- InChI
- InChI=1S/C11H26O6P2/c1-5-14-18(12,15-6-2)10-9-11-19(13,16-7-3)17-8-4/h5-11H2,1-4H3
- InChI Key
- LJQJJGQRJQSYQN-UHFFFAOYSA-N
- Formula
- C11H26O6P2
- SMILES
- CCOP(=O)(CCCP(=O)(OCC)OCC)OCC
- Molecular Weight1
- 316.27
- CAS
- 22401-25-8
- Other Names
-
- Phosphonic acid, trimethylenedi-, tetraethyl ester
- Propane-1,3-diphosphonic acid, tetraethyl ester
- Tetraethyl propane-1,3-diphosphonate
- 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 | 0.7381 | Relay (1.0) Calculated Property | |
| ΔfG° | -607.69 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1255.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 88.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.909 | Crippen Calculated Property | |
| McVol | 241.990 | ml/mol | McGowan Calculated Property |
| Pc | 1781.98 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 626.28 | K | Relay (1.0) Calculated Property |
| Tc | 733.87 | K | Relay (1.0) Calculated Property |
| Tfus | 237.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.928 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Phosphonic acid, 1,3-propanediylbis-, tetraethyl ester.
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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