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

• 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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[280.17; 332.79]	J/mol×K	[593.78; 827.84]
Cp,gas	280.17	J/mol×K	593.78	Joback Calculated Property
Cp,gas	290.67	J/mol×K	632.79	Joback Calculated Property
Cp,gas	300.36	J/mol×K	671.80	Joback Calculated Property
Cp,gas	309.33	J/mol×K	710.81	Joback Calculated Property
Cp,gas	317.67	J/mol×K	749.82	Joback Calculated Property
Cp,gas	325.46	J/mol×K	788.83	Joback Calculated Property
Cp,gas	332.79	J/mol×K	827.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to Metacetamol.

Mixtures

• Metacetamol + 1-Octanol

Sources

• Crippen Method
• Crippen Method
• Partial molar volumes of some drug and pro-drug substances in 1-octanol at T = 298.15 K
• 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.