- 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).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 232.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -63.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.91 | kJ/mol | Joback Calculated Property |
| log10WS | -4.62 | Crippen Calculated Property | |
| logPoct/wat | 4.086 | Crippen Calculated Property | |
| McVol | 195.620 | ml/mol | McGowan Calculated Property |
| Pc | 2429.05 | kPa | Joback Calculated Property |
| Inp | [2018.00; 2018.00] |
|
|
| Inp | 2018.00 | NIST | |
| Inp | 2018.00 | NIST | |
| Tboil | 688.97 | K | Joback Calculated Property |
| Tc | 939.12 | K | Joback Calculated Property |
| Tfus | 427.66 | K | Joback Calculated Property |
| Vc | 0.746 | m3/kmol | Joback Calculated Property |
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
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