- InChI
- InChI=1S/C17H35NO4Si/c1-16(2,3)21-15(20)18-11-9-10-13(19)14(12-18)22-23(7,8)17(4,5)6/h13-14,19H,9-12H2,1-8H3/t13-,14+/m0/s1
- InChI Key
- TUPGDCRGVBYLFZ-UONOGXRCSA-N
- Formula
- C17H35NO4Si
- SMILES
-
CC(C)(C)OC(=O)N1CCCC(O)C(O[Si]
(C)(C)C(C)(C)C)C1 - Molecular Weight1
- 345.55
- 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 | 0.7545 | Relay (... Calculated Property | |
| ΔfG° | -246.61 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1037.99 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 92.43 | kJ/mol | Relay (... Calculated Property |
| IE | 8.83 | eV | Relay (... Calculated Property |
| log10WS | -2.11 | Relay (... Calculated Property | |
| logPoct/wat | 3.769 | Crippen Calculated Property | |
| Pc | 1082.62 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 1957.00 | NIST | |
| Tboil | 619.27 | K | Relay (... Calculated Property |
| Tc | 835.98 | K | Relay (... Calculated Property |
| Tfus | 367.49 | K | Relay (... Calculated Property |
| Vc | 1.094 | m3/kmol | Relay (... 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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