- InChI
- InChI=1S/C29H60N4O3Si4/c1-26(2,3)37(13,14)30-21-22(31(24(30)35)38(15,16)27(4,5)6)32(39(17,18)28(7,8)9)25(36)33(23(21)34)40(19,20)29(10,11)12/h1-20H3
- InChI Key
- RNXRXWWKHWGAEM-UHFFFAOYSA-N
- Formula
- C29H60N4O3Si4
- SMILES
-
CC(C)(C)[Si](C)(C)n1c(=O)c2c(n
([Si](C)(C)C(C)(C)C)c1=O)n([Si ](C)(C)C(C)(C)C)c(=O)n2[Si](C) (C)C(C)(C)C - Molecular Weight1
- 625.15
- Other Names
-
- Uric acid, tetraTBDMS
- Uric acid, 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 | 1.0198 | Relay (1.0) Calculated Property | |
| ΔfG° | 319.67 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1027.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 94.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.540 | Crippen Calculated Property | |
| Pc | 78.23 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2880.00 | NIST | |
| Tboil | 681.43 | K | Relay (1.0) Calculated Property |
| Tc | 1076.03 | K | Relay (1.0) Calculated Property |
| Tfus | 562.45 | K | Relay (1.0) Calculated Property |
| Vc | 2.096 | 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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