Chemical Properties of N-Benzyloleamide (CAS 101762-87-2)

InChI

InChI=1S/C25H41NO/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/h9-10,16-18,20-21H,2-8,11-15,19,22-23H2,1H3,(H,26,27)/b10-9-

InChI Key

QHXGFOCPQQADIF-KTKRTIGZSA-N

Formula

C25H41NO

SMILES

CCCCCCCCC=CCCCCCCCC(O)=NCc1ccccc1

Molecular Weight¹

371.60

CAS

101762-87-2

• 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	1.1312		Relay (1.0) Calculated Property
ΔfG°	239.32	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-392.41	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	147.56	kJ/mol	Relay (1.0) Calculated Property
IE	8.60	eV	Relay (1.0) Calculated Property
log10WS	-6.86		Relay (1.0) Calculated Property
logPoct/wat	8.181		Crippen Calculated Property
McVol	346.600	ml/mol	McGowan Calculated Property
Pc	950.84	kPa	Joback Calculated Property
Inp	[3076.80; 3076.80]
Inp	3076.80		NIST
Inp	3076.80		NIST
Tboil	685.31	K	Relay (1.0) Calculated Property
Tc	892.83	K	Relay (1.0) Calculated Property
Tfus	357.65	K	Relay (1.0) Calculated Property
Vc	1.263	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to N-Benzyloleamide.

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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