- InChI
- InChI=1S/C7H7Cl3NO2PS/c1-12-14(11,15)13-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3,(H2,11,15)
- InChI Key
- DKSPJOUMWMRFPD-UHFFFAOYSA-N
- Formula
- C7H7Cl3NO2PS
- SMILES
- COP(N)(=S)Oc1c(Cl)cc(Cl)cc1Cl
- Molecular Weight1
- 306.53
- CAS
- 116401-96-8
- 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 | 0.5933 | Relay (1.0) Calculated Property | |
| ΔfG° | -92.34 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -284.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 90.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.855 | Crippen Calculated Property | |
| McVol | 180.980 | ml/mol | McGowan Calculated Property |
| Pc | 2727.97 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 573.16 | K | Relay (1.0) Calculated Property |
| Tc | 859.69 | K | Relay (1.0) Calculated Property |
| Tfus | 357.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.633 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to O-methyl o-(2,4,6-trichlorophenyl) amidothiophosphate.
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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