- InChI
- InChI=1S/C9H12F4OS/c1-8(2,3)6(15)4-5(14)9(12,13)7(10)11/h4,7,14H,1-3H3/b5-4-
- InChI Key
- NFPAIKOONPWMFB-PLNGDYQASA-N
- Formula
- C9H12F4OS
- SMILES
-
CC(C)(C)C(=S)C=C(O)C(F)(F)C(F)
F - Molecular Weight1
- 244.25
- CAS
- 88552-02-7
- 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° | -699.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -934.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.83 | kJ/mol | Joback Calculated Property |
| log10WS | -4.00 | Crippen Calculated Property | |
| logPoct/wat | 3.745 | Crippen Calculated Property | |
| McVol | 158.370 | ml/mol | McGowan Calculated Property |
| Pc | 2563.69 | kPa | Joback Calculated Property |
| Tboil | 561.76 | K | Joback Calculated Property |
| Tc | 741.68 | K | Joback Calculated Property |
| Tfus | 259.44 | K | Joback Calculated Property |
| Vc | 0.620 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [391.62; 445.67] | J/mol×K | [561.76; 741.68] | 
|
| Cp,gas | 391.62 | J/mol×K | 561.76 | Joback Calculated Property |
| Cp,gas | 402.41 | J/mol×K | 591.75 | Joback Calculated Property |
| Cp,gas | 412.40 | J/mol×K | 621.73 | Joback Calculated Property |
| Cp,gas | 421.65 | J/mol×K | 651.72 | Joback Calculated Property |
| Cp,gas | 430.23 | J/mol×K | 681.71 | Joback Calculated Property |
| Cp,gas | 438.22 | J/mol×K | 711.69 | Joback Calculated Property |
| Cp,gas | 445.67 | J/mol×K | 741.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Heptene-3-thione,6,6,7,7-tetrafluoro-5-hydroxy-2,2-dimethyl-.
Sources
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