- InChI
- InChI=1S/CH3Cl2OPS/c1-4-5(2,3)6/h1H3
- InChI Key
- BJTWJPDCJVKDBK-UHFFFAOYSA-N
- Formula
- CH3Cl2OPS
- SMILES
- COP(=S)(Cl)Cl
- Molecular Weight1
- 164.98
- CAS
- 2523-94-6
- Other Names
-
- Dichloromethoxyphosphine sulfide
- Methyl dichlorothionophosphate
- Methyl dichlorothiophosphate
- O-Methyl phosphorodichloridothioate
- O-Methyl phosphorodichlorothioate
- Phosphorodichloridothioic acid, methyl ester
- O-Methyl dichlorothiophosphate
- Methyldichlorthiofosfat
- O-Methylester kyseliny dichlorthiofosforecne
- 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 | 0.2107 | Relay (1.0) Calculated Property | |
| ΔfG° | -84.20 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -183.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 49.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.85 | eV | NIST |
| log10WS | -2.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.335 | Crippen Calculated Property | |
| McVol | 92.110 | ml/mol | McGowan Calculated Property |
| Pc | 3885.62 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 425.80 | K | Relay (1.0) Calculated Property |
| Tc | 639.79 | K | Relay (1.0) Calculated Property |
| Tfus | 201.04 | K | Relay (1.0) Calculated Property |
| Vc | 0.333 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Phosphorodichloridothioic acid, O-methyl 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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