Chemical Properties of Acetamide, N-(2-methylphenyl)- (CAS 120-66-1)

InChI

InChI=1S/C9H11NO/c1-7-5-3-4-6-9(7)10-8(2)11/h3-6H,1-2H3,(H,10,11)

InChI Key

BPEXTIMJLDWDTL-UHFFFAOYSA-N

Formula

C9H11NO

SMILES

CC(=O)Nc1ccccc1C

Molecular Weight¹

149.19

CAS

120-66-1

Other Names

• o-Acetotoluidide
• o-Acetotoluide
• o-Methylacetanilide
• N-Acetyl-o-toluidine
• 2'-Methylacetanilide
• Acetyl-o-toluidine
• Acet-o-toluidide
• 2-Methylacetanilide
• N-o-Tolylacetamide
• N-Acetyl-2-toluidine
• NSC 3365

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	[-4921.97; -4871.35]	kJ/mol
ΔcH°solid	-4871.35 ± 0.79	kJ/mol	NIST
ΔcH°solid	-4921.97	kJ/mol	NIST
ΔfH°gas	-155.53	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	-242.43 ± 0.79	kJ/mol	NIST
ΔfusH°	19.42	kJ/mol	Joback Calculated Property
IE	[8.03; 8.34]	eV
IE	8.03 ± 0.02	eV	NIST
IE	8.34	eV	NIST
log10WS	-1.52		Relay (1.0) Calculated Property
logPoct/wat	1.953		Crippen Calculated Property
McVol	125.460	ml/mol	McGowan Calculated Property
Tboil	569.20	K	NIST
Tc	773.71	K	Relay (1.0) Calculated Property
Tfus	319.01	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[158.81; 387.99]	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			-1.87500e+01
Coefficient B			7.68640e-01
Coefficient C			-4.59860e-04
Coefficient D			9.79600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	158.81	J/mol×K	273.00	Calculated Property
Cp,gas	199.96	J/mol×K	353.78	Calculated Property
Cp,gas	236.47	J/mol×K	434.56	Calculated Property
Cp,gas	268.64	J/mol×K	515.33	Calculated Property
Cp,gas	296.78	J/mol×K	596.11	Calculated Property
Cp,gas	321.22	J/mol×K	676.89	Calculated Property
Cp,gas	342.24	J/mol×K	757.67	Calculated Property
Cp,gas	360.17	J/mol×K	838.44	Calculated Property
Cp,gas	375.32	J/mol×K	919.22	Calculated Property
Cp,gas	387.99	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Acetamide, N-(2-methylphenyl)-.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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