![L-Proline, 4-[(tert-butyldimethylsilyl)oxy]-1-(tert-butyldimethylsilyl)-, tert-butyldimethylsilyl ester](/cid/66-053-0/L-Proline-4-tert-butyldimethylsilyl-oxy-1-tert-butyldimethylsilyl-tert-butyldimethylsilyl-ester.png "L-Proline, 4-[(tert-butyldimethylsilyl)oxy]-1-(tert-butyldimethylsilyl)-, tert-butyldimethylsilyl ester")
- InChI
- InChI=1S/C23H51NO3Si3/c1-21(2,3)28(10,11)24-17-18(26-29(12,13)22(4,5)6)16-19(24)20(25)27-30(14,15)23(7,8)9/h18-19H,16-17H2,1-15H3
- InChI Key
- KUSFEDKRGCEAAT-UHFFFAOYSA-N
- Formula
- C23H51NO3Si3
- SMILES
-
CC(C)(C)[Si](C)(C)OC(=O)C1CC(O
[Si](C)(C)C(C)(C)C)CN1[Si](C)( C)C(C)(C)C - Molecular Weight1
- 473.91
- Other Names
-
- 4-Hydroxy-Pro, TBDMS
- L-hydroxyproline, 3tbdms derivative
- 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).
- 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 | 0.6958 | Relay (... Calculated Property | |
| ΔfG° | -74.72 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1044.22 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 74.79 | kJ/mol | Relay (... Calculated Property |
| IE | 7.52 | eV | Relay (... Calculated Property |
| log10WS | -3.94 | Relay (... Calculated Property | |
| logPoct/wat | 7.005 | Crippen Calculated Property | |
| Pc | 936.61 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 594.54 | K | Relay (... Calculated Property |
| Tc | 851.76 | K | Relay (... Calculated Property |
| Tfus | 367.07 | K | Relay (... Calculated Property |
| Vc | 1.603 | 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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