- InChI
- InChI=1S/C13H20O2/c1-8-4-9(7-14)11-6-13(2,3)12(15)10(11)5-8/h10,12,14-15H,1,4-7H2,2-3H3
- InChI Key
- VCIVBLZCBOWLMD-UHFFFAOYSA-N
- Formula
- C13H20O2
- SMILES
- C=C1CC(CO)=C2CC(C)(C)C(O)C2C1
- Molecular Weight1
- 208.30
- 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° | -79.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -375.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.55 | kJ/mol | Joback Calculated Property |
| log10WS | -2.92 | Crippen Calculated Property | |
| logPoct/wat | 2.032 | Crippen Calculated Property | |
| McVol | 175.450 | ml/mol | McGowan Calculated Property |
| Pc | 2741.15 | kPa | Joback Calculated Property |
| Inp | 1849.00 | NIST | |
| I | [3118.00; 3118.00] |
|
|
| I | 3118.00 | NIST | |
| I | 3118.00 | NIST | |
| Tboil | 711.34 | K | Joback Calculated Property |
| Tc | 904.56 | K | Joback Calculated Property |
| Tfus | 442.37 | K | Joback Calculated Property |
| Vc | 0.658 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [523.67; 600.57] | J/mol×K | [711.34; 904.56] |
|
| Cp,gas | 523.67 | J/mol×K | 711.34 | Joback Calculated Property |
| Cp,gas | 537.43 | J/mol×K | 743.54 | Joback Calculated Property |
| Cp,gas | 550.68 | J/mol×K | 775.75 | Joback Calculated Property |
| Cp,gas | 563.53 | J/mol×K | 807.95 | Joback Calculated Property |
| Cp,gas | 576.07 | J/mol×K | 840.16 | Joback Calculated Property |
| Cp,gas | 588.38 | J/mol×K | 872.36 | Joback Calculated Property |
| Cp,gas | 600.57 | J/mol×K | 904.56 | Joback Calculated Property |
Similar Compounds
Sources
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