- InChI
- InChI=1S/C12H28O6P2/c1-5-15-19(13,7-3)17-11-9-10-12-18-20(14,8-4)16-6-2/h5-12H2,1-4H3
- InChI Key
- QHXHEDUSWYCAHZ-UHFFFAOYSA-N
- Formula
- C12H28O6P2
- SMILES
- CCOP(=O)(CC)OCCCCOP(=O)(CC)OCC
- Molecular Weight1
- 330.29
- CAS
- 5284-05-9
- 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 | 0.7884 | Relay (1.0) Calculated Property | |
| ΔfG° | -600.37 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1285.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 90.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.299 | Crippen Calculated Property | |
| McVol | 256.080 | ml/mol | McGowan Calculated Property |
| Pc | 1783.41 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 622.16 | K | Relay (1.0) Calculated Property |
| Tc | 750.93 | K | Relay (1.0) Calculated Property |
| Tfus | 223.52 | K | Relay (1.0) Calculated Property |
| Vc | 0.990 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Phosphonic acid, ethyl-, ethyl ester, diester wtih 1,4-butanediol.
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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