- InChI
- InChI=1S/C4H8Cl2S2/c5-1-3-7-8-4-2-6/h1-4H2
- InChI Key
- XDFZUXHZXUFQOS-UHFFFAOYSA-N
- Formula
- C4H8Cl2S2
- SMILES
- ClCCSSCCCl
- Molecular Weight1
- 191.14
- CAS
- 1002-41-1
- Other Names
-
- 1,6-Dichloro-3,4-dithiahexane
- 2,2'-Dichloroethyl disulfide
- Bis(2-chloroethyl) disulfide
- Mustard disulfide
- ω : Acentric Factor.
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3936 | Relay (1.0) Calculated Property | |
| ΔfG° | 25.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -113.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.845 | Crippen Calculated Property | |
| McVol | 124.400 | ml/mol | McGowan Calculated Property |
| Pc | 3708.97 | kPa | Joback Calculated Property |
| Inp | [1336.00; 1391.20] |
|
|
| Inp | 1336.00 | NIST | |
| Inp | 1391.20 | NIST | |
| Inp | 1391.00 | NIST | |
| Tboil | 524.91 | K | Relay (1.0) Calculated Property |
| Tc | 754.46 | K | Relay (1.0) Calculated Property |
| Tfus | 241.52 | K | Relay (1.0) Calculated Property |
| Vc | 0.424 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [219.45; 264.31] | J/mol×K | [503.34; 734.06] |
|
| Cp,gas | 219.45 | J/mol×K | 503.34 | Joback Calculated Property |
| Cp,gas | 228.07 | J/mol×K | 541.79 | Joback Calculated Property |
| Cp,gas | 236.24 | J/mol×K | 580.25 | Joback Calculated Property |
| Cp,gas | 243.95 | J/mol×K | 618.70 | Joback Calculated Property |
| Cp,gas | 251.20 | J/mol×K | 657.16 | Joback Calculated Property |
| Cp,gas | 257.98 | J/mol×K | 695.61 | Joback Calculated Property |
| Cp,gas | 264.31 | J/mol×K | 734.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Disulfide, bis(2-chloroethyl).
Sources
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