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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[287.28; 368.20]	J/mol×K	[607.92; 869.42]
Cp,gas	287.28	J/mol×K	607.92	Joback Calculated Property
Cp,gas	303.38	J/mol×K	651.50	Joback Calculated Property
Cp,gas	318.50	J/mol×K	695.09	Joback Calculated Property
Cp,gas	332.60	J/mol×K	738.67	Joback Calculated Property
Cp,gas	345.63	J/mol×K	782.25	Joback Calculated Property
Cp,gas	357.51	J/mol×K	825.84	Joback Calculated Property
Cp,gas	368.20	J/mol×K	869.42	Joback 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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