- InChI
- InChI=1S/C7H3Cl2NS/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H
- InChI Key
- QDZGJGWDGLHVNK-UHFFFAOYSA-N
- Formula
- C7H3Cl2NS
- SMILES
- Clc1ccc2nc(Cl)sc2c1
- Molecular Weight1
- 204.08
- CAS
- 3622-23-9
- Other Names
-
- 2,6-dichlorobenzothiazole
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase 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).
- 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 | 0.3972 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -3895.90 ± 4.60 | kJ/mol | NIST |
| ΔfG° | 185.16 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 142.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | 62.80 ± 4.60 | kJ/mol | NIST |
| ΔvapH° | 69.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.603 | Crippen Calculated Property | |
| McVol | 121.380 | ml/mol | McGowan Calculated Property |
| Pc | 4664.33 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 539.21 | K | Relay (1.0) Calculated Property |
| Tc | 828.98 | K | Relay (1.0) Calculated Property |
| Tfus | 348.32 | K | Relay (1.0) Calculated Property |
| Vc | 0.439 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Benzothiazole, 2,6-dichloro-.
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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