Chemical Properties of 3-Methyl-N-naphthalen-1-yl-benzamide (CAS 96963-49-4)

InChI

InChI=1S/C18H15NO/c1-13-6-4-9-15(12-13)18(20)19-17-11-5-8-14-7-2-3-10-16(14)17/h2-12H,1H3,(H,19,20)

InChI Key

YORPYFLFOLLPND-UHFFFAOYSA-N

Formula

C18H15NO

SMILES

Cc1cccc(C(O)=Nc2cccc3ccccc23)c1

Molecular Weight¹

261.32

CAS

96963-49-4

Other Names

• Benzamide, N-(1-naphthyl)-3-methyl-

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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_c : Critical 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	61.25	kJ/mol	Relay (1.0) Calculated Property
IE	7.75	eV	Relay (1.0) Calculated Property
log10WS	-4.65		Relay (1.0) Calculated Property
logPoct/wat	4.785		Crippen Calculated Property
McVol	209.050	ml/mol	McGowan Calculated Property
Inp	[2603.00; 2603.00]
Inp	2603.00		NIST
Inp	2603.00		NIST
Tboil	680.65	K	Relay (1.0) Calculated Property
Tc	1009.06	K	Relay (1.0) Calculated Property
Tfus	415.13	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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 3-Methyl-N-naphthalen-1-yl-benzamide.

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

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