- InChI
- InChI=1S/C11H11NO2/c13-11(14)6-8-12-7-5-9-3-1-2-4-10(9)12/h1-5,7H,6,8H2,(H,13,14)
- InChI Key
- OSWNOVFZARRSKM-UHFFFAOYSA-N
- Formula
- C11H11NO2
- SMILES
- O=C(O)CCn1ccc2ccccc21
- Molecular Weight1
- 189.21
- CAS
- 6639-06-1
- Other Names
-
- 1H-indole-1-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 | 0.7724 | Relay (1.0) Calculated Property | |
| ΔfG° | -30.74 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -247.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 109.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.116 | Crippen Calculated Property | |
| McVol | 144.350 | ml/mol | McGowan Calculated Property |
| Pc | 3729.63 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 609.60 | K | Relay (1.0) Calculated Property |
| Tc | 887.88 | K | Relay (1.0) Calculated Property |
| Tfus | 414.20 | K | Relay (1.0) Calculated Property |
| Vc | 0.529 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![1-[3-(Dimethylamino)propyl]indole.](data:image/png;base64,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)
Find more compounds similar to Indole-1-propionic acid.
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- Crippen Method
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