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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	33.26	kJ/mol	Joback Calculated Property
logPoct/wat	1.995		Crippen Calculated Property
McVol	168.610	ml/mol	McGowan Calculated Property
Inp	[2145.00; 2221.80]
Inp	2163.00		NIST
Inp	2221.80		NIST
Inp	2145.00		NIST
Inp	2163.00		NIST
Inp	2221.80		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[236.44; 574.10]	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			3.30100e+00
Coefficient B			9.63420e-01
Coefficient C			-4.04020e-04
Coefficient D			1.14000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	236.44	J/mol×K	273.00	Calculated Property
Cp,gas	294.08	J/mol×K	353.78	Calculated Property
Cp,gas	346.60	J/mol×K	434.56	Calculated Property
Cp,gas	394.05	J/mol×K	515.33	Calculated Property
Cp,gas	436.45	J/mol×K	596.11	Calculated Property
Cp,gas	473.85	J/mol×K	676.89	Calculated Property
Cp,gas	506.28	J/mol×K	757.67	Calculated Property
Cp,gas	533.77	J/mol×K	838.44	Calculated Property
Cp,gas	556.37	J/mol×K	919.22	Calculated Property
Cp,gas	574.10	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Metaxalone.

Mixtures

• Ethanol + Metaxalone
• 2-Propanol + Metaxalone
• Ethyl Acetate + Metaxalone
• Toluene + Metaxalone

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
• Solubility correlation and thermodynamic analysis of two forms of Metaxalone in different pure solvents
• Joback Method
• McGowan Method
• NIST Webbook

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