- InChI
- InChI=1S/C8H6ClN/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5,10H
- InChI Key
- SVLZRCRXNHITBY-UHFFFAOYSA-N
- Formula
- C8H6ClN
- SMILES
- Clc1cccc2[nH]ccc12
- Molecular Weight1
- 151.59
- CAS
- 25235-85-2
- Other Names
-
- 4-Chloroindole
- Indole, 4-chloro-
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.3873 | Relay (1.0) Calculated Property | |
| ΔfG° | 205.44 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 105.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 69.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.339 | Crippen Calculated Property | |
| McVol | 106.880 | ml/mol | McGowan Calculated Property |
| Pc | 4964.01 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 550.05 | K | Relay (1.0) Calculated Property |
| Tc | 833.07 | K | Relay (1.0) Calculated Property |
| Tfus | 361.46 | K | Relay (1.0) Calculated Property |
| Vc | 0.394 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 402.70 | K | 0.50 | NIST |
Similar Compounds
Find more compounds similar to 1H-Indole, 4-chloro-.
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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