- InChI
- InChI=1S/C9H9F7O2/c1-4-6(2,3)18-5(17)7(10,11)8(12,13)9(14,15)16/h4H,1H2,2-3H3
- InChI Key
- OACFSDYVIMZLIH-UHFFFAOYSA-N
- Formula
- C9H9F7O2
- SMILES
-
C=CC(C)(C)OC(=O)C(F)(F)C(F)(F)
C(F)(F)F - Molecular Weight1
- 282.16
- 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° | -1473.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1756.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.21 | kJ/mol | Joback Calculated Property |
| log10WS | -3.71 | Crippen Calculated Property | |
| logPoct/wat | 3.327 | Crippen Calculated Property | |
| McVol | 153.200 | ml/mol | McGowan Calculated Property |
| Pc | 2005.50 | kPa | Joback Calculated Property |
| Inp | [833.10; 833.10] |
|
|
| Inp | 833.10 | NIST | |
| Inp | 833.10 | NIST | |
| Tboil | 460.26 | K | Joback Calculated Property |
| Tc | 619.07 | K | Joback Calculated Property |
| Tfus | 275.40 | K | Joback Calculated Property |
| Vc | 0.626 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [373.79; 439.13] | J/mol×K | [460.26; 619.07] |
|
| Cp,gas | 373.79 | J/mol×K | 460.26 | Joback Calculated Property |
| Cp,gas | 386.68 | J/mol×K | 486.73 | Joback Calculated Property |
| Cp,gas | 398.72 | J/mol×K | 513.20 | Joback Calculated Property |
| Cp,gas | 409.94 | J/mol×K | 539.66 | Joback Calculated Property |
| Cp,gas | 420.39 | J/mol×K | 566.13 | Joback Calculated Property |
| Cp,gas | 430.10 | J/mol×K | 592.60 | Joback Calculated Property |
| Cp,gas | 439.13 | J/mol×K | 619.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methyl-3-buten-2-ol, heptafluorobutyrate.
Sources
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