- InChI
- InChI=1S/C7H7F5O2/c1-3-4(2)14-5(13)6(8,9)7(10,11)12/h3-4H,1H2,2H3
- InChI Key
- LICUIFILUIGFCR-UHFFFAOYSA-N
- Formula
- C7H7F5O2
- SMILES
- C=CC(C)OC(=O)C(F)(F)C(F)(F)F
- Molecular Weight1
- 218.12
- 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° | -1108.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1310.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 32.60 | kJ/mol | Joback Calculated Property |
| log10WS | -2.56 | Crippen Calculated Property | |
| logPoct/wat | 2.302 | Crippen Calculated Property | |
| McVol | 121.480 | ml/mol | McGowan Calculated Property |
| Pc | 2548.19 | kPa | Joback Calculated Property |
| Inp | [719.50; 719.50] |
|
|
| Inp | 719.50 | NIST | |
| Inp | 719.50 | NIST | |
| Tboil | 421.98 | K | Joback Calculated Property |
| Tc | 582.58 | K | Joback Calculated Property |
| Tfus | 231.84 | K | Joback Calculated Property |
| Vc | 0.494 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [268.97; 323.96] | J/mol×K | [421.98; 582.58] |
|
| Cp,gas | 268.97 | J/mol×K | 421.98 | Joback Calculated Property |
| Cp,gas | 279.54 | J/mol×K | 448.75 | Joback Calculated Property |
| Cp,gas | 289.52 | J/mol×K | 475.51 | Joback Calculated Property |
| Cp,gas | 298.93 | J/mol×K | 502.28 | Joback Calculated Property |
| Cp,gas | 307.79 | J/mol×K | 529.05 | Joback Calculated Property |
| Cp,gas | 316.12 | J/mol×K | 555.81 | Joback Calculated Property |
| Cp,gas | 323.96 | J/mol×K | 582.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Buten-2-ol, pentafluoropropionate.
Sources
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