- InChI
- InChI=1S/C22H41NO7Si/c1-15(2)13-27-20(25)23-12-17(29-21(26)28-14-16(3)4)10-11-18(23)19(24)30-31(8,9)22(5,6)7/h15-18H,10-14H2,1-9H3/t17-,18+/m0/s1
- InChI Key
- OXONXQHBFUTZAY-ZWKOTPCHSA-N
- Formula
- C22H41NO7Si
- SMILES
-
CC(C)COC(=O)OC1CCC(C(=O)O[Si](
C)(C)C(C)(C)C)N(C(=O)OCC(C)C)C 1 - Molecular Weight1
- 459.65
- 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 | 0.9488 | Relay (1.0) Calculated Property | |
| ΔfG° | -550.43 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1627.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 98.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.970 | Crippen Calculated Property | |
| Pc | 651.06 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2171.90; 2171.90] |
|
|
| Inp | 2171.90 | NIST | |
| Inp | 2171.90 | NIST | |
| Tboil | 655.43 | K | Relay (1.0) Calculated Property |
| Tc | 842.20 | K | Relay (1.0) Calculated Property |
| Tfus | 345.30 | K | Relay (1.0) Calculated Property |
| Vc | 1.380 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to trans-5-hydroxypipecolic acid, N(O,S)-isoBOC TBDMS.
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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