Chemical Properties of Octahydro-1,3,6-ethanylylidenecyclobuta [cd] indene-2,8(1H)-dione (CAS 712-25-4)

InChI

InChI=1S/C12H12O2/c13-11-7-3-1-2-4-6-5(3)9(11)10(6)12(14)8(4)7/h3-10H,1-2H2

InChI Key

QKFUKYWULIYZFN-UHFFFAOYSA-N

Formula

C12H12O2

SMILES

O=C1C2C3CCC4C2C(=O)C2C1C3C42

Molecular Weight¹

188.22

CAS

712-25-4

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• 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).
• 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, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[411.96; 504.70]	J/mol×K	[616.48; 853.99]
Cp,gas	411.96	J/mol×K	616.48	Joback Calculated Property
Cp,gas	430.15	J/mol×K	656.07	Joback Calculated Property
Cp,gas	447.05	J/mol×K	695.65	Joback Calculated Property
Cp,gas	462.80	J/mol×K	735.24	Joback Calculated Property
Cp,gas	477.56	J/mol×K	774.82	Joback Calculated Property
Cp,gas	491.47	J/mol×K	814.41	Joback Calculated Property
Cp,gas	504.70	J/mol×K	853.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to Octahydro-1,3,6-ethanylylidenecyclobuta [cd] indene-2,8(1H)-dione.

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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