![Phosphorothioic acid, O,O-dimethyl O-[3-methyl-4-(methylsulfonyl)phenyl] ester](/cid/117-886-9/Phosphorothioic-acid-O-O-dimethyl-O-3-methyl-4-methylsulfonyl-phenyl-ester.png "Phosphorothioic acid, O,O-dimethyl O-[3-methyl-4-(methylsulfonyl)phenyl] ester")
- InChI
- InChI=1S/C10H15O5PS2/c1-8-7-9(15-16(17,13-2)14-3)5-6-10(8)18(4,11)12/h5-7H,1-4H3
- InChI Key
- ZDHYERRNXRANLI-UHFFFAOYSA-N
- Formula
- C10H15O5PS2
- SMILES
-
COP(=S)(OC)Oc1ccc(S(C)(=O)=O)c
(C)c1 - Molecular Weight1
- 310.33
- CAS
- 3761-42-0
- Other Names
-
- m-Cresol, 4-(methylsulfonyl)-, O-ester with O,O-dimethyl phosphorothioate
- Fenthion sulfone
- Phosphorothioic acid, O,O-dimethyl O-[4-(methylsulfonyl)-m-tolyl] ester
- O,O-Dimethyl O-(4-(methylsulfonyl)-m-tolyl) phosphorothioate
- O,O-Dimethyl O-((4-methylthio)-m-tolyl)phosphorothioate sulfone
- Fenthione sulfone
- 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 | 0.6376 | Relay (... Calculated Property | |
| ΔfG° | -405.33 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -754.53 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 98.81 | kJ/mol | Relay (... Calculated Property |
| IE | 8.55 | eV | Relay (... Calculated Property |
| log10WS | -3.96 | Relay (... Calculated Property | |
| logPoct/wat | 2.295 | Crippen Calculated Property | |
| McVol | 210.510 | ml/mol | McGowan Calculated Property |
| Pc | 2154.36 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 645.34 | K | Relay (... Calculated Property |
| Tc | 883.14 | K | Relay (... Calculated Property |
| Tfus | 334.80 | K | Relay (... Calculated Property |
| Vc | 0.753 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
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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