Chemical Properties of 2-Phenylbutyramide, N-octadecyl-

InChI

InChI=1S/C28H49NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-29-28(30)27(4-2)26-23-20-19-21-24-26/h19-21,23-24,27H,3-18,22,25H2,1-2H3,(H,29,30)

InChI Key

INQGIWFGVCMUTD-UHFFFAOYSA-N

Formula

C28H49NO

SMILES

CCCCCCCCCCCCCCCCCCN=C(O)C(CC)c1ccccc1

Molecular Weight¹

415.69

• 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	1.2559		Relay (1.0) Calculated Property
ΔfG°	198.40	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-529.61	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	143.36	kJ/mol	Relay (1.0) Calculated Property
IE	8.80	eV	Relay (1.0) Calculated Property
log10WS	-7.96		Relay (1.0) Calculated Property
logPoct/wat	9.398		Crippen Calculated Property
McVol	393.170	ml/mol	McGowan Calculated Property
Pc	782.43	kPa	Joback Calculated Property
Inp	[1348.00; 1348.00]
Inp	1348.00		NIST
Inp	1348.00		NIST
Tboil	693.30	K	Relay (1.0) Calculated Property
Tc	913.32	K	Relay (1.0) Calculated Property
Tfus	385.87	K	Relay (1.0) Calculated Property
Vc	1.454	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-Phenylbutyramide, N-octadecyl-.

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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