- InChI
- InChI=1S/C11H8F4OS/c12-10(13)11(14,15)9(16)6-8(17)7-4-2-1-3-5-7/h1-6,10,17H/b8-6-
- InChI Key
- MSLYGLCPYFMEDK-VURMDHGXSA-N
- Formula
- C11H8F4OS
- SMILES
-
O=C(C=C(S)c1ccccc1)C(F)(F)C(F)
F - Molecular Weight1
- 264.24
- CAS
- 64249-79-2
- 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).
- 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° | -652.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -798.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.92 | kJ/mol | Joback Calculated Property |
| log10WS | -4.03 | Crippen Calculated Property | |
| logPoct/wat | 3.427 | Crippen Calculated Property | |
| McVol | 162.790 | ml/mol | McGowan Calculated Property |
| Pc | 2735.42 | kPa | Joback Calculated Property |
| Tboil | 591.94 | K | Joback Calculated Property |
| Tc | 810.47 | K | Joback Calculated Property |
| Tfus | 297.28 | K | Joback Calculated Property |
| Vc | 0.639 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [387.98; 448.84] | J/mol×K | [591.94; 810.47] | 
|
| Cp,gas | 387.98 | J/mol×K | 591.94 | Joback Calculated Property |
| Cp,gas | 400.50 | J/mol×K | 628.36 | Joback Calculated Property |
| Cp,gas | 411.96 | J/mol×K | 664.78 | Joback Calculated Property |
| Cp,gas | 422.44 | J/mol×K | 701.20 | Joback Calculated Property |
| Cp,gas | 432.02 | J/mol×K | 737.62 | Joback Calculated Property |
| Cp,gas | 440.80 | J/mol×K | 774.04 | Joback Calculated Property |
| Cp,gas | 448.84 | J/mol×K | 810.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Penten-3-one, 4,4,5,5-tetrafluoro-1-mercapto-1-phenyl-.
Sources
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