- InChI
- InChI=1S/C10H18O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h6-9,11H,4-5H2,1-3H3
- InChI Key
- NCNOFEZLRJLBDH-UHFFFAOYSA-N
- Formula
- C10H18O2
- SMILES
- CC(C)C1CC(O)C(C)CC1=O
- Molecular Weight1
- 170.25
- 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° | -219.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -531.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.20 | kJ/mol | Joback Calculated Property |
| log10WS | -1.83 | Crippen Calculated Property | |
| logPoct/wat | 1.619 | Crippen Calculated Property | |
| McVol | 148.340 | ml/mol | McGowan Calculated Property |
| Pc | 2758.46 | kPa | Joback Calculated Property |
| Inp | 1280.00 | NIST | |
| I | [1937.00; 1946.00] |
|
|
| I | 1937.00 | NIST | |
| I | 1946.00 | NIST | |
| I | 1946.00 | NIST | |
| Tboil | 597.97 | K | Joback Calculated Property |
| Tc | 800.77 | K | Joback Calculated Property |
| Tfus | 315.40 | K | Joback Calculated Property |
| Vc | 0.546 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [405.78; 494.98] | J/mol×K | [597.97; 800.77] |
|
| Cp,gas | 405.78 | J/mol×K | 597.97 | Joback Calculated Property |
| Cp,gas | 422.74 | J/mol×K | 631.77 | Joback Calculated Property |
| Cp,gas | 438.88 | J/mol×K | 665.57 | Joback Calculated Property |
| Cp,gas | 454.18 | J/mol×K | 699.37 | Joback Calculated Property |
| Cp,gas | 468.64 | J/mol×K | 733.17 | Joback Calculated Property |
| Cp,gas | 482.24 | J/mol×K | 766.97 | Joback Calculated Property |
| Cp,gas | 494.98 | J/mol×K | 800.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Hydroxypiperitone.
Sources
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