- InChI
- InChI=1S/CCl2S/c2-1(3)4
- InChI Key
- ZWZVWGITAAIFPS-UHFFFAOYSA-N
- Formula
- CCl2S
- SMILES
- S=C(Cl)Cl
- Molecular Weight1
- 114.98
- CAS
- 463-71-8
- Other Names
-
- Carbonothioic dichloride
- Carbon chlorosulfide
- Carbonic dichloride, thio-
- Dichlorothiocarbonyl
- Thiocarbonyl chloride
- Thiocarbonyl dichloride
- CSCl2
- Carbonyl chloride, thio-
- Phosgene, thio-
- Thiocarbonic dichloride
- Thiofosgen
- Thiokarbonylchlorid
- UN 2474
- Dichlorothioformaldehyde
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (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).
- 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).
- 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 |
|---|---|---|---|
| PAff | 752.50 | kJ/mol | NIST |
| BasG | 721.80 | kJ/mol | NIST |
| ΔfG° | 50.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 51.05 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | 21.10 | kJ/mol | NIST |
| ΔfusH° | 11.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.32 | kJ/mol | Joback Calculated Property |
| IE | [9.61; 9.80] | eV |
|
| IE | 9.68 | eV | NIST |
| IE | 9.61 ± 0.02 | eV | NIST |
| IE | 9.80 | eV | NIST |
| log10WS | -1.89 | Crippen Calculated Property | |
| logPoct/wat | 1.749 | Crippen Calculated Property | |
| McVol | 61.480 | ml/mol | McGowan Calculated Property |
| Pc | 5953.74 | kPa | Joback Calculated Property |
| Tboil | 367.18 | K | Joback Calculated Property |
| Tc | 587.44 | K | Joback Calculated Property |
| Tfus | 195.14 | K | Joback Calculated Property |
| Vc | 0.226 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [68.94; 77.07] | J/mol×K | [367.18; 587.44] |
|
| Cp,gas | 68.94 | J/mol×K | 367.18 | Joback Calculated Property |
| Cp,gas | 71.06 | J/mol×K | 403.89 | Joback Calculated Property |
| Cp,gas | 72.82 | J/mol×K | 440.60 | Joback Calculated Property |
| Cp,gas | 74.26 | J/mol×K | 477.31 | Joback Calculated Property |
| Cp,gas | 75.43 | J/mol×K | 514.02 | Joback Calculated Property |
| Cp,gas | 76.35 | J/mol×K | 550.73 | Joback Calculated Property |
| Cp,gas | 77.07 | J/mol×K | 587.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Thiophosgene.
Sources
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