Chemical Properties of N-(3-Methoxybenzyl)palmitamide (CAS 847361-96-0)

InChI

InChI=1S/C24H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24(26)25-21-22-17-16-18-23(20-22)27-2/h16-18,20H,3-15,19,21H2,1-2H3,(H,25,26)

InChI Key

FIQGQTITXPTKIY-UHFFFAOYSA-N

Formula

C24H41NO2

SMILES

CCCCCCCCCCCCCCCC(O)=NCc1cccc(OC)c1

Molecular Weight¹

375.59

CAS

847361-96-0

• 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	1.2206		Relay (1.0) Calculated Property
ΔfG°	85.86	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-549.13	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	146.60	kJ/mol	Relay (1.0) Calculated Property
IE	8.56	eV	Relay (1.0) Calculated Property
log10WS	-6.88		Relay (1.0) Calculated Property
logPoct/wat	7.633		Crippen Calculated Property
McVol	342.680	ml/mol	McGowan Calculated Property
Pc	957.91	kPa	Joback Calculated Property
Inp	[3105.40; 3105.40]
Inp	3105.40		NIST
Inp	3105.40		NIST
Tboil	687.27	K	Relay (1.0) Calculated Property
Tc	891.42	K	Relay (1.0) Calculated Property
Tfus	370.29	K	Relay (1.0) Calculated Property
Vc	1.281	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to N-(3-Methoxybenzyl)palmitamide.

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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