Chemical Properties of Metaxalone (CAS 1665-48-1)

InChI

InChI=1S/C12H15NO3/c1-8-3-9(2)5-10(4-8)15-7-11-6-13-12(14)16-11/h3-5,11H,6-7H2,1-2H3,(H,13,14)

InChI Key

IMWZZHHPURKASS-UHFFFAOYSA-N

Formula

C12H15NO3

SMILES

Cc1cc(C)cc(OCC2CN=C(O)O2)c1

Molecular Weight¹

221.25

CAS

1665-48-1

Other Names

• 2-Oxazolidinone, 5-((3,5-xylyloxy)methyl)-
• 2-Oxazolidinone, 5-[(3,5-dimethylphenoxy)methyl]-
• 5-((3,5-Dimethylphenoxy)methyl)-2-oxazolidinone
• 5-((3,5-Xylyloxy)methyl)-2-oxazolidinone
• 5-((3,5-dimethylphenoxy)methyl)oxazolidin-2-one
• 5-(3,5-Xyloloxymethyl)oxazolidin-2-one
• 5-[(3,5-dimethylphenoxy)methyl]-2-oxazolidinone
• AHR-438
• CL 39,148
• Metaxalon
• Metaxolone
• Metazalone
• Metazolone
• Methaxalonum
• Methoxolone
• NSC 170959
• Skelaxin
• Zorane

• 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	0.7325		Relay (1.0) Calculated Property
ΔfG°	-10.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-466.00	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.26	kJ/mol	Joback Calculated Property
ΔvapH°	122.69	kJ/mol	Relay (1.0) Calculated Property
IE	8.43	eV	Relay (1.0) Calculated Property
log10WS	-2.98		Relay (1.0) Calculated Property
logPoct/wat	1.995		Crippen Calculated Property
McVol	168.610	ml/mol	McGowan Calculated Property
Pc	3082.99	kPa	Joback Calculated Property
Inp	[2145.00; 2221.80]
Inp	2221.80		NIST
Inp	2145.00		NIST
Inp	2163.00		NIST
Inp	2163.00		NIST
Inp	2221.80		NIST
Tboil	607.56	K	Relay (1.0) Calculated Property
Tc	854.18	K	Relay (1.0) Calculated Property
Tfus	375.64	K	Relay (1.0) Calculated Property
Vc	0.630	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[493.87; 562.57]	J/mol×K	[725.27; 945.06]
Cp,gas	493.87	J/mol×K	725.27	Joback Calculated Property
Cp,gas	507.84	J/mol×K	761.90	Joback Calculated Property
Cp,gas	520.80	J/mol×K	798.53	Joback Calculated Property
Cp,gas	532.75	J/mol×K	835.16	Joback Calculated Property
Cp,gas	543.69	J/mol×K	871.80	Joback Calculated Property
Cp,gas	553.63	J/mol×K	908.43	Joback Calculated Property
Cp,gas	562.57	J/mol×K	945.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to Metaxalone.

Mixtures

• Ethanol + Metaxalone
• Isopropyl Alcohol + Metaxalone
• Ethyl Acetate + Metaxalone
• Toluene + Metaxalone

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Solubility correlation and thermodynamic analysis of two forms of Metaxalone in different pure solvents
• Joback Method
• McGowan Method
• NIST Webbook

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