- InChI
- InChI=1S/C5H13O2PS/c1-4-6-8(3,9)7-5-2/h4-5H2,1-3H3
- InChI Key
- GEDUXIUTPVHAAV-UHFFFAOYSA-N
- Formula
- C5H13O2PS
- SMILES
- CCOP(C)(=S)OCC
- Molecular Weight1
- 168.19
- CAS
- 6996-81-2
- Other Names
-
- Phosphonothioic acid, methyl-, O,O-diethyl ester
- Diethyl methylphosphonothionate
- O,O-Diethyl methylphosphonothioate
- Diethyl phosphonothioate
- O,O'-Diethyl methylphosphonothioate
- Methylthiophosphonic acid, O,O-diethyl 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).
- Inp : Non-polar retention indices.
- 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 | 0.3460 | Relay (... Calculated Property | |
| ΔfG° | -204.88 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -423.25 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 58.13 | kJ/mol | Relay (... Calculated Property |
| IE | 8.64 | eV | Relay (... Calculated Property |
| log10WS | -2.36 | Relay (... Calculated Property | |
| logPoct/wat | 1.999 | Crippen Calculated Property | |
| McVol | 129.860 | ml/mol | McGowan Calculated Property |
| Pc | 2734.43 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1028.00; 1028.00] |
|
|
| Inp | 1028.00 | NIST | |
| Inp | 1028.00 | NIST | |
| Tboil | 487.88 | K | Relay (... Calculated Property |
| Tc | 634.40 | K | Relay (... Calculated Property |
| Tfus | 226.84 | K | Relay (... Calculated Property |
| Vc | 0.473 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Diethyl methylphosphonothioate.
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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