- InChI
- InChI=1S/C13H21O4PS/c1-4-10-15-18(14,16-11-5-2)17-12-6-8-13(19-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3
- InChI Key
- PWYIUEFFPNVCMW-UHFFFAOYSA-N
- Formula
- C13H21O4PS
- SMILES
- CCCOP(=O)(OCCC)Oc1ccc(SC)cc1
- Molecular Weight1
- 304.34
- CAS
- 7292-16-2
- 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.
- I : 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 | 0.7026 | Relay (... Calculated Property | |
| ΔfG° | -341.47 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -729.14 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 91.33 | kJ/mol | Relay (... Calculated Property |
| IE | 8.10 | eV | Relay (... Calculated Property |
| log10WS | -3.61 | Relay (... Calculated Property | |
| logPoct/wat | 4.749 | Crippen Calculated Property | |
| McVol | 230.560 | ml/mol | McGowan Calculated Property |
| Pc | 1841.32 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2045.00; 2075.00] |
|
|
| Inp | 2075.00 | NIST | |
| Inp | 2070.00 | NIST | |
| Inp | 2045.00 | NIST | |
| Inp | 2070.00 | NIST | |
| Inp | 2045.00 | NIST | |
| I | [3021.00; 3021.00] |
|
|
| I | 3021.00 | NIST | |
| I | 3021.00 | NIST | |
| Tboil | 625.80 | K | Relay (... Calculated Property |
| Tc | 796.44 | K | Relay (... Calculated Property |
| Tfus | 257.92 | K | Relay (... Calculated Property |
| Vc | 0.844 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Propaphos.
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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