Chemical Properties of endo-Tricyclo[6,2,1,0(2,6)]dec-4-en-8-one

InChI

InChI=1S/C10H12O/c11-10-5-6-4-9(10)8-3-1-2-7(6)8/h1,3,6-9H,2,4-5H2/t6?,7-,8-,9?/m0/s1

InChI Key

UCWKJFXRPXCVCD-OMRMXDSLSA-N

Formula

C10H12O

SMILES

O=C1CC2CC1[C@H]1C=CC[C@@H]21

Molecular Weight¹

148.21

• 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[144.56; 450.72]	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			-1.11900e+02
Coefficient B			1.14610e+00
Coefficient C			-8.22280e-04
Coefficient D			2.38800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	144.56	J/mol×K	273.00	Calculated Property
Cp,gas	201.22	J/mol×K	353.78	Calculated Property
Cp,gas	250.46	J/mol×K	434.56	Calculated Property
Cp,gas	293.03	J/mol×K	515.33	Calculated Property
Cp,gas	329.69	J/mol×K	596.11	Calculated Property
Cp,gas	361.19	J/mol×K	676.89	Calculated Property
Cp,gas	388.29	J/mol×K	757.67	Calculated Property
Cp,gas	411.74	J/mol×K	838.44	Calculated Property
Cp,gas	432.30	J/mol×K	919.22	Calculated Property
Cp,gas	450.72	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to endo-Tricyclo[6,2,1,0(2,6)]dec-4-en-8-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

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