Chemical Properties of Acetamide, N-(phenylmethyl)-

InChI

InChI=1S/C9H11NO/c1-8(11)10-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,10,11)

InChI Key

UZJLYRRDVFWSGA-UHFFFAOYSA-N

Formula

C9H11NO

SMILES

CC(=O)NCc1ccccc1

Molecular Weight¹

149.19

Other Names

• Acetamide, N-benzyl-
• Benzylacetamide
• Benzylpiperazine-M (benzylamine), AC
• N-Acetylbenzylamine
• N-Benzylacetamide

• 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_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	0.4719		Relay (1.0) Calculated Property
ΔfG°	97.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-131.16	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.81	kJ/mol	Joback Calculated Property
ΔvapH°	71.63	kJ/mol	Relay (1.0) Calculated Property
IE	8.92	eV	Relay (1.0) Calculated Property
log10WS	-1.10		Relay (1.0) Calculated Property
logPoct/wat	1.323		Crippen Calculated Property
McVol	125.460	ml/mol	McGowan Calculated Property
Pc	3564.27	kPa	Joback Calculated Property
Inp	[1410.00; 1444.30]
Inp	1410.00		NIST
Inp	1444.30		NIST
Inp	1444.30		NIST
Tboil	541.86	K	Relay (1.0) Calculated Property
Tc	757.83	K	Relay (1.0) Calculated Property
Tfus	334.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.453	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[156.26; 391.03]	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			-3.30490e+01
Coefficient B			8.28120e-01
Coefficient C			-5.26900e-04
Coefficient D			1.22860e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	156.26	J/mol×K	273.00	Calculated Property
Cp,gas	199.42	J/mol×K	353.78	Calculated Property
Cp,gas	237.40	J/mol×K	434.56	Calculated Property
Cp,gas	270.59	J/mol×K	515.33	Calculated Property
Cp,gas	299.39	J/mol×K	596.11	Calculated Property
Cp,gas	324.19	J/mol×K	676.89	Calculated Property
Cp,gas	345.36	J/mol×K	757.67	Calculated Property
Cp,gas	363.29	J/mol×K	838.44	Calculated Property
Cp,gas	378.39	J/mol×K	919.22	Calculated Property
Cp,gas	391.03	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Acetamide, N-(phenylmethyl)-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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