- InChI
- InChI=1S/C5H5F3OS/c1-3(10)2-4(9)5(6,7)8/h2,9H,1H3/b4-2-
- InChI Key
- FQAMDKVTRBLKOJ-RQOWECAXSA-N
- Formula
- C5H5F3OS
- SMILES
- CC(=S)C=C(O)C(F)(F)F
- Molecular Weight1
- 170.15
- CAS
- 88551-99-9
- 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 | 0.4195 | Relay (... Calculated Property | |
| ΔfG° | -538.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -806.21 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 18.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.39 | kJ/mol | Relay (... Calculated Property |
| IE | 9.13 | eV | Relay (... Calculated Property |
| log10WS | -1.23 | Relay (... Calculated Property | |
| logPoct/wat | 2.380 | Crippen Calculated Property | |
| McVol | 100.240 | ml/mol | McGowan Calculated Property |
| Pc | 4041.50 | kPa | Joback Calculated Property |
| Tboil | 450.26 | K | Relay (... Calculated Property |
| Tc | 608.85 | K | Relay (... Calculated Property |
| Tfus | 330.92 | K | Relay (... Calculated Property |
| Vc | 0.321 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [209.08; 244.06] | J/mol×K | [474.64; 656.39] | 
|
| Cp,gas | 209.08 | J/mol×K | 474.64 | Joback Calculated Property |
| Cp,gas | 216.29 | J/mol×K | 504.93 | Joback Calculated Property |
| Cp,gas | 222.89 | J/mol×K | 535.22 | Joback Calculated Property |
| Cp,gas | 228.91 | J/mol×K | 565.51 | Joback Calculated Property |
| Cp,gas | 234.42 | J/mol×K | 595.81 | Joback Calculated Property |
| Cp,gas | 239.45 | J/mol×K | 626.10 | Joback Calculated Property |
| Cp,gas | 244.06 | J/mol×K | 656.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Pentene-2-thione,5,5,5-trifluoro-4-hydroxy-.
Sources
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