- InChI
- InChI=1S/C12H16Cl3O3PS/c1-7(2)16-19(20,17-8(3)4)18-12-6-10(14)9(13)5-11(12)15/h5-8H,1-4H3
- InChI Key
- SDIXSYBBSBUHDF-UHFFFAOYSA-N
- Formula
- C12H16Cl3O3PS
- SMILES
-
CC(C)OP(=S)(Oc1cc(Cl)c(Cl)cc1C
l)OC(C)C - Molecular Weight1
- 377.65
- CAS
- 64022-00-0
- 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 | 0.6270 | Relay (... Calculated Property | |
| ΔfG° | -317.09 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -625.96 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 92.84 | kJ/mol | Relay (... Calculated Property |
| IE | 8.41 | eV | Relay (... Calculated Property |
| log10WS | -6.44 | Relay (... Calculated Property | |
| logPoct/wat | 6.100 | Crippen Calculated Property | |
| McVol | 247.320 | ml/mol | McGowan Calculated Property |
| Pc | 1702.43 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 594.61 | K | Relay (... Calculated Property |
| Tc | 839.58 | K | Relay (... Calculated Property |
| Tfus | 332.28 | K | Relay (... Calculated Property |
| Vc | 0.895 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to O,o-diisopropyl o-(2,4,5-trichlorophenyl) thiophosphate.
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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