- InChI
- InChI=1S/C4H9ClOS/c5-1-3-7-4-2-6/h6H,1-4H2
- InChI Key
- ZGFPMAMREQRRRB-UHFFFAOYSA-N
- Formula
- C4H9ClOS
- SMILES
- OCCSCCCl
- Molecular Weight1
- 140.63
- CAS
- 693-30-1
- Other Names
-
- Half mustard gas
- Half sulfur mustard
- Hemisulfur mustard
- HSM
- Mustard chlorohydrin
- Sulfide, 2-chloroethyl 2-hydroxyethyl
- Sulfur half-mustard
- 2-Chloroethyl 2-hydroxyethyl sulfide
- 2-Chloroethyl-2'-hydroxyethyl sulfide
- 2-Hydroxyethyl 2-chloroethyl sulfide
- «beta»-Chloroethyl «beta»-hydroxyethyl sulfide
- 2-((2-Chloroethyl)thio)ethanol
- 2-Chloro-2'-hydroxydiethylsulfide
- NSC 30024
- 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° | -132.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -251.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.38 | kJ/mol | Joback Calculated Property |
| log10WS | -0.80 | Crippen Calculated Property | |
| logPoct/wat | 0.951 | Crippen Calculated Property | |
| McVol | 101.680 | ml/mol | McGowan Calculated Property |
| Pc | 4271.86 | kPa | Joback Calculated Property |
| Inp | [1132.00; 1177.50] |
|
|
| Inp | 1132.00 | NIST | |
| Inp | 1177.50 | NIST | |
| Inp | 1132.00 | NIST | |
| Inp | 1177.50 | NIST | |
| Inp | 1132.00 | NIST | |
| Tboil | 489.31 | K | Joback Calculated Property |
| Tc | 679.17 | K | Joback Calculated Property |
| Tfus | 259.98 | K | Joback Calculated Property |
| Vc | 0.382 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [196.35; 235.96] | J/mol×K | [489.31; 679.17] |
|
| Cp,gas | 196.35 | J/mol×K | 489.31 | Joback Calculated Property |
| Cp,gas | 203.74 | J/mol×K | 520.95 | Joback Calculated Property |
| Cp,gas | 210.81 | J/mol×K | 552.60 | Joback Calculated Property |
| Cp,gas | 217.56 | J/mol×K | 584.24 | Joback Calculated Property |
| Cp,gas | 224.00 | J/mol×K | 615.88 | Joback Calculated Property |
| Cp,gas | 230.13 | J/mol×K | 647.52 | Joback Calculated Property |
| Cp,gas | 235.96 | J/mol×K | 679.17 | Joback Calculated Property |
Similar Compounds
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Find more compounds similar to Ethanol, 2-(2-chloro-ethylthio)-.
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