Chemical Properties of VILOXAZINE

InChI

InChI=1S/C13H19NO3/c1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11/h3-6,11,14H,2,7-10H2,1H3

InChI Key

YWPHCCPCQOJSGZ-UHFFFAOYSA-N

Formula

C13H19NO3

SMILES

CCOc1ccccc1OCC1CNCCO1

Molecular Weight¹

237.30

Other Names

• Morpholine, 2-[(2-ethoxyphenoxy)methyl]-
• 2-((2-Ethoxyphenoxy)methyl)morpholine
• 2-(2-Ethoxyphenoxymethyl)tetrahydro-1,4-oxazine
• ICI-58834
• Viloxazin
• 2-[(o-Ethoxyphenoxy)methyl]morpholine

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	34.86	kJ/mol	Joback Calculated Property
IE	8.02	eV	Relay (1.0) Calculated Property
logPoct/wat	1.453		Crippen Calculated Property
McVol	187.000	ml/mol	McGowan Calculated Property
Inp	[1860.00; 1860.00]
Inp	1860.00		NIST
Inp	1860.00		NIST
Tboil	620.66	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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	[253.72; 641.26]	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			-8.89800e+00
Coefficient B			1.07972e+00
Coefficient C			-4.32060e-04
Coefficient D			2.50000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	253.72	J/mol×K	273.00	Calculated Property
Cp,gas	319.12	J/mol×K	353.78	Calculated Property
Cp,gas	378.92	J/mol×K	434.56	Calculated Property
Cp,gas	433.12	J/mol×K	515.33	Calculated Property
Cp,gas	481.73	J/mol×K	596.11	Calculated Property
Cp,gas	524.77	J/mol×K	676.89	Calculated Property
Cp,gas	562.23	J/mol×K	757.67	Calculated Property
Cp,gas	594.13	J/mol×K	838.44	Calculated Property
Cp,gas	620.47	J/mol×K	919.22	Calculated Property
Cp,gas	641.26	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to VILOXAZINE.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.