- InChI
- InChI=1S/CH4Cl2NPS/c1-4-5(2,3)6/h1H3,(H,4,6)
- InChI Key
- HPEXXKFLWCBICT-UHFFFAOYSA-N
- Formula
- CH4Cl2NPS
- SMILES
- CNP(=S)(Cl)Cl
- Molecular Weight1
- 163.99
- CAS
- 20665-23-0
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 |
|---|---|---|---|
| ω | 0.2500 | Relay (... Calculated Property | |
| ΔfG° | 88.22 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -6.70 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 56.66 | kJ/mol | Relay (... Calculated Property |
| IE | 9.48 | eV | Relay (... Calculated Property |
| log10WS | -2.06 | Relay (... Calculated Property | |
| logPoct/wat | 1.908 | Crippen Calculated Property | |
| McVol | 96.220 | ml/mol | McGowan Calculated Property |
| Pc | 4315.40 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 462.21 | K | Relay (... Calculated Property |
| Tc | 678.71 | K | Relay (... Calculated Property |
| Tfus | 268.16 | K | Relay (... Calculated Property |
| Vc | 0.347 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Phosphorodichloridothioamide, n-methyl-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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