- InChI
- InChI=1S/C5H7F3O3/c1-4(11,2-3(9)10)5(6,7)8/h11H,2H2,1H3,(H,9,10)
- InChI Key
- JCJGOWYCFRASTM-UHFFFAOYSA-N
- Formula
- C5H7F3O3
- SMILES
- CC(O)(CC(=O)O)C(F)(F)F
- Molecular Weight1
- 172.10
- CAS
- 338-03-4
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ω | 0.7001 | Relay (1.0) Calculated Property | |
| ΔfG° | -990.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1306.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.02 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.774 | Crippen Calculated Property | |
| McVol | 99.930 | ml/mol | McGowan Calculated Property |
| Pc | 4173.09 | kPa | Joback Calculated Property |
| Tboil | 451.21 | K | Relay (1.0) Calculated Property |
| Tc | 625.39 | K | Relay (1.0) Calculated Property |
| Tfus | 325.06 | K | Relay (1.0) Calculated Property |
| Vc | 0.357 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [256.99; 291.23] | J/mol×K | [543.38; 705.79] | 
|
| Cp,gas | 256.99 | J/mol×K | 543.38 | Joback Calculated Property |
| Cp,gas | 263.74 | J/mol×K | 570.45 | Joback Calculated Property |
| Cp,gas | 270.03 | J/mol×K | 597.52 | Joback Calculated Property |
| Cp,gas | 275.90 | J/mol×K | 624.58 | Joback Calculated Property |
| Cp,gas | 281.38 | J/mol×K | 651.65 | Joback Calculated Property |
| Cp,gas | 286.48 | J/mol×K | 678.72 | Joback Calculated Property |
| Cp,gas | 291.23 | J/mol×K | 705.79 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 361.50 ± 1.50 | K | 0.07 | NIST |
Similar Compounds
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[2H5]mevalonate.](data:image/png;base64,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)
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