- InChI
- InChI=1S/C9H11Cl3NO2PS/c1-5(2)14-16(13,17)15-9-4-7(11)6(10)3-8(9)12/h3-5H,1-2H3,(H2,13,17)
- InChI Key
- VHIFGRFRBQQKET-UHFFFAOYSA-N
- Formula
- C9H11Cl3NO2PS
- SMILES
-
CC(C)OP(N)(=S)Oc1cc(Cl)c(Cl)cc
1Cl - Molecular Weight1
- 334.59
- CAS
- 635-96-1
- 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 | 0.6453 | Relay (1.0) Calculated Property | |
| ΔfG° | -116.51 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -371.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 93.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.634 | Crippen Calculated Property | |
| McVol | 209.160 | ml/mol | McGowan Calculated Property |
| Pc | 2140.91 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 581.89 | K | Relay (1.0) Calculated Property |
| Tc | 860.92 | K | Relay (1.0) Calculated Property |
| Tfus | 370.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.742 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to O-isopropyl 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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