- InChI
- InChI=1S/C10H7FN2S/c11-9-3-1-7(2-4-9)5-8(6-12)10(13)14/h1-5H,(H2,13,14)/b8-5+
- InChI Key
- TXTBVZMAVKCLRA-VMPITWQZSA-N
- Formula
- C10H7FN2S
- SMILES
- N#CC(=Cc1ccc(F)cc1)C(N)=S
- Molecular Weight1
- 206.24
- CAS
- 68029-40-3
- ω : Acentric Factor.
- 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).
- 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).
- 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 | 0.5411 | Relay (1.0) Calculated Property | |
| ΔfG° | 329.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 136.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.019 | Crippen Calculated Property | |
| McVol | 148.880 | ml/mol | McGowan Calculated Property |
| Pc | 3356.75 | kPa | Joback Calculated Property |
| Tboil | 591.54 | K | Relay (1.0) Calculated Property |
| Tc | 839.07 | K | Relay (1.0) Calculated Property |
| Tfus | 414.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.492 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [346.74; 391.80] | J/mol×K | [707.82; 964.44] | 
|
| Cp,gas | 346.74 | J/mol×K | 707.82 | Joback Calculated Property |
| Cp,gas | 355.59 | J/mol×K | 750.59 | Joback Calculated Property |
| Cp,gas | 363.72 | J/mol×K | 793.36 | Joback Calculated Property |
| Cp,gas | 371.29 | J/mol×K | 836.13 | Joback Calculated Property |
| Cp,gas | 378.40 | J/mol×K | 878.90 | Joback Calculated Property |
| Cp,gas | 385.19 | J/mol×K | 921.67 | Joback Calculated Property |
| Cp,gas | 391.80 | J/mol×K | 964.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propenethioamide, 2-cyano-3-(4-fluorophenyl)-, (E)-.
Sources
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