- InChI
- InChI=1S/C13H8F3NS/c14-13(15,16)8-4-3-6-10-12(8)18-11-7-2-1-5-9(11)17-10/h1-7,17H
- InChI Key
- NSWKFLADKSTFDS-UHFFFAOYSA-N
- Formula
- C13H8F3NS
- SMILES
- FC(F)(F)c1cccc2c1Sc1ccccc1N2
- Molecular Weight1
- 267.27
- CAS
- 343-21-5
- 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° | -118.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -287.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.94 | kJ/mol | Joback Calculated Property |
| log10WS | -5.04 | Crippen Calculated Property | |
| logPoct/wat | 4.914 | Crippen Calculated Property | |
| McVol | 167.290 | ml/mol | McGowan Calculated Property |
| Pc | 3059.17 | kPa | Joback Calculated Property |
| Tboil | 663.24 | K | Joback Calculated Property |
| Tc | 911.56 | K | Joback Calculated Property |
| Tfus | 545.04 | K | Joback Calculated Property |
| Vc | 0.639 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [417.52; 478.56] | J/mol×K | [663.24; 911.56] | 
|
| Cp,gas | 417.52 | J/mol×K | 663.24 | Joback Calculated Property |
| Cp,gas | 429.98 | J/mol×K | 704.63 | Joback Calculated Property |
| Cp,gas | 441.33 | J/mol×K | 746.01 | Joback Calculated Property |
| Cp,gas | 451.72 | J/mol×K | 787.40 | Joback Calculated Property |
| Cp,gas | 461.29 | J/mol×K | 828.79 | Joback Calculated Property |
| Cp,gas | 470.19 | J/mol×K | 870.18 | Joback Calculated Property |
| Cp,gas | 478.56 | J/mol×K | 911.56 | Joback Calculated Property |
Similar Compounds
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Sources
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