- InChI
- InChI=1S/C5H5F3O2/c1-2-3-10-4(9)5(6,7)8/h2H,1,3H2
- InChI Key
- XIVPVSIDXBTZLM-UHFFFAOYSA-N
- Formula
- C5H5F3O2
- SMILES
- C=CCOC(=O)C(F)(F)F
- Molecular Weight1
- 154.09
- CAS
- 383-67-5
- Other Names
-
- Allyl trifluoracetate
- Acetic acid, trifluoro-, 2-propenyl ester
- Acetic acid, trifluoro-, allyl ester
- Trifluoroacetic acid, 2-propenyl ester
- Allyl alcohol, trifluoroacetate
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3095 | Relay (1.0) Calculated Property | |
| ΔfG° | -736.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -906.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.278 | Crippen Calculated Property | |
| McVol | 89.760 | ml/mol | McGowan Calculated Property |
| Pc | 3356.75 | kPa | Joback Calculated Property |
| Inp | [708.30; 708.30] |
|
|
| Inp | 708.30 | NIST | |
| Inp | 708.30 | NIST | |
| Tboil | 356.39 | K | Relay (1.0) Calculated Property |
| Tc | 482.31 | K | Relay (1.0) Calculated Property |
| Tfus | 195.26 | K | Relay (1.0) Calculated Property |
| Vc | 0.313 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [175.99; 217.50] | J/mol×K | [381.35; 546.30] |
|
| Cp,gas | 175.99 | J/mol×K | 381.35 | Joback Calculated Property |
| Cp,gas | 183.82 | J/mol×K | 408.84 | Joback Calculated Property |
| Cp,gas | 191.27 | J/mol×K | 436.33 | Joback Calculated Property |
| Cp,gas | 198.35 | J/mol×K | 463.83 | Joback Calculated Property |
| Cp,gas | 205.08 | J/mol×K | 491.32 | Joback Calculated Property |
| Cp,gas | 211.46 | J/mol×K | 518.81 | Joback Calculated Property |
| Cp,gas | 217.50 | J/mol×K | 546.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Allyl trifluoroacetate.
Sources
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