; 2665.00]
Inp	2665.00		NIST
Inp	2665.00		NIST
Tboil	677.70	K	Relay (1.0) Calculated Property
Tc	946.00	K	Relay (1.0) Calculated Property
Tfus	376.61	K	Relay (1.0) Calculated Property
Vc	0.914	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[719.80; 778.89]	J/mol×K	[926.62; 1179.53]
Cp,gas	719.80	J/mol×K	926.62	Joback Calculated Property
Cp,gas	731.51	J/mol×K	968.77	Joback Calculated Property
Cp,gas	742.30	J/mol×K	1010.92	Joback Calculated Property
Cp,gas	752.30	J/mol×K	1053.08	Joback Calculated Property
Cp,gas	761.64	J/mol×K	1095.23	Joback Calculated Property
Cp,gas	770.46	J/mol×K	1137.38	Joback Calculated Property
Cp,gas	778.89	J/mol×K	1179.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, 2-bromo-N-(2-bromobenzoyl)-N-isobutyl-.

Sources

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

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