Chemical Properties of N-(4-ethylphenyl)acetamide (CAS 3663-34-1)

InChI

InChI=1S/C10H13NO/c1-3-9-4-6-10(7-5-9)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)

InChI Key

HOPWGOFWAPWHDS-UHFFFAOYSA-N

Formula

C10H13NO

SMILES

CCc1ccc(NC(C)=O)cc1

Molecular Weight¹

163.22

CAS

3663-34-1

• 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).
• 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	0.5560		Relay (1.0) Calculated Property
ΔfG°	96.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-189.55	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.01	kJ/mol	Joback Calculated Property
ΔvapH°	71.37	kJ/mol	Relay (1.0) Calculated Property
IE	8.11	eV	Relay (1.0) Calculated Property
log10WS	-2.41		Relay (1.0) Calculated Property
logPoct/wat	2.207		Crippen Calculated Property
McVol	139.550	ml/mol	McGowan Calculated Property
Pc	3135.00	kPa	Joback Calculated Property
Tboil	546.73	K	Relay (1.0) Calculated Property
Tc	784.99	K	Relay (1.0) Calculated Property
Tfus	[363.60; 367.90]	K
Tfus	366.65 ± 1.00	K	NIST
Tfus	363.60 ± 4.00	K	NIST
Tfus	367.90 ± 3.00	K	NIST
Vc	0.506	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[180.02; 439.58]	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			-1.96590e+01
Coefficient B			8.63640e-01
Coefficient C			-5.14260e-04
Coefficient D			1.09860e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	180.02	J/mol×K	273.00	Calculated Property
Cp,gas	226.38	J/mol×K	353.78	Calculated Property
Cp,gas	267.54	J/mol×K	434.56	Calculated Property
Cp,gas	303.87	J/mol×K	515.33	Calculated Property
Cp,gas	335.70	J/mol×K	596.11	Calculated Property
Cp,gas	363.38	J/mol×K	676.89	Calculated Property
Cp,gas	387.26	J/mol×K	757.67	Calculated Property
Cp,gas	407.69	J/mol×K	838.44	Calculated Property
Cp,gas	425.01	J/mol×K	919.22	Calculated Property
Cp,gas	439.58	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to N-(4-ethylphenyl)acetamide.

Sources

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

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