- InChI
- InChI=1S/C2H4Cl2S/c3-1-5-2-4/h1-2H2
- InChI Key
- KRIFIIWBVJKVST-UHFFFAOYSA-N
- Formula
- C2H4Cl2S
- SMILES
- ClCSCCl
- Molecular Weight1
- 131.02
- CAS
- 3592-44-7
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor 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 | 0.2434 | Relay (1.0) Calculated Property | |
| ΔfG° | -24.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -88.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.112 | Crippen Calculated Property | |
| McVol | 79.870 | ml/mol | McGowan Calculated Property |
| Pc | 4646.65 | kPa | Joback Calculated Property |
| Tboil | 443.51 | K | Relay (1.0) Calculated Property |
| Tc | 655.17 | K | Relay (1.0) Calculated Property |
| Tfus | 241.30 | K | Relay (1.0) Calculated Property |
| Vc | 0.273 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [112.14; 137.43] | J/mol×K | [388.80; 600.72] | 
|
| Cp,gas | 112.14 | J/mol×K | 388.80 | Joback Calculated Property |
| Cp,gas | 116.87 | J/mol×K | 424.12 | Joback Calculated Property |
| Cp,gas | 121.38 | J/mol×K | 459.44 | Joback Calculated Property |
| Cp,gas | 125.70 | J/mol×K | 494.76 | Joback Calculated Property |
| Cp,gas | 129.81 | J/mol×K | 530.08 | Joback Calculated Property |
| Cp,gas | 133.72 | J/mol×K | 565.40 | Joback Calculated Property |
| Cp,gas | 137.43 | J/mol×K | 600.72 | Joback Calculated Property |
| ΔvapH | 45.10 | kJ/mol | 375.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.27; 202.67] | kPa | [320.00; 454.50] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.73866e+01 | |||
| Coefficient B | -5.48811e+03 | |||
| Temperature range, min. | 320.00 | |||
| Temperature range, max. | 454.50 | |||
| Pvap | 1.27 | kPa | 320.00 | Calculated Property |
| Pvap | 2.72 | kPa | 334.94 | Calculated Property |
| Pvap | 5.48 | kPa | 349.89 | Calculated Property |
| Pvap | 10.42 | kPa | 364.83 | Calculated Property |
| Pvap | 18.84 | kPa | 379.78 | Calculated Property |
| Pvap | 32.55 | kPa | 394.72 | Calculated Property |
| Pvap | 54.06 | kPa | 409.67 | Calculated Property |
| Pvap | 86.63 | kPa | 424.61 | Calculated Property |
| Pvap | 134.43 | kPa | 439.56 | Calculated Property |
| Pvap | 202.67 | kPa | 454.50 | Calculated Property |
Similar Compounds
Find more compounds similar to Bis(chloromethyl) sulfide.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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