Chemical Properties of Phenylpropanamide (CAS 102-93-2)

InChI

InChI=1S/C9H11NO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11)

InChI Key

VYIBCOSBNVFEIW-UHFFFAOYSA-N

Formula

C9H11NO

SMILES

N=C(O)CCc1ccccc1

Molecular Weight¹

149.19

CAS

102-93-2

Other Names

• 3-Phenylpropionamide
• «beta»-Phenylpropionamide
• Benzenepropanamide
• Hydrocinnamamide
• 3-Phenylpropanamide
• Amide hydrocinnamique

• 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_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	0.7296		Relay (1.0) Calculated Property
ΔfG°	204.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-135.50	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	84.75	kJ/mol	Relay (1.0) Calculated Property
IE	8.85	eV	Relay (1.0) Calculated Property
log10WS	-1.42		Relay (1.0) Calculated Property
logPoct/wat	2.154		Crippen Calculated Property
McVol	125.460	ml/mol	McGowan Calculated Property
Pc	4112.45	kPa	Relay (1.0-beta) Calculated Property
Inp	[1528.40; 1528.40]
Inp	1528.40		NIST
Inp	1528.40		NIST
Tboil	558.15	K	Relay (1.0) Calculated Property
Tc	798.79	K	Relay (1.0) Calculated Property
Tfus	402.77	K	Relay (1.0) Calculated Property
Vc	0.443	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[151.58; 392.87]	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			-5.54080e+01
Coefficient B			9.22780e-01
Coefficient C			-6.51000e-04
Coefficient D			1.76500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	151.58	J/mol×K	273.00	Calculated Property
Cp,gas	197.39	J/mol×K	353.78	Calculated Property
Cp,gas	237.14	J/mol×K	434.56	Calculated Property
Cp,gas	271.40	J/mol×K	515.33	Calculated Property
Cp,gas	300.73	J/mol×K	596.11	Calculated Property
Cp,gas	325.68	J/mol×K	676.89	Calculated Property
Cp,gas	346.81	J/mol×K	757.67	Calculated Property
Cp,gas	364.68	J/mol×K	838.44	Calculated Property
Cp,gas	379.85	J/mol×K	919.22	Calculated Property
Cp,gas	392.87	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Phenylpropanamide.

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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