Chemical Properties of Capnellane-8-one

InChI

InChI=1S/C15H24O/c1-9-11(16)7-10-8-15(4)6-5-14(2,3)13(15)12(9)10/h9-10,12-13H,5-8H2,1-4H3/t9?,10?,12?,13?,15-/m1/s1

InChI Key

OUWRASYSJBAWAF-OLAWPIOWSA-N

Formula

C15H24O

SMILES

CC1C(=O)CC2CC3(C)CCC(C)(C)C3C21

Molecular Weight¹

220.35

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	14.94	kJ/mol	Joback Calculated Property
logPoct/wat	3.674		Crippen Calculated Property
McVol	191.200	ml/mol	McGowan Calculated Property
Inp	[1942.00; 1942.00]
Inp	1942.00		NIST
Inp	1942.00		NIST

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, Ionization energy, 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	[248.89; 769.73]	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			-2.17450e+02
Coefficient B			2.19838e+00
Coefficient C			-2.01500e-03
Coefficient D			8.03800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	248.89	J/mol×K	273.00	Calculated Property
Cp,gas	343.68	J/mol×K	353.78	Calculated Property
Cp,gas	423.32	J/mol×K	434.56	Calculated Property
Cp,gas	490.33	J/mol×K	515.33	Calculated Property
Cp,gas	547.27	J/mol×K	596.11	Calculated Property
Cp,gas	596.67	J/mol×K	676.89	Calculated Property
Cp,gas	641.07	J/mol×K	757.67	Calculated Property
Cp,gas	683.02	J/mol×K	838.44	Calculated Property
Cp,gas	725.06	J/mol×K	919.22	Calculated Property
Cp,gas	769.73	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Capnellane-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.
These property values are available through the Cheméo API. A free account gives you an access key.