Chemical Properties of Benzamide, 2-bromo-N-(2-bromobenzoyl)-N-(3-methylbutyl)-

InChI

InChI=1S/C19H19Br2NO2/c1-13(2)11-12-22(18(23)14-7-3-5-9-16(14)20)19(24)15-8-4-6-10-17(15)21/h3-10,13H,11-12H2,1-2H3

InChI Key

CHZOVBDEBYJQCV-UHFFFAOYSA-N

Formula

C19H19Br2NO2

SMILES

CC(C)CCN(C(=O)c1ccccc1Br)C(=O)c1ccccc1Br

Molecular Weight¹

453.17

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-220.53	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.54	kJ/mol	Joback Calculated Property
logPoct/wat	5.540		Crippen Calculated Property
McVol	279.170	ml/mol	McGowan Calculated Property
Inp	[2753.00; 2753.00]
Inp	2753.00		NIST
Inp	2753.00		NIST
Tboil	688.61	K	Relay (1.0) Calculated Property
Tfus	365.42	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[776.77; 838.04]	J/mol×K	[949.70; 1199.26]
Cp,gas	776.77	J/mol×K	949.70	Joback Calculated Property
Cp,gas	788.78	J/mol×K	991.29	Joback Calculated Property
Cp,gas	799.89	J/mol×K	1032.89	Joback Calculated Property
Cp,gas	810.24	J/mol×K	1074.48	Joback Calculated Property
Cp,gas	819.96	J/mol×K	1116.07	Joback Calculated Property
Cp,gas	829.18	J/mol×K	1157.67	Joback Calculated Property
Cp,gas	838.04	J/mol×K	1199.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, 2-bromo-N-(2-bromobenzoyl)-N-(3-methylbutyl)-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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