- InChI
- InChI=1S/C6H9F3O3/c1-2-12-5(11)3-4(10)6(7,8)9/h4,10H,2-3H2,1H3
- InChI Key
- ZWEDFBKLJILTMC-UHFFFAOYSA-N
- Formula
- C6H9F3O3
- SMILES
- CCOC(=O)CC(O)C(F)(F)F
- Molecular Weight1
- 186.13
- CAS
- 372-30-5
- Other Names
-
- Butanoic acid, 4,4,4-trifluoro-3-hydroxy-, ethyl ester
- 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).
- 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 | 0.5859 | Relay (... Calculated Property | |
| ΔfG° | -955.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1294.03 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 16.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.12 | kJ/mol | Relay (... Calculated Property |
| IE | 10.89 | eV | Relay (... Calculated Property |
| log10WS | -0.28 | Relay (... Calculated Property | |
| logPoct/wat | 0.863 | Crippen Calculated Property | |
| McVol | 114.020 | ml/mol | McGowan Calculated Property |
| Pc | 3213.68 | kPa | Joback Calculated Property |
| Tboil | 428.54 | K | Relay (... Calculated Property |
| Tc | 583.13 | K | Relay (... Calculated Property |
| Tfus | 269.75 | K | Relay (... Calculated Property |
| Vc | 0.416 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [274.25; 319.84] | J/mol×K | [499.29; 659.88] | 
|
| Cp,gas | 274.25 | J/mol×K | 499.29 | Joback Calculated Property |
| Cp,gas | 282.81 | J/mol×K | 526.06 | Joback Calculated Property |
| Cp,gas | 290.97 | J/mol×K | 552.82 | Joback Calculated Property |
| Cp,gas | 298.74 | J/mol×K | 579.59 | Joback Calculated Property |
| Cp,gas | 306.14 | J/mol×K | 606.35 | Joback Calculated Property |
| Cp,gas | 313.17 | J/mol×K | 633.12 | Joback Calculated Property |
| Cp,gas | 319.84 | J/mol×K | 659.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl 3-hydroxy-4,4,4-trifluorobutyrate.
Sources
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