Chemical Properties of 2-Oxaadamantane (CAS 281-24-3)

InChI

InChI=1S/C9H14O/c1-6-2-8-4-7(1)5-9(3-6)10-8/h6-9H,1-5H2

InChI Key

CMRFJAMFEWYMKE-UHFFFAOYSA-N

Formula

C9H14O

SMILES

C1C2CC3CC1CC(C2)O3

Molecular Weight¹

138.21

CAS

281-24-3

• 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).
• Δ_fusH : Enthalpy of fusion at a given temperature (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).
• 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, 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[140.81; 450.82]	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			-1.37880e+02
Coefficient B			1.27240e+00
Coefficient C			-1.01070e-03
Coefficient D			3.27000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	140.81	J/mol×K	273.00	Calculated Property
Cp,gas	200.25	J/mol×K	353.78	Calculated Property
Cp,gas	251.02	J/mol×K	434.56	Calculated Property
Cp,gas	294.17	J/mol×K	515.33	Calculated Property
Cp,gas	330.73	J/mol×K	596.11	Calculated Property
Cp,gas	361.73	J/mol×K	676.89	Calculated Property
Cp,gas	388.20	J/mol×K	757.67	Calculated Property
Cp,gas	411.19	J/mol×K	838.44	Calculated Property
Cp,gas	431.71	J/mol×K	919.22	Calculated Property
Cp,gas	450.82	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Oxaadamantane.

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.