Chemical Properties of N-benzylstearamide (CAS 5327-45-7)

InChI

InChI=1S/C25H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(27)26-23-24-20-17-16-18-21-24/h16-18,20-21H,2-15,19,22-23H2,1H3,(H,26,27)

InChI Key

IXODJGLAVBPVSW-UHFFFAOYSA-N

Formula

C25H43NO

SMILES

CCCCCCCCCCCCCCCCCC(O)=NCc1ccccc1

Molecular Weight¹

373.62

CAS

5327-45-7

• 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	1.2125		Relay (1.0) Calculated Property
ΔfG°	191.75	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-453.42	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	148.55	kJ/mol	Relay (1.0) Calculated Property
IE	9.08	eV	Relay (1.0) Calculated Property
log10WS	-7.36		Relay (1.0) Calculated Property
logPoct/wat	8.405		Crippen Calculated Property
McVol	350.900	ml/mol	McGowan Calculated Property
Pc	921.06	kPa	Joback Calculated Property
Inp	[3087.10; 3100.60]
Inp	3087.10		NIST
Inp	3100.60		NIST
Inp	3087.10		NIST
Tboil	680.46	K	Relay (1.0) Calculated Property
Tc	889.41	K	Relay (1.0) Calculated Property
Tfus	372.35 ± 0.50	K	NIST
Vc	1.320	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to N-benzylstearamide.

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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