![tert-Butyldimethylsilyl 2-[[4-(tert-butyldimethylsilylamino)benzoyl]amino]acetate](/cid/58-822-5/tert-Butyldimethylsilyl-2-4-tert-butyldimethylsilylamino-benzoyl-amino-acetate.png "tert-Butyldimethylsilyl 2-[[4-(tert-butyldimethylsilylamino)benzoyl]amino]acetate")
- InChI
- InChI=1S/C21H38N2O3Si2/c1-20(2,3)27(7,8)23-17-13-11-16(12-14-17)19(25)22-15-18(24)26-28(9,10)21(4,5)6/h11-14,23H,15H2,1-10H3,(H,22,25)
- InChI Key
- MBPNKXORYQJKFY-UHFFFAOYSA-N
- Formula
- C21H38N2O3Si2
- SMILES
-
CC(C)(C)[Si](C)(C)Nc1ccc(C(=O)
NCC(=O)O[Si](C)(C)C(C)(C)C)cc1 - Molecular Weight1
- 422.71
- Other Names
-
- Hippuric acid, 4-tert-butyldimethylsilylamino, tert-butyldimethylsilyl ester
- 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 | 0.8510 | Relay (1.0) Calculated Property | |
| ΔfG° | -10.25 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -839.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 96.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.382 | Crippen Calculated Property | |
| Pc | 1238.25 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3016.00; 3016.00] |
|
|
| Inp | 3016.00 | NIST | |
| Inp | 3016.00 | NIST | |
| Tboil | 639.04 | K | Relay (1.0) Calculated Property |
| Tc | 937.01 | K | Relay (1.0) Calculated Property |
| Tfus | 420.94 | K | Relay (1.0) Calculated Property |
| Vc | 1.305 | 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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