- InChI
- InChI=1S/C8H17F2O2PS2/c1-5-11-13(14,12-6-7(2)3)15-8(4,9)10/h7H,5-6H2,1-4H3
- InChI Key
- HBGGOWHQEDSGIH-UHFFFAOYSA-N
- Formula
- C8H17F2O2PS2
- SMILES
- CCOP(=S)(OCC(C)C)SC(C)(F)F
- Molecular Weight1
- 278.32
- 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 | 0.4310 | Relay (1.0) Calculated Property | |
| ΔfG° | -563.47 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -891.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 61.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.266 | Crippen Calculated Property | |
| McVol | 192.020 | ml/mol | McGowan Calculated Property |
| Pc | 1851.71 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1375.00; 1375.00] |
|
|
| Inp | 1375.00 | NIST | |
| Inp | 1375.00 | NIST | |
| Tboil | 512.61 | K | Relay (1.0) Calculated Property |
| Tc | 664.71 | K | Relay (1.0) Calculated Property |
| Tfus | 215.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.692 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to O-Ethyl-O-isobutyl-S-(1,1-difluoroethyl)-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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