- InChI
- InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)
- InChI Key
- HCUARRIEZVDMPT-UHFFFAOYSA-N
- Formula
- C9H7NO2
- SMILES
- O=C(O)c1cc2ccccc2[nH]1
- Molecular Weight1
- 161.16
- CAS
- 1477-50-5
- Other Names
-
- 1H-indole-2-carboxylic acid
- 2-Indolecarboxylic acid
- 2-carboxyindole
- 2-indolylformic acid
- indole-2-formic acid
- 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 | 0.7197 | Relay (1.0) Calculated Property | |
| ΔfG° | -80.91 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -223.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 106.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.384 | Crippen Calculated Property | |
| McVol | 116.170 | ml/mol | McGowan Calculated Property |
| Pc | 5090.08 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 602.71 | K | Relay (1.0) Calculated Property |
| Tc | 924.29 | K | Relay (1.0) Calculated Property |
| Tfus | 483.10 | K | Experimental and computational thermochemical study of benzofuran, benzothiophene and indole derivatives |
| Vc | 0.425 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Indole-2-carboxylic acid.
Mixtures
- Indole-2-carboxylic acid + Water
- Indole-2-carboxylic acid + Methyl Alcohol
- Ethanol + Indole-2-carboxylic acid
- 1-Propanol + Indole-2-carboxylic acid
- Isopropyl Alcohol + Indole-2-carboxylic acid
- Indole-2-carboxylic acid + 1-Butanol
- Indole-2-carboxylic acid + Ethyl Acetate
- Indole-2-carboxylic acid + 1,4-Dioxane
- Methylene chloride + Indole-2-carboxylic acid
- Toluene + Indole-2-carboxylic acid
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
- Experimental and computational thermochemical study of benzofuran, benzothiophene and indole derivatives
- Measurement and Correlation of Solubilities of Indole-2-carboxylic Acid in Ten Different Pure Solvents from (278.15 to 360.15) K
- McGowan Method
- NIST Webbook
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