- InChI
- InChI=1S/C10H7ClN2S/c11-9-3-1-7(2-4-9)5-8(6-12)10(13)14/h1-5H,(H2,13,14)/b8-5+
- InChI Key
- RZHHDALLVIGWBS-VMPITWQZSA-N
- Formula
- C10H7ClN2S
- SMILES
- N#CC(=Cc1ccc(Cl)cc1)C(N)=S
- Molecular Weight1
- 222.69
- CAS
- 68029-53-8
- 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° | 512.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 412.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.06 | kJ/mol | Joback Calculated Property |
| log10WS | -3.97 | Crippen Calculated Property | |
| logPoct/wat | 2.533 | Crippen Calculated Property | |
| McVol | 159.350 | ml/mol | McGowan Calculated Property |
| Pc | 3388.08 | kPa | Joback Calculated Property |
| Tboil | 745.98 | K | Joback Calculated Property |
| Tc | 1016.91 | K | Joback Calculated Property |
| Tfus | 434.80 | K | Joback Calculated Property |
| Vc | 0.609 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [356.92; 400.99] | J/mol×K | [745.98; 1016.91] | 
|
| Cp,gas | 356.92 | J/mol×K | 745.98 | Joback Calculated Property |
| Cp,gas | 365.34 | J/mol×K | 791.14 | Joback Calculated Property |
| Cp,gas | 373.12 | J/mol×K | 836.29 | Joback Calculated Property |
| Cp,gas | 380.43 | J/mol×K | 881.45 | Joback Calculated Property |
| Cp,gas | 387.40 | J/mol×K | 926.60 | Joback Calculated Property |
| Cp,gas | 394.20 | J/mol×K | 971.76 | Joback Calculated Property |
| Cp,gas | 400.99 | J/mol×K | 1016.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propenethioamide, 3-(4-chlorophenyl)-2-cyano-, (E)-.
Sources
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