- InChI
- InChI=1S/C6H12ClF2O2PS2/c1-3-10-12(13,11-4-2)14-6(8,9)5-7/h3-5H2,1-2H3
- InChI Key
- NVWVCHLLCXCQSA-UHFFFAOYSA-N
- Formula
- C6H12ClF2O2PS2
- SMILES
- CCOP(=S)(OCC)SC(F)(F)CCl
- Molecular Weight1
- 284.71
- 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 | 0.3981 | Relay (1.0) Calculated Property | |
| ΔfG° | -571.47 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -858.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 64.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.849 | Crippen Calculated Property | |
| McVol | 176.080 | ml/mol | McGowan Calculated Property |
| Pc | 2130.18 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1360.00; 1360.00] |
|
|
| Inp | 1360.00 | NIST | |
| Inp | 1360.00 | NIST | |
| Tboil | 524.49 | K | Relay (1.0) Calculated Property |
| Tc | 694.74 | K | Relay (1.0) Calculated Property |
| Tfus | 238.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.610 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to O,O-Diethyl-S-(1,1-difluoro-2-chloroethyl)-dithiophosphate.
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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