Chemical Properties of Propanamide, 3-phenyl-N-isobutyl-

InChI

InChI=1S/C13H19NO/c1-11(2)10-14-13(15)9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,14,15)

InChI Key

FNZAYDHBHNUHIQ-UHFFFAOYSA-N

Formula

C13H19NO

SMILES

CC(C)CN=C(O)CCc1ccccc1

Molecular Weight¹

205.30

• ω : Acentric Factor.
• 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	0.7330		Relay (1.0) Calculated Property
ΔfH°gas	-210.64	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	96.05	kJ/mol	Relay (1.0) Calculated Property
IE	8.66	eV	Relay (1.0) Calculated Property
log10WS	-3.05		Relay (1.0) Calculated Property
logPoct/wat	3.232		Crippen Calculated Property
McVol	181.820	ml/mol	McGowan Calculated Property
Pc	2193.84	kPa	Joback Calculated Property
Inp	[1770.00; 1770.00]
Inp	1770.00		NIST
Inp	1770.00		NIST
Tboil	586.01	K	Relay (1.0) Calculated Property
Tc	783.91	K	Relay (1.0) Calculated Property
Tfus	343.42	K	Relay (1.0) Calculated Property
Vc	0.653	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Similar Compounds

Find more compounds similar to Propanamide, 3-phenyl-N-isobutyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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