- InChI
- InChI=1S/C3H9O3PS/c1-5-7(4,6-2)8-3/h1-3H3
- InChI Key
- WTUNGUOZHBRADH-UHFFFAOYSA-N
- Formula
- C3H9O3PS
- SMILES
- COP(=O)(OC)SC
- Molecular Weight1
- 156.14
- CAS
- 152-20-5
- Other Names
-
- Dimethylthiomethylphosphate
- HC 7901
- Methyl Phosphorothioate ((meo)2(mes)po)
- O,O-Dimethyl S-methyl phosphorothioate
- 8000 BIS HC
- O,O,S-Trimethyl phosphorothioate
- Phosphorothioic acid, o,o',s-trimethyl ester
- 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 | 0.3503 | Relay (1.0) Calculated Property | |
| ΔfG° | -285.09 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -567.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 54.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.55 ± 0.10 | eV | NIST |
| log10WS | -0.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.750 | Crippen Calculated Property | |
| McVol | 107.550 | ml/mol | McGowan Calculated Property |
| Pc | 3245.12 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 488.67 | K | Relay (1.0) Calculated Property |
| Tc | 646.82 | K | Relay (1.0) Calculated Property |
| Tfus | 256.67 | K | Relay (1.0) Calculated Property |
| Vc | 0.402 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Phosphorothioic acid, O,O,S-trimethyl ester.
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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