- InChI
- InChI=1S/C14H22O2/c1-2-3-16-13(15)14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12H,2-9H2,1H3
- InChI Key
- LVGMTYKQVATOOP-UHFFFAOYSA-N
- Formula
- C14H22O2
- SMILES
- CCCOC(=O)C12CC3CC(CC(C3)C1)C2
- Molecular Weight1
- 222.32
- 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° | -9.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -369.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.36 | kJ/mol | Joback Calculated Property |
| log10WS | -3.26 | Crippen Calculated Property | |
| logPoct/wat | 3.156 | Crippen Calculated Property | |
| McVol | 182.980 | ml/mol | McGowan Calculated Property |
| Pc | 2291.52 | kPa | Joback Calculated Property |
| Inp | [1603.00; 1642.00] |
|
|
| Inp | 1603.00 | NIST | |
| Inp | 1617.00 | NIST | |
| Inp | 1629.00 | NIST | |
| Inp | 1642.00 | NIST | |
| I | [2027.00; 2046.00] |
|
|
| I | 2027.00 | NIST | |
| I | 2046.00 | NIST | |
| Tboil | 616.07 | K | Joback Calculated Property |
| Tc | 831.20 | K | Joback Calculated Property |
| Tfus | 389.66 | K | Joback Calculated Property |
| Vc | 0.704 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [527.28; 632.14] | J/mol×K | [616.07; 831.20] |
|
| Cp,gas | 527.28 | J/mol×K | 616.07 | Joback Calculated Property |
| Cp,gas | 547.19 | J/mol×K | 651.93 | Joback Calculated Property |
| Cp,gas | 565.89 | J/mol×K | 687.78 | Joback Calculated Property |
| Cp,gas | 583.56 | J/mol×K | 723.64 | Joback Calculated Property |
| Cp,gas | 600.38 | J/mol×K | 759.49 | Joback Calculated Property |
| Cp,gas | 616.52 | J/mol×K | 795.35 | Joback Calculated Property |
| Cp,gas | 632.14 | J/mol×K | 831.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adamantane-1-carboxylic acid, propyl ester.
Sources
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