- InChI
- InChI=1S/C11H20O2/c1-8-5-10(13-9(2)12)7-11(3,4)6-8/h8,10H,5-7H2,1-4H3
- InChI Key
- OIVWFAFCHQDCCG-UHFFFAOYSA-N
- Formula
- C11H20O2
- SMILES
- CC(=O)OC1CC(C)CC(C)(C)C1
- Molecular Weight1
- 184.28
- CAS
- 24691-16-5
- Other Names
-
- 3,3,5-Trimethylcyclohexyl acetate
- cis-3,3,5-trimethylcyclohexyl acetate
- 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° | -188.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -486.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.90 | kJ/mol | Joback Calculated Property |
| log10WS | -2.81 | Crippen Calculated Property | |
| logPoct/wat | 2.764 | Crippen Calculated Property | |
| McVol | 162.430 | ml/mol | McGowan Calculated Property |
| Pc | 2393.53 | kPa | Joback Calculated Property |
| Inp | [1196.00; 1196.00] |
|
|
| Inp | 1196.00 | NIST | |
| Inp | 1196.00 | NIST | |
| Tboil | 537.82 | K | Joback Calculated Property |
| Tc | 747.99 | K | Joback Calculated Property |
| Tfus | 308.69 | K | Joback Calculated Property |
| Vc | 0.605 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [404.89; 506.66] | J/mol×K | [537.82; 747.99] |
|
| Cp,gas | 404.89 | J/mol×K | 537.82 | Joback Calculated Property |
| Cp,gas | 424.16 | J/mol×K | 572.85 | Joback Calculated Property |
| Cp,gas | 442.41 | J/mol×K | 607.88 | Joback Calculated Property |
| Cp,gas | 459.70 | J/mol×K | 642.90 | Joback Calculated Property |
| Cp,gas | 476.12 | J/mol×K | 677.93 | Joback Calculated Property |
| Cp,gas | 491.75 | J/mol×K | 712.96 | Joback Calculated Property |
| Cp,gas | 506.66 | J/mol×K | 747.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanol, 3,3,5-trimethyl-, acetate, cis-.
Sources
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