Chemical Properties of Felbamate

InChI

InChI=1S/C11H14N2O4/c12-10(14)16-6-9(7-17-11(13)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,14)(H2,13,15)

InChI Key

WKGXYQFOCVYPAC-UHFFFAOYSA-N

Formula

C11H14N2O4

SMILES

NC(=O)OCC(COC(N)=O)c1ccccc1

Molecular Weight¹

238.24

Other Names

• 1,3-Propanediol, 2-phenyl-, dicarbamate
• 2-Phenyl-1,3-propanediol dicarbamate
• ADD-03055
• Felbamyl
• Felbatol
• Taloxa
• W-554
• 2-phenylpropane-1,3-diyl dicarbamate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[254.68; 557.00]	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			2.11020e+01
Coefficient B			9.90000e-01
Coefficient C			-5.06600e-04
Coefficient D			5.25000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	254.68	J/mol×K	273.00	Calculated Property
Cp,gas	310.26	J/mol×K	353.78	Calculated Property
Cp,gas	359.95	J/mol×K	434.56	Calculated Property
Cp,gas	403.93	J/mol×K	515.33	Calculated Property
Cp,gas	442.35	J/mol×K	596.11	Calculated Property
Cp,gas	475.39	J/mol×K	676.89	Calculated Property
Cp,gas	503.21	J/mol×K	757.67	Calculated Property
Cp,gas	525.97	J/mol×K	838.44	Calculated Property
Cp,gas	543.85	J/mol×K	919.22	Calculated Property
Cp,gas	557.00	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Felbamate.

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.
These property values are available through the Cheméo API. A free account gives you an access key.