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

InChI

InChI=1S/C17H15Br2NO2/c1-2-11-20(16(21)12-7-3-5-9-14(12)18)17(22)13-8-4-6-10-15(13)19/h3-10H,2,11H2,1H3

InChI Key

YBOHFNJJBGOLEY-UHFFFAOYSA-N

Formula

C17H15Br2NO2

SMILES

CCCN(C(=O)c1ccccc1Br)C(=O)c1ccccc1Br

Molecular Weight¹

425.12

• 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	-160.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.88	kJ/mol	Joback Calculated Property
logPoct/wat	4.904		Crippen Calculated Property
McVol	250.990	ml/mol	McGowan Calculated Property
Inp	[2621.00; 2621.00]
Inp	2621.00		NIST
Inp	2621.00		NIST
Tboil	677.04	K	Relay (1.0) Calculated Property
Tfus	363.75	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[302.03; 687.45]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.13680e+01
Coefficient B			1.48632e+00
Coefficient C			-1.04732e-03
Coefficient D			2.79820e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	302.03	J/mol×K	273.00	Calculated Property
Cp,gas	375.77	J/mol×K	353.78	Calculated Property
Cp,gas	439.71	J/mol×K	434.56	Calculated Property
Cp,gas	494.74	J/mol×K	515.33	Calculated Property
Cp,gas	541.75	J/mol×K	596.11	Calculated Property
Cp,gas	581.63	J/mol×K	676.89	Calculated Property
Cp,gas	615.25	J/mol×K	757.67	Calculated Property
Cp,gas	643.50	J/mol×K	838.44	Calculated Property
Cp,gas	667.28	J/mol×K	919.22	Calculated Property
Cp,gas	687.45	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

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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