- InChI
- InChI=1S/C14H22O/c1-2-3-13(15)14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12H,2-9H2,1H3/t10-,11-,12?,14-/m1/s1
- InChI Key
- VOYMPFHXYJTPFH-XHMIPKSJSA-N
- Formula
- C14H22O
- SMILES
- CCCC(=O)C12CC3CC(CC(C3)C1)C2
- Molecular Weight1
- 206.32
- Other Names
-
- n-Propyladamantyl ketone
- 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.
- I : 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° | 95.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -237.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.95 | kJ/mol | Joback Calculated Property |
| log10WS | -3.68 | Crippen Calculated Property | |
| logPoct/wat | 3.572 | Crippen Calculated Property | |
| McVol | 177.110 | ml/mol | McGowan Calculated Property |
| Pc | 2329.27 | kPa | Joback Calculated Property |
| Inp | [1609.00; 1657.00] |
|
|
| Inp | 1609.00 | NIST | |
| Inp | 1629.00 | NIST | |
| Inp | 1641.00 | NIST | |
| Inp | 1657.00 | NIST | |
| Inp | 1609.00 | NIST | |
| I | [2085.00; 2110.00] |
|
|
| I | 2085.00 | NIST | |
| I | 2110.00 | NIST | |
| I | 2085.00 | NIST | |
| Tboil | 593.65 | K | Joback Calculated Property |
| Tc | 811.38 | K | Joback Calculated Property |
| Tfus | 367.43 | K | Joback Calculated Property |
| Vc | 0.685 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [498.50; 605.53] | J/mol×K | [593.65; 811.38] |
|
| Cp,gas | 498.50 | J/mol×K | 593.65 | Joback Calculated Property |
| Cp,gas | 519.09 | J/mol×K | 629.94 | Joback Calculated Property |
| Cp,gas | 538.32 | J/mol×K | 666.23 | Joback Calculated Property |
| Cp,gas | 556.38 | J/mol×K | 702.51 | Joback Calculated Property |
| Cp,gas | 573.48 | J/mol×K | 738.80 | Joback Calculated Property |
| Cp,gas | 589.79 | J/mol×K | 775.09 | Joback Calculated Property |
| Cp,gas | 605.53 | J/mol×K | 811.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to propyl-(1-adamantyl) ketone.
Sources
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