- InChI
- InChI=1S/C10H16O2/c1-9(2)6-4-7(9)10(3,12)8(11)5-6/h6-7,12H,4-5H2,1-3H3
- InChI Key
- VZRRCQOUNSHSGB-UHFFFAOYSA-N
- Formula
- C10H16O2
- SMILES
- CC1(O)C(=O)CC2CC1C2(C)C
- Molecular Weight1
- 168.23
- CAS
- 10136-65-9
- Other Names
-
- 2-hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one
- 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° | -143.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -410.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.86 | kJ/mol | Joback Calculated Property |
| log10WS | -1.73 | Crippen Calculated Property | |
| logPoct/wat | 1.373 | Crippen Calculated Property | |
| McVol | 137.480 | ml/mol | McGowan Calculated Property |
| Pc | 3295.37 | kPa | Joback Calculated Property |
| Inp | [1235.00; 1255.80] |
|
|
| Inp | 1255.80 | NIST | |
| Inp | 1235.00 | NIST | |
| Inp | 1235.00 | NIST | |
| Inp | 1255.80 | NIST | |
| I | 1983.00 | NIST | |
| Tboil | 597.09 | K | Joback Calculated Property |
| Tc | 811.66 | K | Joback Calculated Property |
| Tfus | 403.18 | K | Joback Calculated Property |
| Vc | 0.521 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [384.29; 465.91] | J/mol×K | [597.09; 811.66] |
|
| Cp,gas | 384.29 | J/mol×K | 597.09 | Joback Calculated Property |
| Cp,gas | 399.17 | J/mol×K | 632.85 | Joback Calculated Property |
| Cp,gas | 413.28 | J/mol×K | 668.61 | Joback Calculated Property |
| Cp,gas | 426.81 | J/mol×K | 704.38 | Joback Calculated Property |
| Cp,gas | 439.96 | J/mol×K | 740.14 | Joback Calculated Property |
| Cp,gas | 452.93 | J/mol×K | 775.90 | Joback Calculated Property |
| Cp,gas | 465.91 | J/mol×K | 811.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hydroxypinan-3-one.
Sources
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