- InChI
- InChI=1S/C21H31NO4Si/c1-7-25-20(24)22-15-16(17-12-8-9-13-18(17)22)11-10-14-19(23)26-27(5,6)21(2,3)4/h8-9,12-13,15H,7,10-11,14H2,1-6H3
- InChI Key
- ANZSAAHCKRNMEE-UHFFFAOYSA-N
- Formula
- C21H31NO4Si
- SMILES
-
CCOC(=O)n1cc(CCCC(=O)O[Si](C)(
C)C(C)(C)C)c2ccccc21 - Molecular Weight1
- 389.56
- 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 | 0.9144 | Relay (1.0) Calculated Property | |
| ΔfG° | -143.06 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -859.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 104.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.517 | Crippen Calculated Property | |
| Pc | 1050.32 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2419.00 | NIST | |
| Tboil | 679.11 | K | Relay (1.0) Calculated Property |
| Tc | 920.32 | K | Relay (1.0) Calculated Property |
| Tfus | 348.78 | K | Relay (1.0) Calculated Property |
| Vc | 1.172 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3-Indolebutyric acid, ethoxycarbonylated, 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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