- InChI
- InChI=1S/C5H5F3OS/c1-3(10)2-4(9)5(6,7)8/h2,10H,1H3/b3-2-
- InChI Key
- RCKPNIPOQOBBDS-IHWYPQMZSA-N
- Formula
- C5H5F3OS
- SMILES
- CC(S)=CC(=O)C(F)(F)F
- Molecular Weight1
- 170.15
- CAS
- 7141-17-5
- 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 | 0.2961 | Relay (1.0) Calculated Property | |
| ΔfG° | -618.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -781.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.951 | Crippen Calculated Property | |
| McVol | 100.240 | ml/mol | McGowan Calculated Property |
| Pc | 3763.78 | kPa | Joback Calculated Property |
| Tboil | 401.13 | K | Relay (1.0) Calculated Property |
| Tc | 551.24 | K | Relay (1.0) Calculated Property |
| Tfus | 267.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.327 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [194.92; 239.01] | J/mol×K | [429.15; 626.26] | 
|
| Cp,gas | 194.92 | J/mol×K | 429.15 | Joback Calculated Property |
| Cp,gas | 203.79 | J/mol×K | 462.00 | Joback Calculated Property |
| Cp,gas | 212.00 | J/mol×K | 494.85 | Joback Calculated Property |
| Cp,gas | 219.58 | J/mol×K | 527.71 | Joback Calculated Property |
| Cp,gas | 226.59 | J/mol×K | 560.56 | Joback Calculated Property |
| Cp,gas | 233.05 | J/mol×K | 593.41 | Joback Calculated Property |
| Cp,gas | 239.01 | J/mol×K | 626.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Penten-2-one, 1,1,1-trifluoro-4-mercapto.
Sources
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