- InChI
- InChI=1S/C7H15ClF2NO2PS/c1-3-5-11-14(15,12-4-2)13-7(9,10)6-8/h3-6H2,1-2H3,(H,11,15)
- InChI Key
- VAOVDAQVCFZQHG-UHFFFAOYSA-N
- Formula
- C7H15ClF2NO2PS
- SMILES
- CCCNP(=S)(OCC)OC(F)(F)CCl
- Molecular Weight1
- 281.69
- 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 | 0.5255 | Relay (1.0) Calculated Property | |
| ΔfG° | -525.29 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -895.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 73.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.095 | Crippen Calculated Property | |
| McVol | 183.800 | ml/mol | McGowan Calculated Property |
| Pc | 1982.74 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1435.00 | NIST | |
| Tboil | 530.44 | K | Relay (1.0) Calculated Property |
| Tc | 691.79 | K | Relay (1.0) Calculated Property |
| Tfus | 243.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.659 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to O-Ethyl-O-(1,1-difluoro-2-chloroethyl)-N-propyl-phosphorothioamidate.
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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