- InChI
- InChI=1S/C14H19Cl3NO2PS/c1-2-19-21(22,18-10-6-4-3-5-7-10)20-14-9-12(16)11(15)8-13(14)17/h8-10H,2-7H2,1H3,(H,18,22)
- InChI Key
- BNWPHCMSAUZTRF-UHFFFAOYSA-N
- Formula
- C14H19Cl3NO2PS
- SMILES
-
CCOP(=S)(NC1CCCCC1)Oc1cc(Cl)c(
Cl)cc1Cl - Molecular Weight1
- 402.70
- CAS
- 116295-49-9
- 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 | 0.6500 | Relay (... Calculated Property | |
| ΔfG° | -74.87 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -438.82 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 109.09 | kJ/mol | Relay (... Calculated Property |
| IE | 8.19 | eV | Relay (... Calculated Property |
| log10WS | -6.76 | Relay (... Calculated Property | |
| logPoct/wat | 6.209 | Crippen Calculated Property | |
| McVol | 268.750 | ml/mol | McGowan Calculated Property |
| Pc | 1582.92 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 663.87 | K | Relay (... Calculated Property |
| Tc | 942.52 | K | Relay (... Calculated Property |
| Tfus | 353.57 | K | Relay (... Calculated Property |
| Vc | 0.938 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Trichlorophenyl cyclohexylamido ethyl thiophosphate.
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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