Chemical Properties of N-(2'-phenylethyl)propionamide

InChI

InChI=1S/C11H15NO/c1-2-11(13)12-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,12,13)

InChI Key

IABUULYQQIHCIL-UHFFFAOYSA-N

Formula

C11H15NO

SMILES

CCC(=O)NCCc1ccccc1

Molecular Weight¹

177.25

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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 : 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	0.5588		Relay (1.0) Calculated Property
ΔfG°	114.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-167.22	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.99	kJ/mol	Joback Calculated Property
ΔvapH°	76.49	kJ/mol	Relay (1.0) Calculated Property
IE	8.96	eV	Relay (1.0) Calculated Property
log10WS	-1.51		Relay (1.0) Calculated Property
logPoct/wat	1.755		Crippen Calculated Property
McVol	153.640	ml/mol	McGowan Calculated Property
Pc	2868.87	kPa	Joback Calculated Property
I	[2587.00; 2587.00]
I	2587.00		NIST
I	2587.00		NIST
Tboil	556.91	K	Relay (1.0) Calculated Property
Tc	774.62	K	Relay (1.0) Calculated Property
Tfus	294.01	K	Relay (1.0) Calculated Property
Vc	0.561	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[371.18; 445.98]	J/mol×K	[581.80; 793.35]
Cp,gas	371.18	J/mol×K	581.80	Joback Calculated Property
Cp,gas	385.78	J/mol×K	617.06	Joback Calculated Property
Cp,gas	399.48	J/mol×K	652.32	Joback Calculated Property
Cp,gas	412.31	J/mol×K	687.58	Joback Calculated Property
Cp,gas	424.31	J/mol×K	722.84	Joback Calculated Property
Cp,gas	435.52	J/mol×K	758.09	Joback Calculated Property
Cp,gas	445.98	J/mol×K	793.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to N-(2'-phenylethyl)propionamide.

Sources

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

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