- InChI
- InChI=1S/C12H20O2/c1-8(2)11-6-10(12(11,4)5)7-14-9(3)13/h10-11H,1,6-7H2,2-5H3
- InChI Key
- XUCVWTVHEYSKFF-UHFFFAOYSA-N
- Formula
- C12H20O2
- SMILES
- C=C(C)C1CC(COC(C)=O)C1(C)C
- 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.
- 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° | -76.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -378.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.19 | kJ/mol | Joback Calculated Property |
| log10WS | -2.73 | Crippen Calculated Property | |
| logPoct/wat | 2.788 | Crippen Calculated Property | |
| McVol | 172.220 | ml/mol | McGowan Calculated Property |
| Pc | 2177.49 | kPa | Joback Calculated Property |
| Inp | 1281.00 | NIST | |
| I | 1702.00 | NIST | |
| Tboil | 548.72 | K | Joback Calculated Property |
| Tc | 749.37 | K | Joback Calculated Property |
| Tfus | 311.28 | K | Joback Calculated Property |
| Vc | 0.658 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [432.40; 525.84] | J/mol×K | [548.72; 749.37] | 
|
| Cp,gas | 432.40 | J/mol×K | 548.72 | Joback Calculated Property |
| Cp,gas | 450.05 | J/mol×K | 582.16 | Joback Calculated Property |
| Cp,gas | 466.75 | J/mol×K | 615.60 | Joback Calculated Property |
| Cp,gas | 482.59 | J/mol×K | 649.05 | Joback Calculated Property |
| Cp,gas | 497.66 | J/mol×K | 682.49 | Joback Calculated Property |
| Cp,gas | 512.05 | J/mol×K | 715.93 | Joback Calculated Property |
| Cp,gas | 525.84 | J/mol×K | 749.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-isopropenyl-2,2-dimethylcyclobutanemethyl acetate.
Sources
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