- InChI
- InChI=1S/C12H20O3/c1-9(13)15-11(2,3)10-5-7-12(4,14)8-6-10/h5,7,10,14H,6,8H2,1-4H3/t10-,12-/m1/s1
- InChI Key
- WMXMTKFKYOOQOL-ZYHUDNBSSA-N
- Formula
- C12H20O3
- SMILES
- CC(=O)OC(C)(C)C1C=CC(C)(O)CC1
- Molecular Weight1
- 212.29
- CAS
- 121958-61-0
- 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.
- 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° | -276.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -589.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.11 | kJ/mol | Joback Calculated Property |
| log10WS | -2.70 | Crippen Calculated Property | |
| logPoct/wat | 2.045 | Crippen Calculated Property | |
| McVol | 178.090 | ml/mol | McGowan Calculated Property |
| Pc | 2603.08 | kPa | Joback Calculated Property |
| Inp | 1457.40 | NIST | |
| Tboil | 653.48 | K | Joback Calculated Property |
| Tc | 859.50 | K | Joback Calculated Property |
| Tfus | 388.20 | K | Joback Calculated Property |
| Vc | 0.655 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [501.08; 584.61] | J/mol×K | [653.48; 859.50] | 
|
| Cp,gas | 501.08 | J/mol×K | 653.48 | Joback Calculated Property |
| Cp,gas | 516.74 | J/mol×K | 687.82 | Joback Calculated Property |
| Cp,gas | 531.56 | J/mol×K | 722.15 | Joback Calculated Property |
| Cp,gas | 545.65 | J/mol×K | 756.49 | Joback Calculated Property |
| Cp,gas | 559.12 | J/mol×K | 790.82 | Joback Calculated Property |
| Cp,gas | 572.07 | J/mol×K | 825.16 | Joback Calculated Property |
| Cp,gas | 584.61 | J/mol×K | 859.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-((1R,4R)-4-Hydroxy-4-methylcyclohex-2-enyl)propan-2-yl acetate.
Sources
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