- InChI
- InChI=1S/C2H6Cl2NPS/c1-5(2)6(3,4)7/h1-2H3
- InChI Key
- DWISDTKOMUFVDP-UHFFFAOYSA-N
- Formula
- C2H6Cl2NPS
- SMILES
- CN(C)P(=S)(Cl)Cl
- Molecular Weight1
- 178.02
- CAS
- 1498-65-3
- Other Names
-
- Phophonothioamidodichloridate, N,N-dimethyl-
- Dimethylphosphoramidothioic dichloride
- 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 | 0.2154 | Relay (... Calculated Property | |
| ΔfG° | 138.30 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 12.21 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 51.16 | kJ/mol | Relay (... Calculated Property |
| IE | [8.97; 9.35] | eV |
|
| IE | 8.97 ± 0.04 | eV | NIST |
| IE | 8.97 ± 0.00 | eV | NIST |
| IE | 9.35 | eV | NIST |
| log10WS | -2.57 | Relay (... Calculated Property | |
| logPoct/wat | 2.250 | Crippen Calculated Property | |
| McVol | 110.310 | ml/mol | McGowan Calculated Property |
| Pc | 3513.25 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 461.27 | K | Relay (... Calculated Property |
| Tc | 649.29 | K | Relay (... Calculated Property |
| Tfus | 294.75 | K | Relay (... Calculated Property |
| Vc | 0.408 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Phosphoramidothioic dichloride, dimethyl-.
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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