- InChI
- InChI=1S/C10H7F3N2O2S/c1-17-5-3-2-4-6-7(5)14-9(18-6)15-8(16)10(11,12)13/h2-4H,1H3,(H,14,15,16)
- InChI Key
- FIFSMPPVRLCFOT-UHFFFAOYSA-N
- Formula
- C10H7F3N2O2S
- SMILES
-
COc1cccc2sc(NC(=O)C(F)(F)F)nc1
2 - Molecular Weight1
- 276.24
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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).
- Inp : Non-polar retention indices.
- 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 | 0.5701 | Relay (1.0) Calculated Property | |
| ΔfG° | -551.16 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -752.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 92.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.806 | Crippen Calculated Property | |
| McVol | 161.900 | ml/mol | McGowan Calculated Property |
| Pc | 2802.16 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1950.00; 1950.00] |
|
|
| Inp | 1950.00 | NIST | |
| Inp | 1950.00 | NIST | |
| Tboil | 576.63 | K | Relay (1.0) Calculated Property |
| Tc | 815.60 | K | Relay (1.0) Calculated Property |
| Tfus | 428.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.580 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,2-Trifluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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