- InChI
- InChI=1S/C9H16O2/c1-6-4-9(2,3)5-7(10)8(6)11/h6,8,11H,4-5H2,1-3H3
- InChI Key
- BPRYUSNPHZLEIX-UHFFFAOYSA-N
- Formula
- C9H16O2
- SMILES
- CC1CC(C)(C)CC(=O)C1O
- Molecular Weight1
- 156.22
- 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).
- 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° | -230.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -490.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.21 | kJ/mol | Joback Calculated Property |
| log10WS | -1.66 | Crippen Calculated Property | |
| logPoct/wat | 1.373 | Crippen Calculated Property | |
| McVol | 134.250 | ml/mol | McGowan Calculated Property |
| Pc | 3188.33 | kPa | Joback Calculated Property |
| I | [1656.00; 1656.00] |
|
|
| I | 1656.00 | NIST | |
| I | 1656.00 | NIST | |
| Tboil | 575.77 | K | Joback Calculated Property |
| Tc | 785.25 | K | Joback Calculated Property |
| Tfus | 343.03 | K | Joback Calculated Property |
| Vc | 0.494 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [354.01; 437.70] | J/mol×K | [575.77; 785.25] |
|
| Cp,gas | 354.01 | J/mol×K | 575.77 | Joback Calculated Property |
| Cp,gas | 369.63 | J/mol×K | 610.68 | Joback Calculated Property |
| Cp,gas | 384.49 | J/mol×K | 645.60 | Joback Calculated Property |
| Cp,gas | 398.67 | J/mol×K | 680.51 | Joback Calculated Property |
| Cp,gas | 412.22 | J/mol×K | 715.43 | Joback Calculated Property |
| Cp,gas | 425.21 | J/mol×K | 750.34 | Joback Calculated Property |
| Cp,gas | 437.70 | J/mol×K | 785.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hydroxy-3,5,5-trimethylcyclohexanone.
Sources
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