- InChI
- InChI=1S/C10H16O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h6,8,11H,4-5H2,1-3H3
- InChI Key
- QSIMLPCPCXVYDD-UHFFFAOYSA-N
- Formula
- C10H16O2
- SMILES
- CC1=C(O)C(=O)C(C(C)C)CC1
- Molecular Weight1
- 168.23
- CAS
- 490-03-9
- Other Names
-
- Diosphenol
- Barosma camphor
- Buccocamphor
- Buchu camphor
- 2-Hydroxypiperitone
- 2-hydroxy-6-(isopropyl)-3-methylcyclohex-2-en-1-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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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° | -193.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -455.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.44 | kJ/mol | Joback Calculated Property |
| log10WS | -2.37 | Crippen Calculated Property | |
| logPoct/wat | 2.454 | Crippen Calculated Property | |
| McVol | 144.040 | ml/mol | McGowan Calculated Property |
| Pc | 2979.54 | kPa | Joback Calculated Property |
| Inp | [1246.00; 1309.00] |
|
|
| Inp | 1304.90 | NIST | |
| Inp | 1273.00 | NIST | |
| Inp | 1277.00 | NIST | |
| Inp | 1246.00 | NIST | |
| Inp | 1273.00 | NIST | |
| Inp | 1309.00 | NIST | |
| Inp | 1273.00 | NIST | |
| Inp | 1304.90 | NIST | |
| I | [1784.00; 1831.00] |
|
|
| I | 1784.00 | NIST | |
| I | 1830.00 | NIST | |
| I | 1803.00 | NIST | |
| I | 1831.00 | NIST | |
| I | 1803.00 | NIST | |
| I | 1784.00 | NIST | |
| Tboil | 616.43 | K | Joback Calculated Property |
| Tc | 823.06 | K | Joback Calculated Property |
| Tfus | 349.68 | K | Joback Calculated Property |
| Vc | 0.534 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [380.65; 457.40] | J/mol×K | [616.43; 823.06] |
|
| Cp,gas | 380.65 | J/mol×K | 616.43 | Joback Calculated Property |
| Cp,gas | 395.28 | J/mol×K | 650.87 | Joback Calculated Property |
| Cp,gas | 409.19 | J/mol×K | 685.31 | Joback Calculated Property |
| Cp,gas | 422.36 | J/mol×K | 719.75 | Joback Calculated Property |
| Cp,gas | 434.79 | J/mol×K | 754.19 | Joback Calculated Property |
| Cp,gas | 446.47 | J/mol×K | 788.62 | Joback Calculated Property |
| Cp,gas | 457.40 | J/mol×K | 823.06 | Joback Calculated Property |
| ΔvapH | 56.20 | kJ/mol | 422.00 | NIST |
Similar Compounds
Find more compounds similar to 2-Cyclohexen-1-one, 2-hydroxy-3-methyl-6-(1-methylethyl)-.
Sources
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