Chemical Properties of Octahydro-1,2,4-metheno-3H-cyclobuta [cd] pentalen-3-one (CAS 15443-37-5)

InChI

InChI=1S/C10H10O/c11-10-7-3-1-2-4-5(3)9(10)8(4)6(2)7/h2-9H,1H2

InChI Key

KIOXQCAVQTVNCR-UHFFFAOYSA-N

Formula

C10H10O

SMILES

O=C1C2C3CC4C2C2C1C3C42

Molecular Weight¹

146.19

CAS

15443-37-5

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase 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	[138.03; 444.14]	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			-1.77560e+02
Coefficient B			1.50850e+00
Coefficient C			-1.44300e-03
Coefficient D			5.56200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	138.03	J/mol×K	273.00	Calculated Property
Cp,gas	200.14	J/mol×K	353.78	Calculated Property
Cp,gas	251.12	J/mol×K	434.56	Calculated Property
Cp,gas	292.72	J/mol×K	515.33	Calculated Property
Cp,gas	326.72	J/mol×K	596.11	Calculated Property
Cp,gas	354.87	J/mol×K	676.89	Calculated Property
Cp,gas	378.93	J/mol×K	757.67	Calculated Property
Cp,gas	400.65	J/mol×K	838.44	Calculated Property
Cp,gas	421.80	J/mol×K	919.22	Calculated Property
Cp,gas	444.14	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Octahydro-1,2,4-metheno-3H-cyclobuta [cd] pentalen-3-one.

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.
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