- InChI
- InChI=1S/C6H12Cl2S2/c7-1-3-9-5-6-10-4-2-8/h1-6H2
- InChI Key
- AMGNHZVUZWILSB-UHFFFAOYSA-N
- Formula
- C6H12Cl2S2
- SMILES
- ClCCSCCSCCCl
- Molecular Weight1
- 219.19
- CAS
- 3563-36-8
- Other Names
-
- 1,2-Bis(2-chloroethylthio)ethane
- Ethane, 1,2-bis(2-chloro-ethylthio)-
- Ethane, 1,2-bis((2-chloroethyl)mercapto)-
- HSM 1
- Sesqui-mustard Q
- Sesquisulfur Mustard
- SM 1
- SSM
- TL 86
- Bis(2-chloroethylthio)ethane
- 1,2-Bis(«beta»-chloroethylthio)ethane
- 1,8-Dichloro-3,6-dithiaoctane
- 3,6-Dithia-1,8-octanedichloride
- Agent Q
- NSC 30025
- 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).
- Inp : Non-polar retention indices.
- 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° | 42.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -114.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.35 | kJ/mol | Joback Calculated Property |
| log10WS | -2.41 | Crippen Calculated Property | |
| logPoct/wat | 2.930 | Crippen Calculated Property | |
| McVol | 152.580 | ml/mol | McGowan Calculated Property |
| Pc | 2973.04 | kPa | Joback Calculated Property |
| Inp | [1684.00; 1703.30] |
|
|
| Inp | 1703.00 | NIST | |
| Inp | 1684.00 | NIST | |
| Inp | 1703.30 | NIST | |
| Inp | 1688.80 | NIST | |
| Tboil | 549.10 | K | Joback Calculated Property |
| Tc | 771.60 | K | Joback Calculated Property |
| Tfus | 286.02 | K | Joback Calculated Property |
| Vc | 0.578 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [303.31; 360.98] | J/mol×K | [549.10; 771.60] |
|
| Cp,gas | 303.31 | J/mol×K | 549.10 | Joback Calculated Property |
| Cp,gas | 314.43 | J/mol×K | 586.18 | Joback Calculated Property |
| Cp,gas | 324.93 | J/mol×K | 623.27 | Joback Calculated Property |
| Cp,gas | 334.84 | J/mol×K | 660.35 | Joback Calculated Property |
| Cp,gas | 344.14 | J/mol×K | 697.44 | Joback Calculated Property |
| Cp,gas | 352.85 | J/mol×K | 734.52 | Joback Calculated Property |
| Cp,gas | 360.98 | J/mol×K | 771.60 | Joback Calculated Property |
Similar Compounds
![Bis[(2-chloroethyltyio)ethyl] sulfide.](data:image/png;base64,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)
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Sources
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