- InChI
- InChI=1S/C13H22O2/c1-10-6-5-8-13(3,4)12(10)7-9-15-11(2)14/h12H,1,5-9H2,2-4H3
- InChI Key
- JCSFOVFIEQAJIG-UHFFFAOYSA-N
- Formula
- C13H22O2
- SMILES
- C=C1CCCC(C)(C)C1CCOC(C)=O
- Molecular Weight1
- 210.31
- 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).
- 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° | -111.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -422.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.82 | kJ/mol | Joback Calculated Property |
| log10WS | -3.39 | Crippen Calculated Property | |
| logPoct/wat | 3.322 | Crippen Calculated Property | |
| McVol | 186.310 | ml/mol | McGowan Calculated Property |
| Pc | 2096.50 | kPa | Joback Calculated Property |
| I | [1813.00; 1813.00] |
|
|
| I | 1813.00 | NIST | |
| I | 1813.00 | NIST | |
| Tboil | 587.41 | K | Joback Calculated Property |
| Tc | 792.89 | K | Joback Calculated Property |
| Tfus | 349.15 | K | Joback Calculated Property |
| Vc | 0.702 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [484.41; 584.15] | J/mol×K | [587.41; 792.89] |
|
| Cp,gas | 484.41 | J/mol×K | 587.41 | Joback Calculated Property |
| Cp,gas | 503.14 | J/mol×K | 621.66 | Joback Calculated Property |
| Cp,gas | 520.92 | J/mol×K | 655.90 | Joback Calculated Property |
| Cp,gas | 537.83 | J/mol×K | 690.15 | Joback Calculated Property |
| Cp,gas | 553.95 | J/mol×K | 724.39 | Joback Calculated Property |
| Cp,gas | 569.37 | J/mol×K | 758.64 | Joback Calculated Property |
| Cp,gas | 584.15 | J/mol×K | 792.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-(2,2-dimethyl-6-methylenecyclohexyl)-ethyl acetate.
Sources
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