- InChI
- InChI=1S/C2H2ClNS/c3-1-5-2-4/h1H2
- InChI Key
- UXUCVNXUWOLPRU-UHFFFAOYSA-N
- Formula
- C2H2ClNS
- SMILES
- N#CSCCl
- Molecular Weight1
- 107.56
- CAS
- 3268-79-9
- Other Names
-
- Thiocyanic acid chloromethyl ester
- Chloromethylthiocyanogen
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | 120.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 106.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.73 | kJ/mol | Joback Calculated Property |
| IE | 10.29 | eV | NIST |
| log10WS | -1.55 | Crippen Calculated Property | |
| logPoct/wat | 1.397 | Crippen Calculated Property | |
| McVol | 69.010 | ml/mol | McGowan Calculated Property |
| Pc | 4723.61 | kPa | Joback Calculated Property |
| Tboil | 458.20 | K | NIST |
| Tc | 683.47 | K | Joback Calculated Property |
| Tfus | 241.61 | K | Joback Calculated Property |
| Vc | 0.277 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [101.24; 119.37] | J/mol×K | [453.45; 683.47] | 
|
| Cp,gas | 101.24 | J/mol×K | 453.45 | Joback Calculated Property |
| Cp,gas | 104.66 | J/mol×K | 491.79 | Joback Calculated Property |
| Cp,gas | 107.92 | J/mol×K | 530.12 | Joback Calculated Property |
| Cp,gas | 111.03 | J/mol×K | 568.46 | Joback Calculated Property |
| Cp,gas | 113.98 | J/mol×K | 606.79 | Joback Calculated Property |
| Cp,gas | 116.76 | J/mol×K | 645.13 | Joback Calculated Property |
| Cp,gas | 119.37 | J/mol×K | 683.47 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 350.20 | K | 2.00 | NIST |
Similar Compounds
Find more compounds similar to Chloromethyl thiocyanate.
Sources
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