- InChI
- InChI=1S/C16H32N4O3Si2/c1-24(2,3)19-9-7-8-15(21)20-14(10-13-11-17-12-18-13)16(22)23-25(4,5)6/h11-12,14,19H,7-10H2,1-6H3,(H,17,18)(H,20,21)
- InChI Key
- LIINGKSXIJFSAZ-UHFFFAOYSA-N
- Formula
- C16H32N4O3Si2
- SMILES
-
C[Si](C)(C)NCCCC(=O)NC(Cc1cnc[
nH]1)C(=O)O[Si](C)(C)C - Molecular Weight1
- 384.62
- 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 | 0.8562 | Relay (1.0) Calculated Property | |
| ΔfG° | 6.54 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -774.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 109.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.538 | Crippen Calculated Property | |
| Pc | 904.25 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2531.00; 2531.00] |
|
|
| Inp | 2531.00 | NIST | |
| Inp | 2531.00 | NIST | |
| Tboil | 641.15 | K | Relay (1.0) Calculated Property |
| Tc | 885.81 | K | Relay (1.0) Calculated Property |
| Tfus | 376.42 | K | Relay (1.0) Calculated Property |
| Vc | 1.160 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Homocarnosine, TMS # 2.
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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