- InChI
- InChI=1S/C3H5ClS/c4-1-3-2-5-3/h3H,1-2H2
- InChI Key
- XRWMHJJHPQTTLQ-UHFFFAOYSA-N
- Formula
- C3H5ClS
- SMILES
- ClCC1CS1
- Molecular Weight1
- 108.59
- CAS
- 3221-15-6
- Other Names
-
- Chloropropylene sulfide
- Epithiochlorohydrin
- Propane, 1-chloro-2,3-epithio-
- Thiirane, (chloromethyl)-
- Thiirane, 2-(chloromethyl)-
- Thioepichlorhydrin
- Thioepichlorohydrin
- 1-Chloro-2,3-epithiopropane
- 2-(Chloromethyl)ethylene sulfide
- 2-(Chloromethyl)thiirane
- 2-Thiiranylmethyl chloride
- 3-Chloropropylene sulfide
- Chloropropylene sulphide
- 3-Chloropropene sulfide
- 3-Chloro-1,2-propylene sulfide
- 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° | 63.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 32.38 | kJ/mol | Joback Calculated Property |
| log10WS | -1.12 | Crippen Calculated Property | |
| logPoct/wat | 1.341 | Crippen Calculated Property | |
| McVol | 70.860 | ml/mol | McGowan Calculated Property |
| Pc | 4966.33 | kPa | Joback Calculated Property |
| Inp | 835.00 | NIST | |
| Tboil | 360.04 | K | Joback Calculated Property |
| Tc | 568.99 | K | Joback Calculated Property |
| Tfus | 254.88 | K | Joback Calculated Property |
| Vc | 0.256 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [105.50; 143.89] | J/mol×K | [360.04; 568.99] | 
|
| Cp,gas | 105.50 | J/mol×K | 360.04 | Joback Calculated Property |
| Cp,gas | 113.18 | J/mol×K | 394.87 | Joback Calculated Property |
| Cp,gas | 120.30 | J/mol×K | 429.69 | Joback Calculated Property |
| Cp,gas | 126.89 | J/mol×K | 464.52 | Joback Calculated Property |
| Cp,gas | 133.00 | J/mol×K | 499.34 | Joback Calculated Property |
| Cp,gas | 138.65 | J/mol×K | 534.17 | Joback Calculated Property |
| Cp,gas | 143.89 | J/mol×K | 568.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Chloromethyl)thiirane.
Sources
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