- InChI
- InChI=1S/C5H3F3O2/c1-2-3-10-4(9)5(6,7)8/h1H,3H2
- InChI Key
- HJGKWNJPZJFBCJ-UHFFFAOYSA-N
- Formula
- C5H3F3O2
- SMILES
- C#CCOC(=O)C(F)(F)F
- Molecular Weight1
- 152.07
- 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° | -601.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -696.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 31.99 | kJ/mol | Joback Calculated Property |
| log10WS | -1.24 | Crippen Calculated Property | |
| logPoct/wat | 0.725 | Crippen Calculated Property | |
| McVol | 85.460 | ml/mol | McGowan Calculated Property |
| Pc | 3810.39 | kPa | Joback Calculated Property |
| Inp | [711.00; 711.00] |
|
|
| Inp | 711.00 | NIST | |
| Inp | 711.00 | NIST | |
| Tboil | 374.79 | K | Joback Calculated Property |
| Tc | 547.75 | K | Joback Calculated Property |
| Tfus | 269.43 | K | Joback Calculated Property |
| Vc | 0.344 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [166.98; 202.36] | J/mol×K | [374.79; 547.75] |
|
| Cp,gas | 166.98 | J/mol×K | 374.79 | Joback Calculated Property |
| Cp,gas | 173.76 | J/mol×K | 403.62 | Joback Calculated Property |
| Cp,gas | 180.18 | J/mol×K | 432.44 | Joback Calculated Property |
| Cp,gas | 186.23 | J/mol×K | 461.27 | Joback Calculated Property |
| Cp,gas | 191.93 | J/mol×K | 490.10 | Joback Calculated Property |
| Cp,gas | 197.31 | J/mol×K | 518.92 | Joback Calculated Property |
| Cp,gas | 202.36 | J/mol×K | 547.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propargyl alcohol, trifluoroacetate.
Sources
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