Chemical Properties of N-benzylpalmitamide (CAS 74058-71-2)

InChI

InChI=1S/C23H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23(25)24-21-22-18-15-14-16-19-22/h14-16,18-19H,2-13,17,20-21H2,1H3,(H,24,25)

InChI Key

MLGPKWUKOQAAGI-UHFFFAOYSA-N

Formula

C23H39NO

SMILES

CCCCCCCCCCCCCCCC(O)=NCc1ccccc1

Molecular Weight¹

345.56

CAS

74058-71-2

• 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	1.1413		Relay (1.0) Calculated Property
ΔfG°	177.05	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-410.62	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	139.93	kJ/mol	Relay (1.0) Calculated Property
IE	9.00	eV	Relay (1.0) Calculated Property
log10WS	-6.74		Relay (1.0) Calculated Property
logPoct/wat	7.624		Crippen Calculated Property
McVol	322.720	ml/mol	McGowan Calculated Property
Pc	1038.57	kPa	Joback Calculated Property
Inp	[2880.20; 2880.20]
Inp	2880.20		NIST
Inp	2880.20		NIST
Tboil	667.40	K	Relay (1.0) Calculated Property
Tc	875.91	K	Relay (1.0) Calculated Property
Tfus	368.25 ± 0.50	K	NIST
Vc	1.211	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to N-benzylpalmitamide.

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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