- InChI
- InChI=1S/C4H8Cl2S/c5-1-3-7-4-2-6/h1-4H2
- InChI Key
- QKSKPIVNLNLAAV-UHFFFAOYSA-N
- Formula
- C4H8Cl2S
- SMILES
- ClCCSCCCl
- Molecular Weight1
- 159.08
- CAS
- 505-60-2
- Other Names
-
- 1,1'-Thiobis(2-chloroethane)
- 1-Chloro-2-(«beta»-chloroethylthio)ethane
- 1-Chloro-2-(«beta»-chloroethylthio)ethane
- 1-chloro-2-(.beta.-chloroethylthio)ethane
- 2,2'-Dichlorodiethyl sulfide
- 2,2'-Dichloroethyl sulfide
- Agent THD
- Agent hd
- Bis(2-chloroethyl) sulfide
- Bis(2-chloroethyl) sulphide
- Bis(«beta»-chloroethyl) sulfide
- Bis(«beta»-chloroethyl) sulfide
- Di(2-chloroethyl) sulfide
- Distilled mustard
- Ethane, 1,1'-thiobis[2-chloro-
- Gelbkreuz
- HD
- Iprit
- Kampfstoff "lost"
- Kampstoff lost
- Lost
- Mustard
- Mustard HD
- Mustard Vapor
- Mustard, sulfur
- S Lost
- S Mustard
- S-Yperite
- Schwefel-lost
- Senfgas
- Sulfide, bis(2-chloroethyl)
- Sulfur mustard
- Sulfur mustard gas
- THD
- Yellow cross gas
- Yellow cross liquid
- Yperite
- beta,beta'-Dichlorodiethyl sulfide
- bis(.beta.-chloroethyl) sulfide
- «beta»,«beta»'-Dichloroethyl sulfide
- «beta»,«beta»-Dichloroethyl sulfide
- «beta»-Chloroethylisobutyl sulfide
- «beta»,«beta»'-Dichloroethyl sulfide
- «beta»,«beta»-Dichloroethyl sulfide
- «beta»-Chloroethylisobutyl sulfide
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Psub : Sublimation pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : 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 |
|---|---|---|---|
| ΔcH°liquid | -3163.50 ± 1.30 | kJ/mol | NIST |
| ΔfG° | -7.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -115.50 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | -200.50 ± 1.60 | kJ/mol | NIST |
| ΔfusH° | 18.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.80 ± 2.10 | kJ/mol | NIST |
| log10WS | -1.69 | Crippen Calculated Property | |
| logPoct/wat | 2.197 | Crippen Calculated Property | |
| McVol | 108.050 | ml/mol | McGowan Calculated Property |
| Pc | 3633.35 | kPa | Joback Calculated Property |
| Inp | [1123.80; 1183.00] |
|
|
| Inp | 1178.00 | NIST | |
| Inp | 1177.00 | NIST | |
| Inp | 1177.07 | NIST | |
| Inp | 1177.07 | NIST | |
| Inp | 1173.25 | NIST | |
| Inp | 1173.59 | NIST | |
| Inp | 1136.00 | NIST | |
| Inp | 1175.50 | NIST | |
| Inp | 1124.00 | NIST | |
| Inp | 1172.70 | NIST | |
| Inp | 1123.80 | NIST | |
| Inp | 1124.80 | NIST | |
| Inp | 1172.70 | NIST | |
| Inp | 1174.10 | NIST | |
| Inp | 1178.00 | NIST | |
| Inp | 1183.00 | NIST | |
| Inp | 1131.00 | NIST | |
| Inp | 1175.00 | NIST | |
| Inp | 1178.00 | NIST | |
| Inp | 1131.00 | NIST | |
| Inp | 1124.00 | NIST | |
| Inp | 1124.00 | NIST | |
| Inp | 1178.00 | NIST | |
| Inp | 1175.00 | NIST | |
| Inp | 1173.59 | NIST | |
| Inp | 1123.80 | NIST | |
| I | [1820.00; 1820.00] |
|
|
| I | 1820.00 | NIST | |
| I | 1820.00 | NIST | |
| Tboil | 489.20 | K | NIST |
| Tc | 641.96 | K | Joback Calculated Property |
| Tfus | 229.08 | K | Joback Calculated Property |
| Vc | 0.411 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [180.38; 223.12] | J/mol×K | [434.56; 641.96] |
|
| Cp,gas | 180.38 | J/mol×K | 434.56 | Joback Calculated Property |
| Cp,gas | 188.42 | J/mol×K | 469.13 | Joback Calculated Property |
| Cp,gas | 196.08 | J/mol×K | 503.69 | Joback Calculated Property |
| Cp,gas | 203.38 | J/mol×K | 538.26 | Joback Calculated Property |
| Cp,gas | 210.31 | J/mol×K | 572.82 | Joback Calculated Property |
| Cp,gas | 216.89 | J/mol×K | 607.39 | Joback Calculated Property |
| Cp,gas | 223.12 | J/mol×K | 641.96 | Joback Calculated Property |
| ΔsubH | [77.20; 80.90] | kJ/mol | [270.50; 275.00] |
|
| ΔsubH | 80.90 | kJ/mol | 270.50 | NIST |
| ΔsubH | 77.20 | kJ/mol | 275.00 | NIST |
| ΔvapH | [50.30; 59.60] | kJ/mol | [323.00; 373.00] |
|
| ΔvapH | 59.60 | kJ/mol | 323.00 | NIST |
| ΔvapH | 50.30 | kJ/mol | 373.00 | NIST |
| Psub | [2.77e-05; 4.81e-03] | kPa | [248.15; 286.15] |
|
| Psub | 2.77e-05 | kPa | 248.15 | Vapor P... |
| Psub | 5.60e-05 | kPa | 253.15 | Vapor P... |
| Psub | 1.18e-04 | kPa | 258.15 | Vapor P... |
| Psub | 2.41e-04 | kPa | 263.15 | Vapor P... |
| Psub | 4.90e-04 | kPa | 268.15 | Vapor P... |
| Psub | 9.84e-04 | kPa | 273.15 | Vapor P... |
| Psub | 1.86e-03 | kPa | 278.15 | Vapor P... |
| Psub | 3.34e-03 | kPa | 283.15 | Vapor P... |
| Psub | 4.81e-03 | kPa | 286.15 | Vapor P... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [375.03; 514.61] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.80721e+01 | |||
| Coefficient B | -6.30480e+03 | |||
| Coefficient C | -2.05220e+01 | |||
| Temperature range, min. | 375.03 | |||
| Temperature range, max. | 514.61 | |||
| Pvap | 1.33 | kPa | 375.03 | Calculated Property |
| Pvap | 2.81 | kPa | 390.54 | Calculated Property |
| Pvap | 5.58 | kPa | 406.05 | Calculated Property |
| Pvap | 10.49 | kPa | 421.56 | Calculated Property |
| Pvap | 18.84 | kPa | 437.07 | Calculated Property |
| Pvap | 32.44 | kPa | 452.57 | Calculated Property |
| Pvap | 53.79 | kPa | 468.08 | Calculated Property |
| Pvap | 86.22 | kPa | 483.59 | Calculated Property |
| Pvap | 134.03 | kPa | 499.10 | Calculated Property |
| Pvap | 202.67 | kPa | 514.61 | Calculated Property |
Similar Compounds
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Find more compounds similar to Mustard Gas.
Sources
- Crippen Method
- Crippen Method
- Vapor Pressure of Solid Bis(2-chloroethyl) Sulfide
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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