Chemical Properties of Benzamide, 3-bromo-N-tetradecyl-

InChI

InChI=1S/C21H34BrNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-23-21(24)19-15-14-16-20(22)18-19/h14-16,18H,2-13,17H2,1H3,(H,23,24)

InChI Key

NTXFVQBNSHPVDW-UHFFFAOYSA-N

Formula

C21H34BrNO

SMILES

CCCCCCCCCCCCCCN=C(O)c1cccc(Br)c1

Molecular Weight¹

396.40

• Δ_fH°_gas : Enthalpy of formation 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.
• 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	-393.68	kJ/mol	Relay (1.0) Calculated Property
IE	9.03	eV	Relay (1.0) Calculated Property
logPoct/wat	7.455		Crippen Calculated Property
McVol	312.040	ml/mol	McGowan Calculated Property
Inp	[3020.00; 3020.00]
Inp	3020.00		NIST
Inp	3020.00		NIST
Tboil	679.65	K	Relay (1.0) Calculated Property
Tfus	351.67	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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.

Similar Compounds

Find more compounds similar to Benzamide, 3-bromo-N-tetradecyl-.

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.
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