Chemical Properties of Metacetamol (CAS 621-42-1)

InChI

InChI=1S/C8H9NO2/c1-6(10)9-7-3-2-4-8(11)5-7/h2-5,11H,1H3,(H,9,10)

InChI Key

QLNWXBAGRTUKKI-UHFFFAOYSA-N

Formula

C8H9NO2

SMILES

CC(=O)Nc1cccc(O)c1

Molecular Weight¹

151.16

CAS

621-42-1

Other Names

• 3'-Hydroxyacetanilide
• 3-(Acetylamino)-1-hydroxybenzene
• 3-(Acetylamino)phenol
• 3-acetamidophenol
• 3-hydroxyacetanilide
• Acetamide, N-(3-hydroxyphenyl)-
• Acetanilide, 3'-hydroxy-
• BS 479
• BS 749
• Metalid
• N-(3-Hydroxyphenyl)acetamide
• N-Acetyl-m-Aminophenol
• NEBS
• NSC 3990
• Pedituss
• Pyrapap
• Rystal
• m-(Acetylamino)phenol
• m-Acetamidophenol
• m-Acetaminophenol
• m-hydroxyacetanilide

• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[151.93; 361.86]	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			-4.10600e+01
Coefficient B			8.87720e-01
Coefficient C			-7.28860e-04
Coefficient D			2.44060e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	151.93	J/mol×K	273.00	Calculated Property
Cp,gas	192.58	J/mol×K	353.78	Calculated Property
Cp,gas	227.09	J/mol×K	434.56	Calculated Property
Cp,gas	256.25	J/mol×K	515.33	Calculated Property
Cp,gas	280.82	J/mol×K	596.11	Calculated Property
Cp,gas	301.57	J/mol×K	676.89	Calculated Property
Cp,gas	319.28	J/mol×K	757.67	Calculated Property
Cp,gas	334.72	J/mol×K	838.44	Calculated Property
Cp,gas	348.65	J/mol×K	919.22	Calculated Property
Cp,gas	361.86	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Metacetamol.

Mixtures

• Metacetamol + 1-Octanol

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
• Partial molar volumes of some drug and pro-drug substances in 1-octanol at T = 298.15 K
• Sublimation enthalpies of 9 substituted acetanilides at 298 K estimated by solution calorimetry approach
• Joback Method
• McGowan Method
• NIST Webbook

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