- InChI
- InChI=1S/C22H39N3O6Si/c1-15(2)12-29-20(27)24-18(19(26)31-32(8,9)22(5,6)7)10-17-11-25(14-23-17)21(28)30-13-16(3)4/h11,14-16,18H,10,12-13H2,1-9H3,(H,24,27)
- InChI Key
- MEKKZOVDFSMITK-UHFFFAOYSA-N
- Formula
- C22H39N3O6Si
- SMILES
-
CC(C)COC(=O)NC(Cc1cn(C(=O)OCC(
C)C)cn1)C(=O)O[Si](C)(C)C(C)(C )C - Molecular Weight1
- 469.65
- Other Names
-
- His, N-isoBOC TBDMS
- 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 | 1.0650 | Relay (... Calculated Property | |
| ΔfG° | -315.01 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1349.96 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 105.21 | kJ/mol | Relay (... Calculated Property |
| IE | 9.14 | eV | Relay (... Calculated Property |
| log10WS | -4.76 | Relay (... Calculated Property | |
| logPoct/wat | 4.365 | Crippen Calculated Property | |
| Pc | 797.27 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2773.00; 2775.00] |
|
|
| Inp | 2775.00 | NIST | |
| Inp | 2773.00 | NIST | |
| Tboil | 658.65 | K | Relay (... Calculated Property |
| Tc | 916.07 | K | Relay (... Calculated Property |
| Tfus | 353.02 | K | Relay (... Calculated Property |
| Vc | 1.392 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to His 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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