- InChI
- InChI=1S/C8H10F4OS/c1-4(2)5(14)3-6(13)8(11,12)7(9)10/h3-4,7,13H,1-2H3/b6-3-
- InChI Key
- QVFZBPQSLIKSIW-UTCJRWHESA-N
- Formula
- C8H10F4OS
- SMILES
- CC(C)C(=S)C=C(O)C(F)(F)C(F)F
- Molecular Weight1
- 230.22
- CAS
- 88552-01-6
- 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 | 0.5119 | Relay (1.0) Calculated Property | |
| ΔfG° | -712.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1071.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.355 | Crippen Calculated Property | |
| McVol | 144.280 | ml/mol | McGowan Calculated Property |
| Pc | 2799.47 | kPa | Joback Calculated Property |
| Tboil | 466.15 | K | Relay (1.0) Calculated Property |
| Tc | 648.85 | K | Relay (1.0) Calculated Property |
| Tfus | 347.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.486 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [343.22; 392.79] | J/mol×K | [541.67; 717.20] | 
|
| Cp,gas | 343.22 | J/mol×K | 541.67 | Joback Calculated Property |
| Cp,gas | 353.00 | J/mol×K | 570.93 | Joback Calculated Property |
| Cp,gas | 362.11 | J/mol×K | 600.18 | Joback Calculated Property |
| Cp,gas | 370.59 | J/mol×K | 629.44 | Joback Calculated Property |
| Cp,gas | 378.50 | J/mol×K | 658.69 | Joback Calculated Property |
| Cp,gas | 385.88 | J/mol×K | 687.95 | Joback Calculated Property |
| Cp,gas | 392.79 | J/mol×K | 717.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Heptene-3-thione,6,6,7,7-tetrafluoro-5-hydroxy-2-methyl-.
Sources
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