- InChI
- InChI=1S/C30H70N2O3Si4/c1-27(2,3)36(13,14)31-23-24(34-38(17,18)29(7,8)9)21-22-25(32-37(15,16)28(4,5)6)26(33)35-39(19,20)30(10,11)12/h24-25,31-32H,21-23H2,1-20H3
- InChI Key
- AVNUPKYOYVVRNT-UHFFFAOYSA-N
- Formula
- C30H70N2O3Si4
- SMILES
-
CC(C)(C)[Si](C)(C)NCC(CCC(N[Si
](C)(C)C(C)(C)C)C(=O)O[Si](C)( C)C(C)(C)C)O[Si](C)(C)C(C)(C)C - Molecular Weight1
- 619.23
- Other Names
-
- tert-Butyl(dimethyl)silyl 2,6-bispyrrol[tert-butyl(dimethyl)silyl]aminomorpho-5-pyrrol[tert-butyl(dimethyl)silyl]oxymorphohexanoate
- 5-Hydroxylysine, 4tbdms 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).
- 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 | 0.9416 | Relay (1.0) Calculated Property | |
| ΔfG° | -13.32 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1322.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 90.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.264 | Crippen Calculated Property | |
| Pc | 462.35 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2645.40 | NIST | |
| Tboil | 636.44 | K | Relay (1.0) Calculated Property |
| Tc | 906.68 | K | Relay (1.0) Calculated Property |
| Tfus | 353.76 | K | Relay (1.0) Calculated Property |
| Vc | 2.145 | 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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