- InChI
- InChI=1S/C16H24N2O2Si/c1-12(19)17-9-8-13-11-18(21(3,4)5)16-7-6-14(20-2)10-15(13)16/h6-7,10-11H,8-9H2,1-5H3,(H,17,19)
- InChI Key
- UKAXNBPGNYCYNS-UHFFFAOYSA-N
- Formula
- C16H24N2O2Si
- SMILES
-
COc1ccc2c(c1)c(CCNC(C)=O)cn2[S
i](C)(C)C - Molecular Weight1
- 304.46
- 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 | 0.7808 | Relay (... Calculated Property | |
| ΔfG° | 112.40 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -404.01 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 103.42 | kJ/mol | Relay (... Calculated Property |
| IE | 7.66 | eV | Relay (... Calculated Property |
| log10WS | -3.47 | Relay (... Calculated Property | |
| logPoct/wat | 3.011 | Crippen Calculated Property | |
| Pc | 1304.24 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2400.00; 2400.00] |
|
|
| Inp | 2400.00 | NIST | |
| Inp | 2400.00 | NIST | |
| Tboil | 655.64 | K | Relay (... Calculated Property |
| Tc | 912.07 | K | Relay (... Calculated Property |
| Tfus | 372.75 | K | Relay (... Calculated Property |
| Vc | 0.915 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Indole, 3-(2-acetaminoethyl), 5-methoxy (Melatonin), TMS.
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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