![tert-Butyldimethylsilyl 2-[(tert-butyldimethylsilyl)amino]-3-(4-[(tert-butyldimethylsilyl)oxy]-3-chlorophenyl)propanoate](/cid/15-426-2/tert-Butyldimethylsilyl-2-tert-butyldimethylsilyl-amino-3-4-tert-butyldimethylsilyl-oxy-3-chlorophenyl-propanoate.png "tert-Butyldimethylsilyl 2-[(tert-butyldimethylsilyl)amino]-3-(4-[(tert-butyldimethylsilyl)oxy]-3-chlorophenyl)propanoate")
- InChI
- InChI=1S/C27H52ClNO3Si3/c1-25(2,3)33(10,11)29-22(24(30)32-35(14,15)27(7,8)9)19-20-16-17-23(21(28)18-20)31-34(12,13)26(4,5)6/h16-18,22,29H,19H2,1-15H3
- InChI Key
- PSYIWVRQSLWOAQ-UHFFFAOYSA-N
- Formula
- C27H52ClNO3Si3
- SMILES
-
CC(C)(C)[Si](C)(C)NC(Cc1ccc(O[
Si](C)(C)C(C)(C)C)c(Cl)c1)C(=O )O[Si](C)(C)C(C)(C)C - Molecular Weight1
- 558.42
- Other Names
-
- 2-Amino-3-(3-chloro-4-hydroxy-phenyl)propanoic acid, N,O,O'-tris(tert-butyldimethylsilyl)-
- tert-Butyldimethylsilyl 2-[(tert-butyldimethylsilyl)amino]-3-{4-[(tert-butyldimethylsilyl)oxy]-3-chlorophenyl}propanoate
- 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 | 0.8580 | Relay (1.0) Calculated Property | |
| ΔfG° | -53.92 | kJ/mol | Relay (1.0-beta) Calculated Property ⚠️ |
| ΔfH°gas | -1054.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 93.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.778 | Crippen Calculated Property | |
| Pc | 704.47 | kPa | Relay (1.0-beta) Calculated Property ⚠️ |
| Inp | 2808.00 | NIST | |
| Tboil | 635.55 | K | Relay (1.0) Calculated Property |
| Tc | 936.25 | K | Relay (1.0) Calculated Property |
| Tfus | 358.60 | K | Relay (1.0) Calculated Property |
| Vc | 1.772 | m3/kmol | Relay (1.0) 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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