- InChI
- InChI=1S/CH3BCl2S/c1-5-2(3)4/h1H3
- InChI Key
- SMLSWFRUBVGMKT-UHFFFAOYSA-N
- Formula
- CH3BCl2S
- SMILES
- CSB(Cl)Cl
- Molecular Weight1
- 128.82
- CAS
- 29878-05-5
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : 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.
- 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 | 0.2462 | Relay (1.0) Calculated Property | |
| ΔfG° | -82.97 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -241.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 31.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.45 | eV | NIST |
| log10WS | -2.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.812 | Crippen Calculated Property | |
| Pc | 4612.25 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 372.35 | K | Relay (1.0) Calculated Property |
| Tc | 559.01 | K | Relay (1.0) Calculated Property |
| Tfus | 190.90 | K | Relay (1.0) Calculated Property |
| Vc | 0.287 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Methylthiothichlroborane.
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
- NIST Webbook
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