- InChI
- InChI=1S/C12H12F5NOS/c1-5(6(2)20-3)18-19-4-7-8(13)10(15)12(17)11(16)9(7)14/h6H,4H2,1-3H3
- InChI Key
- IBRSSDPLIBYCFA-UHFFFAOYSA-N
- Formula
- C12H12F5NOS
- SMILES
-
CSC(C)C(C)=NOCc1c(F)c(F)c(F)c(
F)c1F - Molecular Weight1
- 313.29
- ΔfH°gas : Enthalpy of formation 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1115.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.04 | kJ/mol | Joback Calculated Property |
| log10WS | -5.34 | Crippen Calculated Property | |
| logPoct/wat | 4.026 | Crippen Calculated Property | |
| McVol | 192.930 | ml/mol | McGowan Calculated Property |
| Pc | 1692.12 | kPa | Joback Calculated Property |
| Inp | 1393.00 | NIST | |
| I | 1894.00 | NIST | |
| Tboil | 689.21 | K | Joback Calculated Property |
| Tc | 886.19 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butanone, 3-methylthio, PFBO # 1.
Sources
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