- InChI
- InChI=1S/C13H7Cl6O3PS/c1-20-23(24,21-12-4-8(16)6(14)2-10(12)18)22-13-5-9(17)7(15)3-11(13)19/h2-5H,1H3
- InChI Key
- ACVLAMDDCNEKCJ-UHFFFAOYSA-N
- Formula
- C13H7Cl6O3PS
- SMILES
-
COP(=S)(Oc1cc(Cl)c(Cl)cc1Cl)Oc
1cc(Cl)c(Cl)cc1Cl - Molecular Weight1
- 486.95
- CAS
- 56201-37-7
- 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 | 0.7436 | Relay (... Calculated Property | |
| ΔfG° | -301.74 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -460.50 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 120.08 | kJ/mol | Relay (... Calculated Property |
| IE | 8.58 | eV | Relay (... Calculated Property |
| log10WS | -8.80 | Relay (... Calculated Property | |
| logPoct/wat | 7.936 | Crippen Calculated Property | |
| McVol | 274.370 | ml/mol | McGowan Calculated Property |
| Pc | 1864.40 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 665.41 | K | Relay (... Calculated Property |
| Tc | 1003.58 | K | Relay (... Calculated Property |
| Tfus | 382.78 | K | Relay (... Calculated Property |
| Vc | 0.955 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to O-methyl o,o-bis(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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