- InChI
- InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14)
- InChI Key
- GOLXRNDWAUTYKT-UHFFFAOYSA-N
- Formula
- C11H11NO2
- SMILES
- O=C(O)CCc1c[nH]c2ccccc12
- Molecular Weight1
- 189.21
- CAS
- 830-96-6
- Other Names
-
- Indole-3-propionic acid
- «beta»-(3-Indolyl)propionic acid
- «beta»-Indole-3-propionic acid
- «beta»-Indolepropionic acid
- IPA
- IPA (auxin)
- 1H-Indole-3-propionic acid
- 3-(2-Carboxyethyl)-1H-indole
- 3-(3-Indole)propionic acid
- 3-(3-Indolyl)propanoic acid
- 3-(3-Indolyl)propionic acid
- Indolepropionic acid
- NSC 3252
- NSC 47831
- 3-(1H-Indol-3-yl)propionic acid
- 3-(indol-3-yl)propionic 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 | 0.7770 | Relay (1.0) Calculated Property | |
| ΔfG° | -59.72 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -269.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 116.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.703 | Crippen Calculated Property | |
| McVol | 144.350 | ml/mol | McGowan Calculated Property |
| Pc | 4014.13 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 617.18 | K | Relay (1.0) Calculated Property |
| Tc | 916.39 | K | Relay (1.0) Calculated Property |
| Tfus | 453.45 | K | Relay (1.0) Calculated Property |
| Vc | 0.523 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Indole-3-propanoic 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
- McGowan Method
- NIST Webbook
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