- InChI
- InChI=1S/C14H12FNOS/c15-12-8-4-5-9-13(12)16-14(17)10-18-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)
- InChI Key
- GGSNUOCLYCAAKJ-UHFFFAOYSA-N
- Formula
- C14H12FNOS
- SMILES
- O=C(CSc1ccccc1)Nc1ccccc1F
- Molecular Weight1
- 261.31
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 80.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -84.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.15 | kJ/mol | Joback Calculated Property |
| log10WS | -3.98 | Crippen Calculated Property | |
| logPoct/wat | 3.556 | Crippen Calculated Property | |
| McVol | 190.270 | ml/mol | McGowan Calculated Property |
| Pc | 2868.87 | kPa | Joback Calculated Property |
| Inp | 2097.00 | NIST | |
| Tboil | 750.15 | K | Joback Calculated Property |
| Tc | 998.78 | K | Joback Calculated Property |
| Tfus | 450.48 | K | Joback Calculated Property |
| Vc | 0.717 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [498.78; 560.87] | J/mol×K | [750.15; 998.78] | 
|
| Cp,gas | 498.78 | J/mol×K | 750.15 | Joback Calculated Property |
| Cp,gas | 511.96 | J/mol×K | 791.59 | Joback Calculated Property |
| Cp,gas | 523.92 | J/mol×K | 833.03 | Joback Calculated Property |
| Cp,gas | 534.72 | J/mol×K | 874.47 | Joback Calculated Property |
| Cp,gas | 544.43 | J/mol×K | 915.90 | Joback Calculated Property |
| Cp,gas | 553.13 | J/mol×K | 957.34 | Joback Calculated Property |
| Cp,gas | 560.87 | J/mol×K | 998.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenylthioacetamide, N-(2-fluorophenyl)-.
Sources
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