- InChI
- InChI=1S/C10H16O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4,6,8-9,11H,5H2,1-3H3/t8-,9+/m1/s1
- InChI Key
- HEJGMQATUPGCRD-BDAKNGLRSA-N
- Formula
- C10H16O2
- SMILES
- CC1=CC(=O)C(C(C)C)CC1O
- Molecular Weight1
- 168.23
- CAS
- 55955-53-8
- Other Names
-
- 4-Hydroxy-6-isopropyl-3-methylcyclohex-2-enone
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5093 | Relay (... Calculated Property | |
| ΔfG° | -191.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -411.16 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 15.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.53 | kJ/mol | Relay (... Calculated Property |
| IE | 9.31 | eV | Relay (... Calculated Property |
| log10WS | -1.13 | Relay (... Calculated Property | |
| logPoct/wat | 1.539 | Crippen Calculated Property | |
| McVol | 144.040 | ml/mol | McGowan Calculated Property |
| Pc | 2921.84 | kPa | Joback Calculated Property |
| Inp | [1432.30; 1432.30] |
|
|
| Inp | 1432.30 | NIST | |
| Inp | 1432.30 | NIST | |
| Tboil | 516.28 | K | Relay (... Calculated Property |
| Tc | 739.99 | K | Relay (... Calculated Property |
| Tfus | 362.44 | K | Relay (... Calculated Property |
| Vc | 0.493 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [383.06; 463.09] | J/mol×K | [606.78; 812.40] |
|
| Cp,gas | 383.06 | J/mol×K | 606.78 | Joback Calculated Property |
| Cp,gas | 398.33 | J/mol×K | 641.05 | Joback Calculated Property |
| Cp,gas | 412.83 | J/mol×K | 675.32 | Joback Calculated Property |
| Cp,gas | 426.57 | J/mol×K | 709.59 | Joback Calculated Property |
| Cp,gas | 439.53 | J/mol×K | 743.86 | Joback Calculated Property |
| Cp,gas | 451.71 | J/mol×K | 778.13 | Joback Calculated Property |
| Cp,gas | 463.09 | J/mol×K | 812.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Cyclohexen-1-one, 4-hydroxy-3-methyl-6-(1-methylethyl)-, trans-.
Sources
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