- InChI
- InChI=1S/C22H51O5PSi3/c1-17-18(19(23)25-29(11,12)20(2,3)4)28(24,26-30(13,14)21(5,6)7)27-31(15,16)22(8,9)10/h18H,17H2,1-16H3
- InChI Key
- YUUMOIPQRNNCMM-UHFFFAOYSA-N
- Formula
- C22H51O5PSi3
- SMILES
-
CCC(C(=O)O[Si](C)(C)C(C)(C)C)P
(=O)(O[Si](C)(C)C(C)(C)C)O[Si] (C)(C)C(C)(C)C - Molecular Weight1
- 510.87
- Other Names
-
- 2-Phosphonobutanoic acid, tris-tert-butyldimethylsilyl
- 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.
- 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 | 0.7788 | Relay (... Calculated Property | |
| ΔfG° | -446.96 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1561.06 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 81.95 | kJ/mol | Relay (... Calculated Property |
| IE | 8.70 | eV | Relay (... Calculated Property |
| log10WS | -4.80 | Relay (... Calculated Property | |
| logPoct/wat | 8.550 | Crippen Calculated Property | |
| Pc | 890.02 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2149.00 | NIST | |
| Tboil | 616.29 | K | Relay (... Calculated Property |
| Tc | 836.06 | K | Relay (... Calculated Property |
| Tfus | 325.33 | K | Relay (... Calculated Property |
| Vc | 1.698 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
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
- NIST Webbook
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