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

InChI

InChI=1S/C17H26BrNO/c1-4-7-10-14(5-2)13-19(6-3)17(20)15-11-8-9-12-16(15)18/h8-9,11-12,14H,4-7,10,13H2,1-3H3

InChI Key

ONNNJHKMWSCUBD-UHFFFAOYSA-N

Formula

C17H26BrNO

SMILES

CCCCC(CC)CN(CC)C(=O)c1ccccc1Br

Molecular Weight¹

340.30

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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
ΔfusH°	39.82	kJ/mol	Joback Calculated Property
log10WS	-5.50		Relay (1.0) Calculated Property
logPoct/wat	5.128		Crippen Calculated Property
McVol	255.680	ml/mol	McGowan Calculated Property
Pc	1741.91	kPa	Joback Calculated Property
Inp	[2309.00; 2309.00]
Inp	2309.00		NIST
Inp	2309.00		NIST
Tboil	632.31	K	Relay (1.0) Calculated Property
Tfus	265.12	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, 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	[341.52; 811.47]	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			-2.89940e+01
Coefficient B			1.62046e+00
Coefficient C			-1.03366e-03
Coefficient D			2.53660e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	341.52	J/mol×K	273.00	Calculated Property
Cp,gas	426.15	J/mol×K	353.78	Calculated Property
Cp,gas	500.81	J/mol×K	434.56	Calculated Property
Cp,gas	566.29	J/mol×K	515.33	Calculated Property
Cp,gas	623.40	J/mol×K	596.11	Calculated Property
Cp,gas	672.95	J/mol×K	676.89	Calculated Property
Cp,gas	715.72	J/mol×K	757.67	Calculated Property
Cp,gas	752.53	J/mol×K	838.44	Calculated Property
Cp,gas	784.18	J/mol×K	919.22	Calculated Property
Cp,gas	811.47	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

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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