- InChI
- InChI=1S/C7H6ClNS/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10)
- InChI Key
- FLQYOORLPNYQEV-UHFFFAOYSA-N
- Formula
- C7H6ClNS
- SMILES
- NC(=S)c1ccccc1Cl
- Molecular Weight1
- 171.65
- CAS
- 15717-17-6
- Other Names
-
- Benzenecarbothioamide, 2-chloro-
- Benzamide, o-chlorothio-
- 2-Chlorobenzenecarbothioamide
- 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 |
|---|---|---|---|
| ΔfG° | 282.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 201.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.87 | kJ/mol | Joback Calculated Property |
| IE | 8.80 | eV | NIST |
| log10WS | -2.93 | Crippen Calculated Property | |
| logPoct/wat | 1.974 | Crippen Calculated Property | |
| McVol | 120.000 | ml/mol | McGowan Calculated Property |
| Pc | 4678.49 | kPa | Joback Calculated Property |
| Tboil | 571.22 | K | Joback Calculated Property |
| Tc | 833.59 | K | Joback Calculated Property |
| Tfus | 355.04 | K | Joback Calculated Property |
| Vc | 0.433 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [234.81; 278.62] | J/mol×K | [571.22; 833.59] | 
|
| Cp,gas | 234.81 | J/mol×K | 571.22 | Joback Calculated Property |
| Cp,gas | 243.97 | J/mol×K | 614.95 | Joback Calculated Property |
| Cp,gas | 252.25 | J/mol×K | 658.68 | Joback Calculated Property |
| Cp,gas | 259.76 | J/mol×K | 702.40 | Joback Calculated Property |
| Cp,gas | 266.59 | J/mol×K | 746.13 | Joback Calculated Property |
| Cp,gas | 272.84 | J/mol×K | 789.86 | Joback Calculated Property |
| Cp,gas | 278.62 | J/mol×K | 833.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chlorothiobenzamide.
Sources
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