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

InChI

InChI=1S/C21H34BrNO/c1-3-5-6-7-8-9-10-11-12-15-18-23(4-2)21(24)19-16-13-14-17-20(19)22/h13-14,16-17H,3-12,15,18H2,1-2H3

InChI Key

CXOPPVRTXKOIOO-UHFFFAOYSA-N

Formula

C21H34BrNO

SMILES

CCCCCCCCCCCCN(CC)C(=O)c1ccccc1Br

Molecular Weight¹

396.40

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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
ΔfusH°	53.70	kJ/mol	Joback Calculated Property
ΔvapH°	107.93	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.93		Relay (1.0) Calculated Property
logPoct/wat	6.832		Crippen Calculated Property
McVol	312.040	ml/mol	McGowan Calculated Property
Pc	1286.51	kPa	Joback Calculated Property
Inp	[3162.00; 3162.00]
Inp	3162.00		NIST
Inp	3162.00		NIST
Tboil	660.24	K	Relay (1.0) Calculated Property
Tfus	296.94	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation 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	[426.68; 1017.29]	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			-3.09480e+01
Coefficient B			1.99454e+00
Coefficient C			-1.24806e-03
Coefficient D			3.01760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	426.68	J/mol×K	273.00	Calculated Property
Cp,gas	531.83	J/mol×K	353.78	Calculated Property
Cp,gas	624.87	J/mol×K	434.56	Calculated Property
Cp,gas	706.76	J/mol×K	515.33	Calculated Property
Cp,gas	778.44	J/mol×K	596.11	Calculated Property
Cp,gas	840.89	J/mol×K	676.89	Calculated Property
Cp,gas	895.04	J/mol×K	757.67	Calculated Property
Cp,gas	941.85	J/mol×K	838.44	Calculated Property
Cp,gas	982.29	J/mol×K	919.22	Calculated Property
Cp,gas	1017.29	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

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.
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