- InChI
- InChI=1S/C13H21O6PS/c1-4-10-17-20(14,18-11-5-2)19-12-6-8-13(9-7-12)21(3,15)16/h6-9H,4-5,10-11H2,1-3H3
- InChI Key
- OXMCGIWRESILLU-UHFFFAOYSA-N
- Formula
- C13H21O6PS
- SMILES
-
CCCOP(=O)(OCCC)Oc1ccc(S(C)(=O)
=O)cc1 - Molecular Weight1
- 336.34
- 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 | 0.8065 | Relay (... Calculated Property | |
| ΔfG° | -549.63 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1035.86 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 108.72 | kJ/mol | Relay (... Calculated Property |
| IE | 9.15 | eV | Relay (... Calculated Property |
| log10WS | -3.16 | Relay (... Calculated Property | |
| logPoct/wat | 3.430 | Crippen Calculated Property | |
| McVol | 242.300 | ml/mol | McGowan Calculated Property |
| Pc | 1818.71 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2302.00; 2302.00] |
|
|
| Inp | 2302.00 | NIST | |
| Inp | 2302.00 | NIST | |
| Tboil | 659.71 | K | Relay (... Calculated Property |
| Tc | 852.80 | K | Relay (... Calculated Property |
| Tfus | 320.38 | K | Relay (... Calculated Property |
| Vc | 0.902 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Propaphos sulfone.
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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