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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[198.69; 494.21]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.48670e+01
Coefficient B			1.01812e+00
Coefficient C			-6.35700e-04
Coefficient D			1.46660e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	198.69	J/mol×K	273.00	Calculated Property
Cp,gas	252.25	J/mol×K	353.78	Calculated Property
Cp,gas	299.55	J/mol×K	434.56	Calculated Property
Cp,gas	341.05	J/mol×K	515.33	Calculated Property
Cp,gas	377.22	J/mol×K	596.11	Calculated Property
Cp,gas	408.51	J/mol×K	676.89	Calculated Property
Cp,gas	435.39	J/mol×K	757.67	Calculated Property
Cp,gas	458.32	J/mol×K	838.44	Calculated Property
Cp,gas	477.78	J/mol×K	919.22	Calculated Property
Cp,gas	494.21	J/mol×K	1000.00	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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