Chemical Properties of Pentanamide, N-ethyl-N-(3-methylphenyl)-5-bromo-

InChI

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

InChI Key

ZOXDCCDXZLUKBW-UHFFFAOYSA-N

Formula

C14H20BrNO

SMILES

CCN(C(=O)CCCCBr)c1cccc(C)c1

Molecular Weight¹

298.22

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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	[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 Pentanamide, N-ethyl-N-(3-methylphenyl)-5-bromo-.

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.
These property values are available through the Cheméo API. A free account gives you an access key.