- InChI
- InChI=1S/C3H5BrClF2O2PS/c1-8-10(5,11)9-3(6,7)2-4/h2H2,1H3
- InChI Key
- QMECABHJLBKPLL-UHFFFAOYSA-N
- Formula
- C3H5BrClF2O2PS
- SMILES
- COP(=S)(Cl)OC(F)(F)CBr
- Molecular Weight1
- 289.46
- 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 | 0.4324 | Relay (1.0) Calculated Property | |
| ΔfG° | -583.45 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -806.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 63.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.100 | Crippen Calculated Property | |
| McVol | 134.960 | ml/mol | McGowan Calculated Property |
| Pc | 2787.28 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1180.00 | NIST | |
| Tboil | 486.92 | K | Relay (1.0) Calculated Property |
| Tc | 670.40 | K | Relay (1.0) Calculated Property |
| Tfus | 211.49 | K | Relay (1.0) Calculated Property |
| Vc | 0.477 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to O-Methyl-O-(1,1-difluoro-2-bromoethyl)-phosphorothiochloridate.
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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