Chemical Properties of N-Benzylbenzamide (CAS 1485-70-7)

InChI

InChI=1S/C14H13NO/c16-14(13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1-10H,11H2,(H,15,16)

InChI Key

LKQUCICFTHBFAL-UHFFFAOYSA-N

Formula

C14H13NO

SMILES

OC(=NCc1ccccc1)c1ccccc1

Molecular Weight¹

211.26

CAS

1485-70-7

Other Names

• Benzamide, N-(phenylmethyl)-
• Benzamide, N-benzyl-

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.7141		Relay (1.0) Calculated Property
ΔfG°	210.90	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	33.59	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	109.29	kJ/mol	Relay (1.0) Calculated Property
IE	8.65	eV	Relay (1.0) Calculated Property
log10WS	-3.11		Relay (1.0) Calculated Property
logPoct/wat	3.191		Crippen Calculated Property
McVol	172.150	ml/mol	McGowan Calculated Property
Pc	2746.90	kPa	Joback Calculated Property
Inp	[2039.40; 2039.40]
Inp	2039.40		NIST
Inp	2039.40		NIST
Tboil	617.12	K	Relay (1.0) Calculated Property
Tc	895.61	K	Relay (1.0) Calculated Property
Tfus	393.97	K	Relay (1.0) Calculated Property
Vc	0.618	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to N-Benzylbenzamide.

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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