Chemical Properties of 3-Ketocarbofuran

InChI

InChI=1S/C12H13NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6H,1-3H3,(H,13,15)

InChI Key

WXNZYYXXILQTKX-UHFFFAOYSA-N

Formula

C12H13NO4

SMILES

CNC(=O)Oc1cccc2c1OC(C)(C)C2=O

Molecular Weight¹

235.24

Other Names

• Carbamic acid, methyl-, ester with 2,2-dimethyl-7-hydroxy-3(2H)-benzofuranone
• 3(2H)-Benzofuranone, 2,2-dimethyl-7-(((methylamino)carbonyl)oxy)-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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 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	[236.77; 564.53]	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			-3.56100e+01
Coefficient B			1.23886e+00
Coefficient C			-9.75020e-04
Coefficient D			3.36300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	236.77	J/mol×K	273.00	Calculated Property
Cp,gas	295.53	J/mol×K	353.78	Calculated Property
Cp,gas	346.22	J/mol×K	434.56	Calculated Property
Cp,gas	389.91	J/mol×K	515.33	Calculated Property
Cp,gas	427.65	J/mol×K	596.11	Calculated Property
Cp,gas	460.53	J/mol×K	676.89	Calculated Property
Cp,gas	489.59	J/mol×K	757.67	Calculated Property
Cp,gas	515.90	J/mol×K	838.44	Calculated Property
Cp,gas	540.52	J/mol×K	919.22	Calculated Property
Cp,gas	564.53	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 3-Ketocarbofuran.

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.