- InChI
- InChI=1S/C7H8Cl2NO2PS/c1-11-13(10,14)12-5-2-3-6(8)7(9)4-5/h2-4H,1H3,(H2,10,14)
- InChI Key
- SXAVQPLJPNYSPD-UHFFFAOYSA-N
- Formula
- C7H8Cl2NO2PS
- SMILES
- COP(N)(=S)Oc1ccc(Cl)c(Cl)c1
- Molecular Weight1
- 272.09
- CAS
- 116401-95-7
- 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 | 0.5732 | Relay (1.0) Calculated Property | |
| ΔfG° | -53.31 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -291.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 88.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.202 | Crippen Calculated Property | |
| McVol | 168.740 | ml/mol | McGowan Calculated Property |
| Pc | 2796.26 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 585.69 | K | Relay (1.0) Calculated Property |
| Tc | 852.84 | K | Relay (1.0) Calculated Property |
| Tfus | 342.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.595 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to O-(3,4-dichlorophenyl) o-methyl 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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