Chemical Properties of exo-Tricyclo[6,2,1,0(2,6)]decan-8-one

InChI

InChI=1S/C10H14O/c11-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-9H,1-5H2/t6?,7-,8-,9?/m0/s1

InChI Key

OMIDXVJKZCPKEI-QXNPHUFVSA-N

Formula

C10H14O

SMILES

O=C1CC2CC1C1CCCC21

Molecular Weight¹

150.22

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

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-189.14	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.54	kJ/mol	Joback Calculated Property
IE	9.07	eV	Relay (1.0) Calculated Property
logPoct/wat	2.012		Crippen Calculated Property
McVol	120.750	ml/mol	McGowan Calculated Property
Inp	[1294.00; 1294.00]
Inp	1294.00		NIST
Inp	1294.00		NIST
I	1825.00		NIST
Tfus	374.14	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, 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	[151.03; 482.02]	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			-1.19680e+02
Coefficient B			1.20210e+00
Coefficient C			-8.35000e-04
Coefficient D			2.34600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	151.03	J/mol×K	273.00	Calculated Property
Cp,gas	211.48	J/mol×K	353.78	Calculated Property
Cp,gas	264.27	J/mol×K	434.56	Calculated Property
Cp,gas	310.16	J/mol×K	515.33	Calculated Property
Cp,gas	349.88	J/mol×K	596.11	Calculated Property
Cp,gas	384.19	J/mol×K	676.89	Calculated Property
Cp,gas	413.81	J/mol×K	757.67	Calculated Property
Cp,gas	439.50	J/mol×K	838.44	Calculated Property
Cp,gas	461.98	J/mol×K	919.22	Calculated Property
Cp,gas	482.02	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to exo-Tricyclo[6,2,1,0(2,6)]decan-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

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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