- InChI
- InChI=1S/C12H20O/c1-8-10-2-9-3-11(8)6-12(4-9,5-10)7-13/h8-11,13H,2-7H2,1H3/t8?,9-,10-,11+,12-
- InChI Key
- IFNZKCYIMQCMBL-YCNMSENWSA-N
- Formula
- C12H20O
- SMILES
- CC1C2CC3CC1CC(CO)(C3)C2
- Molecular Weight1
- 180.29
- 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° | 62.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -256.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.13 | kJ/mol | Joback Calculated Property |
| log10WS | -2.58 | Crippen Calculated Property | |
| logPoct/wat | 2.441 | Crippen Calculated Property | |
| McVol | 153.230 | ml/mol | McGowan Calculated Property |
| Pc | 2817.33 | kPa | Joback Calculated Property |
| Inp | [1472.00; 1524.00] |
|
|
| Inp | 1482.00 | NIST | |
| Inp | 1495.00 | NIST | |
| Inp | 1512.00 | NIST | |
| Inp | 1524.00 | NIST | |
| Inp | 1472.00 | NIST | |
| Inp | 1484.00 | NIST | |
| Inp | 1501.00 | NIST | |
| Inp | 1514.00 | NIST | |
| I | 2139.00 | NIST | |
| Tboil | 581.53 | K | Joback Calculated Property |
| Tc | 783.10 | K | Joback Calculated Property |
| Tfus | 351.54 | K | Joback Calculated Property |
| Vc | 0.586 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [439.53; 532.67] | J/mol×K | [581.53; 783.10] |
|
| Cp,gas | 439.53 | J/mol×K | 581.53 | Joback Calculated Property |
| Cp,gas | 457.35 | J/mol×K | 615.12 | Joback Calculated Property |
| Cp,gas | 474.05 | J/mol×K | 648.72 | Joback Calculated Property |
| Cp,gas | 489.79 | J/mol×K | 682.31 | Joback Calculated Property |
| Cp,gas | 504.70 | J/mol×K | 715.91 | Joback Calculated Property |
| Cp,gas | 518.95 | J/mol×K | 749.50 | Joback Calculated Property |
| Cp,gas | 532.67 | J/mol×K | 783.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4a-methyl-1e-hydroxymethyladamantane.
Sources
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