- InChI
- InChI=1S/C20H21N3/c1-3-7-19-17(5-1)15(13-22-19)9-11-21-12-10-16-14-23-20-8-4-2-6-18(16)20/h1-8,13-14,21-23H,9-12H2
- InChI Key
- IXLSYXSELOBCFE-UHFFFAOYSA-N
- Formula
- C20H21N3
- SMILES
-
c1ccc2c(CCNCCc3c[nH]c4ccccc34)
c[nH]c2c1 - Molecular Weight1
- 303.40
- CAS
- 94685-68-4
- 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.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- 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 | 0.7768 | Relay (1.0) Calculated Property | |
| ΔfG° | 498.10 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 292.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 150.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.060 | Crippen Calculated Property | |
| McVol | 244.760 | ml/mol | McGowan Calculated Property |
| Pc | 2331.11 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 742.61 | K | Relay (1.0) Calculated Property |
| Tc | 1096.72 | K | Relay (1.0) Calculated Property |
| Tfus | 437.52 | K | Relay (1.0) Calculated Property |
| Vc | 0.911 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Bis(3-indolylethyl)amine.
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
- McGowan Method
- NIST Webbook
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