- InChI
- InChI=1S/C17H20O/c18-16(15-4-2-1-3-5-15)17-9-12-6-13(10-17)8-14(7-12)11-17/h1-5,12-14H,6-11H2/t12-,13+,14-,17-
- InChI Key
- IYXCOHWIYKULSE-ZZNDEYBLSA-N
- Formula
- C17H20O
- SMILES
-
O=C(c1ccccc1)C12CC3CC(CC(C3)C1
)C2 - Molecular Weight1
- 240.34
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -168.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.89 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.086 | Crippen Calculated Property | |
| McVol | 195.620 | ml/mol | McGowan Calculated Property |
| Inp | [2018.00; 2018.00] |
|
|
| Inp | 2018.00 | NIST | |
| Inp | 2018.00 | NIST | |
| Tboil | 630.15 | K | Relay (1.0) Calculated Property |
| Tfus | 483.27 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [582.86; 695.35] | J/mol×K | [688.97; 939.12] |
|
| Cp,gas | 582.86 | J/mol×K | 688.97 | Joback Calculated Property |
| Cp,gas | 603.75 | J/mol×K | 730.66 | Joback Calculated Property |
| Cp,gas | 623.35 | J/mol×K | 772.35 | Joback Calculated Property |
| Cp,gas | 641.99 | J/mol×K | 814.05 | Joback Calculated Property |
| Cp,gas | 659.98 | J/mol×K | 855.74 | Joback Calculated Property |
| Cp,gas | 677.66 | J/mol×K | 897.43 | Joback Calculated Property |
| Cp,gas | 695.35 | J/mol×K | 939.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Adamantyl phenyl ketone.
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.
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