Chemical Properties of Bicyclo[3.2.1]octane-2,3,4-trione (CAS 25352-00-5)

InChI

InChI=1S/C8H8O3/c9-6-4-1-2-5(3-4)7(10)8(6)11/h4-5H,1-3H2

InChI Key

VZAMUQOALSICKQ-UHFFFAOYSA-N

Formula

C8H8O3

SMILES

O=C1C(=O)C2CCC(C2)C1=O

Molecular Weight¹

152.15

CAS

25352-00-5

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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	[137.63; 392.48]	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			-5.82000e+00
Coefficient B			5.41500e-01
Coefficient C			-2.70000e-05
Coefficient D			-1.16200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	137.63	J/mol×K	273.00	Calculated Property
Cp,gas	177.23	J/mol×K	353.78	Calculated Property
Cp,gas	214.86	J/mol×K	434.56	Calculated Property
Cp,gas	250.16	J/mol×K	515.33	Calculated Property
Cp,gas	282.77	J/mol×K	596.11	Calculated Property
Cp,gas	312.31	J/mol×K	676.89	Calculated Property
Cp,gas	338.42	J/mol×K	757.67	Calculated Property
Cp,gas	360.73	J/mol×K	838.44	Calculated Property
Cp,gas	378.87	J/mol×K	919.22	Calculated Property
Cp,gas	392.48	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[3.2.1]octane-2,3,4-trione.

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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