- InChI
- InChI=1S/C9H11Cl3NO2PS/c1-2-3-14-16(13,17)15-9-5-7(11)6(10)4-8(9)12/h4-5H,2-3H2,1H3,(H2,13,17)
- InChI Key
- YXRPPALJUAKPHT-UHFFFAOYSA-N
- Formula
- C9H11Cl3NO2PS
- SMILES
-
CCCOP(N)(=S)Oc1cc(Cl)c(Cl)cc1C
l - Molecular Weight1
- 334.59
- CAS
- 2591-67-5
- 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 | 0.6746 | Relay (... Calculated Property | |
| ΔfG° | -107.16 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -364.81 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 93.48 | kJ/mol | Relay (... Calculated Property |
| IE | 8.64 | eV | Relay (... Calculated Property |
| log10WS | -6.05 | Relay (... Calculated Property | |
| logPoct/wat | 4.635 | Crippen Calculated Property | |
| McVol | 209.160 | ml/mol | McGowan Calculated Property |
| Pc | 2243.96 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 601.70 | K | Relay (... Calculated Property |
| Tc | 872.68 | K | Relay (... Calculated Property |
| Tfus | 342.15 | K | Relay (... Calculated Property |
| Vc | 0.740 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to O-propyl o-(2,4,5-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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