Chemical Properties of 2,5-Furnadione, 3-(1-methylethyl)- (CAS 64198-15-8)

InChI

InChI=1S/C7H8O3/c1-4(2)5-3-6(8)10-7(5)9/h3-4H,1-2H3

InChI Key

QSWLSAYLEATCSH-UHFFFAOYSA-N

Formula

C7H8O3

SMILES

CC(C)C1=CC(=O)OC1=O

Molecular Weight¹

140.14

CAS

64198-15-8

• 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).
• 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, 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	[146.74; 326.98]	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			2.25800e+01
Coefficient B			5.13540e-01
Coefficient C			-2.17440e-04
Coefficient D			8.30000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	146.74	J/mol×K	273.00	Calculated Property
Cp,gas	177.41	J/mol×K	353.78	Calculated Property
Cp,gas	205.36	J/mol×K	434.56	Calculated Property
Cp,gas	230.61	J/mol×K	515.33	Calculated Property
Cp,gas	253.20	J/mol×K	596.11	Calculated Property
Cp,gas	273.14	J/mol×K	676.89	Calculated Property
Cp,gas	290.46	J/mol×K	757.67	Calculated Property
Cp,gas	305.19	J/mol×K	838.44	Calculated Property
Cp,gas	317.35	J/mol×K	919.22	Calculated Property
Cp,gas	326.98	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Furnadione, 3-(1-methylethyl)-.

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

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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