- InChI
- InChI=1S/C12H20O2/c1-10(13)14-8-6-11-5-4-7-12(2,3)9-11/h6H,4-5,7-9H2,1-3H3/b11-6+
- InChI Key
- VETKXRAMNAWPAN-IZZDOVSWSA-N
- Formula
- C12H20O2
- SMILES
- CC(=O)OCC=C1CCCC(C)(C)C1
- Molecular Weight1
- 196.29
- 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° | -119.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -390.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.53 | kJ/mol | Joback Calculated Property |
| log10WS | -3.21 | Crippen Calculated Property | |
| logPoct/wat | 3.076 | Crippen Calculated Property | |
| McVol | 172.220 | ml/mol | McGowan Calculated Property |
| Pc | 2391.19 | kPa | Joback Calculated Property |
| Inp | 1332.00 | NIST | |
| Tboil | 576.68 | K | Joback Calculated Property |
| Tc | 790.27 | K | Joback Calculated Property |
| Tfus | 338.80 | K | Joback Calculated Property |
| Vc | 0.645 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [433.97; 528.49] | J/mol×K | [576.68; 790.27] | 
|
| Cp,gas | 433.97 | J/mol×K | 576.68 | Joback Calculated Property |
| Cp,gas | 451.86 | J/mol×K | 612.28 | Joback Calculated Property |
| Cp,gas | 468.76 | J/mol×K | 647.88 | Joback Calculated Property |
| Cp,gas | 484.77 | J/mol×K | 683.48 | Joback Calculated Property |
| Cp,gas | 499.99 | J/mol×K | 719.08 | Joback Calculated Property |
| Cp,gas | 514.53 | J/mol×K | 754.67 | Joback Calculated Property |
| Cp,gas | 528.49 | J/mol×K | 790.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-3,3-dimethylcyclohexane-«DELTA»1,«beta»-ethyl acetate.
Sources
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