- InChI
- InChI=1S/C9H6N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H
- InChI Key
- CHIFTAQVXHNVRW-UHFFFAOYSA-N
- Formula
- C9H6N2
- SMILES
- N#Cc1c[nH]c2ccccc12
- Molecular Weight1
- 142.16
- CAS
- 5457-28-3
- Other Names
-
- Indole-3-carbonitrile
- 3-Cyanoindole
- 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 | 0.4686 | Relay (1.0) Calculated Property | |
| ΔfG° | 337.38 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 295.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 76.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.558 | Crippen Calculated Property | |
| McVol | 110.110 | ml/mol | McGowan Calculated Property |
| Pc | 4413.96 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 594.08 | K | Relay (1.0) Calculated Property |
| Tc | 887.92 | K | Relay (1.0) Calculated Property |
| Tfus | 413.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.410 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3-Indolecarbonitrile.
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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