- InChI
- InChI=1S/C12H18O/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3/t9-,10+,11-,12-
- InChI Key
- DACIGVIOAFXPHW-CDECOKDKSA-N
- Formula
- C12H18O
- SMILES
- CC(=O)C12CC3CC(CC(C3)C1)C2
- Molecular Weight1
- 178.27
- 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° | 78.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -196.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.50 | kJ/mol | Joback Calculated Property |
| log10WS | -2.84 | Crippen Calculated Property | |
| logPoct/wat | 2.792 | Crippen Calculated Property | |
| McVol | 148.930 | ml/mol | McGowan Calculated Property |
| Pc | 2829.33 | kPa | Joback Calculated Property |
| Inp | [1888.00; 1888.00] |
|
|
| Inp | 1888.00 | NIST | |
| Inp | 1888.00 | NIST | |
| Tboil | 547.89 | K | Joback Calculated Property |
| Tc | 773.67 | K | Joback Calculated Property |
| Tfus | 344.89 | K | Joback Calculated Property |
| Vc | 0.574 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [396.75; 498.09] | J/mol×K | [547.89; 773.67] |
|
| Cp,gas | 396.75 | J/mol×K | 547.89 | Joback Calculated Property |
| Cp,gas | 416.77 | J/mol×K | 585.52 | Joback Calculated Property |
| Cp,gas | 435.26 | J/mol×K | 623.15 | Joback Calculated Property |
| Cp,gas | 452.43 | J/mol×K | 660.78 | Joback Calculated Property |
| Cp,gas | 468.48 | J/mol×K | 698.41 | Joback Calculated Property |
| Cp,gas | 483.63 | J/mol×K | 736.04 | Joback Calculated Property |
| Cp,gas | 498.09 | J/mol×K | 773.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetyldamantane.
Sources
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