Chemical Properties of Benzamide, 2-bromo-N-ethyl-N-pentyl-

InChI

InChI=1S/C14H20BrNO/c1-3-5-8-11-16(4-2)14(17)12-9-6-7-10-13(12)15/h6-7,9-10H,3-5,8,11H2,1-2H3

InChI Key

FQNDEBMOFIPTQX-UHFFFAOYSA-N

Formula

C14H20BrNO

SMILES

CCCCCN(CC)C(=O)c1ccccc1Br

Molecular Weight¹

298.22

• 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).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-194.38	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.57	kJ/mol	Joback Calculated Property
log10WS	-4.61		Relay (1.0) Calculated Property
logPoct/wat	4.101		Crippen Calculated Property
McVol	213.410	ml/mol	McGowan Calculated Property
Pc	2233.41	kPa	Joback Calculated Property
Inp	[2206.00; 2206.00]
Inp	2206.00		NIST
Inp	2206.00		NIST
Tboil	611.01	K	Relay (1.0) Calculated Property
Tfus	278.02	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[278.19; 656.15]	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			-2.45850e+01
Coefficient B			1.32954e+00
Coefficient C			-8.67260e-04
Coefficient D			2.18460e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	278.19	J/mol×K	273.00	Calculated Property
Cp,gas	346.90	J/mol×K	353.78	Calculated Property
Cp,gas	407.33	J/mol×K	434.56	Calculated Property
Cp,gas	460.15	J/mol×K	515.33	Calculated Property
Cp,gas	506.06	J/mol×K	596.11	Calculated Property
Cp,gas	545.76	J/mol×K	676.89	Calculated Property
Cp,gas	579.92	J/mol×K	757.67	Calculated Property
Cp,gas	609.25	J/mol×K	838.44	Calculated Property
Cp,gas	634.43	J/mol×K	919.22	Calculated Property
Cp,gas	656.15	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, 2-bromo-N-ethyl-N-pentyl-.

Sources

• Cheméo Relay (1.0)
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.