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

InChI

InChI=1S/C18H28BrNO/c1-3-5-6-7-8-9-12-15-20(4-2)18(21)16-13-10-11-14-17(16)19/h10-11,13-14H,3-9,12,15H2,1-2H3

InChI Key

KYKFFIIHAAAQRQ-UHFFFAOYSA-N

Formula

C18H28BrNO

SMILES

CCCCCCCCCN(CC)C(=O)c1ccccc1Br

Molecular Weight¹

354.32

• 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°	45.93	kJ/mol	Joback Calculated Property
ΔvapH°	95.71	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.05		Relay (1.0) Calculated Property
logPoct/wat	5.662		Crippen Calculated Property
McVol	269.770	ml/mol	McGowan Calculated Property
Pc	1600.00	kPa	Joback Calculated Property
Inp	[2627.00; 2627.00]
Inp	2627.00		NIST
Inp	2627.00		NIST
Tboil	639.87	K	Relay (1.0) Calculated Property
Tfus	287.53	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	[363.04; 862.52]	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			-2.82210e+01
Coefficient B			1.70954e+00
Coefficient C			-1.08486e-03
Coefficient D			2.66060e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	363.04	J/mol×K	273.00	Calculated Property
Cp,gas	452.58	J/mol×K	353.78	Calculated Property
Cp,gas	531.64	J/mol×K	434.56	Calculated Property
Cp,gas	601.07	J/mol×K	515.33	Calculated Property
Cp,gas	661.71	J/mol×K	596.11	Calculated Property
Cp,gas	714.40	J/mol×K	676.89	Calculated Property
Cp,gas	759.99	J/mol×K	757.67	Calculated Property
Cp,gas	799.31	J/mol×K	838.44	Calculated Property
Cp,gas	833.21	J/mol×K	919.22	Calculated Property
Cp,gas	862.52	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

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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