- InChI
- InChI=1S/C11H16O3/c1-10(2)5-7(12)6-11(3)8(10)4-9(13)14-11/h4,7,12H,5-6H2,1-3H3/t7-,11+/m1/s1
- InChI Key
- XEVQXKKKAVVSMW-HQJQHLMTSA-N
- Formula
- C11H16O3
- SMILES
- CC1(C)CC(O)CC2(C)OC(=O)C=C12
- Molecular Weight1
- 196.24
- 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° | -216.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -508.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.20 | kJ/mol | Joback Calculated Property |
| log10WS | -2.18 | Crippen Calculated Property | |
| logPoct/wat | 1.409 | Crippen Calculated Property | |
| McVol | 153.140 | ml/mol | McGowan Calculated Property |
| Pc | 3291.59 | kPa | Joback Calculated Property |
| I | [3228.00; 3228.00] |
|
|
| I | 3228.00 | NIST | |
| I | 3228.00 | NIST | |
| Tboil | 664.27 | K | Joback Calculated Property |
| Tc | 889.62 | K | Joback Calculated Property |
| Tfus | 451.50 | K | Joback Calculated Property |
| Vc | 0.570 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [442.58; 529.19] | J/mol×K | [664.27; 889.62] |
|
| Cp,gas | 442.58 | J/mol×K | 664.27 | Joback Calculated Property |
| Cp,gas | 457.59 | J/mol×K | 701.83 | Joback Calculated Property |
| Cp,gas | 472.08 | J/mol×K | 739.39 | Joback Calculated Property |
| Cp,gas | 486.28 | J/mol×K | 776.95 | Joback Calculated Property |
| Cp,gas | 500.39 | J/mol×K | 814.51 | Joback Calculated Property |
| Cp,gas | 514.62 | J/mol×K | 852.06 | Joback Calculated Property |
| Cp,gas | 529.19 | J/mol×K | 889.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to isololiolide.
Sources
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