Chemical Properties of (3a«alpha»,4«alpha»,7«alpha»,7a«alpha»)-3a,4,7,7a-Tetrahydro-4,7-methanoinden-1-one (CAS 5530-96-1)

InChI

InChI=1S/C10H10O/c11-9-4-3-8-6-1-2-7(5-6)10(8)9/h1-4,6-8,10H,5H2

InChI Key

USCIQHADNYEBHX-UHFFFAOYSA-N

Formula

C10H10O

SMILES

O=C1C=CC2C3C=CC(C3)C12

Molecular Weight¹

146.19

CAS

5530-96-1

Other Names

• endo-3a,4,7,7a-Tetrahydro-4,7-methanoinden-1-one
• endo-Dicyclopentadienone

• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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	[138.09; 419.42]	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			-1.04120e+02
Coefficient B			1.09010e+00
Coefficient C			-8.09560e-04
Coefficient D			2.43000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	138.09	J/mol×K	273.00	Calculated Property
Cp,gas	190.97	J/mol×K	353.78	Calculated Property
Cp,gas	236.65	J/mol×K	434.56	Calculated Property
Cp,gas	275.91	J/mol×K	515.33	Calculated Property
Cp,gas	309.50	J/mol×K	596.11	Calculated Property
Cp,gas	338.20	J/mol×K	676.89	Calculated Property
Cp,gas	362.77	J/mol×K	757.67	Calculated Property
Cp,gas	383.98	J/mol×K	838.44	Calculated Property
Cp,gas	402.61	J/mol×K	919.22	Calculated Property
Cp,gas	419.42	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to (3a«alpha»,4«alpha»,7«alpha»,7a«alpha»)-3a,4,7,7a-Tetrahydro-4,7-methanoinden-1-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.
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