- InChI
- InChI=1S/C22H49N3OSi3/c1-20(2,3)27(11,12)23-19-24(10)17-18(26-29(15,16)22(7,8)9)25(19)28(13,14)21(4,5)6/h17H,1-16H3
- InChI Key
- DEPGDXVFUGKKQF-UHFFFAOYSA-N
- Formula
- C22H49N3OSi3
- SMILES
-
Cn1cc(O[Si](C)(C)C(C)(C)C)n([S
i](C)(C)C(C)(C)C)c1=N[Si](C)(C )C(C)(C)C - Molecular Weight1
- 455.90
- 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 | 0.7376 | Relay (1.0) Calculated Property | |
| ΔfG° | 360.12 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -621.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 71.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.970 | Crippen Calculated Property | |
| Pc | 884.57 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1941.00 | NIST | |
| Tboil | 592.50 | K | Relay (1.0) Calculated Property |
| Tc | 872.61 | K | Relay (1.0) Calculated Property |
| Tfus | 408.85 | K | Relay (1.0) Calculated Property |
| Vc | 1.578 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Creatinine, 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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