Chemical Properties of 3-ethyl-1-adamantanol

InChI

InChI=1S/C12H20O/c1-2-11-4-9-3-10(5-11)7-12(13,6-9)8-11/h9-10,13H,2-8H2,1H3

InChI Key

LJFGNNHKXSJWFF-UHFFFAOYSA-N

Formula

C12H20O

SMILES

CCC12CC3CC(CC(O)(C3)C1)C2

Molecular Weight¹

180.29

• 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_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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[436.57; 527.21]	J/mol×K	[586.44; 795.77]
Cp,gas	436.57	J/mol×K	586.44	Joback Calculated Property
Cp,gas	453.66	J/mol×K	621.33	Joback Calculated Property
Cp,gas	469.62	J/mol×K	656.22	Joback Calculated Property
Cp,gas	484.71	J/mol×K	691.11	Joback Calculated Property
Cp,gas	499.17	J/mol×K	726.00	Joback Calculated Property
Cp,gas	513.26	J/mol×K	760.88	Joback Calculated Property
Cp,gas	527.21	J/mol×K	795.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-ethyl-1-adamantanol.

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.