- InChI
- InChI=1S/C8H9Cl3NO2PS/c1-2-13-15(12,16)14-8-4-6(10)5(9)3-7(8)11/h3-4H,2H2,1H3,(H2,12,16)
- InChI Key
- WNKUETVZFUAQCI-UHFFFAOYSA-N
- Formula
- C8H9Cl3NO2PS
- SMILES
- CCOP(N)(=S)Oc1cc(Cl)c(Cl)cc1Cl
- Molecular Weight1
- 320.56
- CAS
- 2775-95-3
- 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 | 0.6333 | Relay (... Calculated Property | |
| ΔfG° | -108.99 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -342.46 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 92.91 | kJ/mol | Relay (... Calculated Property |
| IE | 8.56 | eV | Relay (... Calculated Property |
| log10WS | -5.64 | Relay (... Calculated Property | |
| logPoct/wat | 4.245 | Crippen Calculated Property | |
| McVol | 195.070 | ml/mol | McGowan Calculated Property |
| Pc | 2422.45 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 593.43 | K | Relay (... Calculated Property |
| Tc | 865.56 | K | Relay (... Calculated Property |
| Tfus | 359.61 | K | Relay (... Calculated Property |
| Vc | 0.688 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Phosphoramidothioic acid, o-ethyl-o-(2,4,5-trichlorophenyl) ester.
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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