- InChI
- InChI=1S/C13H20NO2PS/c1-15-17(14,18)16-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3,(H2,14,18)
- InChI Key
- BJPSPQKRHJVJEC-UHFFFAOYSA-N
- Formula
- C13H20NO2PS
- SMILES
- COP(N)(=S)Oc1ccccc1C1CCCCC1
- Molecular Weight1
- 285.34
- CAS
- 109105-43-3
- 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 | 0.5924 | Relay (... Calculated Property | |
| ΔfG° | 82.61 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -334.82 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 94.69 | kJ/mol | Relay (... Calculated Property |
| IE | 8.55 | eV | Relay (... Calculated Property |
| log10WS | -5.23 | Relay (... Calculated Property | |
| logPoct/wat | 3.943 | Crippen Calculated Property | |
| McVol | 217.940 | ml/mol | McGowan Calculated Property |
| Pc | 2001.40 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 639.10 | K | Relay (... Calculated Property |
| Tc | 884.40 | K | Relay (... Calculated Property |
| Tfus | 341.74 | K | Relay (... Calculated Property |
| Vc | 0.764 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to O-(2-cyclohexylphenyl) o-methyl amidothiophosphate.
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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