- InChI
- InChI=1S/C11H11NO2/c1-2-14-11(13)12-8-7-9-5-3-4-6-10(9)12/h3-8H,2H2,1H3
- InChI Key
- OEXNQFWEJRSZBW-UHFFFAOYSA-N
- Formula
- C11H11NO2
- SMILES
- CCOC(=O)n1ccc2ccccc21
- Molecular Weight1
- 189.21
- CAS
- 13307-67-0
- Other Names
-
- ethyl 1H-indole-1-carboxylate
- 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 | 0.5767 | Relay (1.0) Calculated Property | |
| ΔfG° | -0.87 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -259.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 82.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.646 | Crippen Calculated Property | |
| McVol | 144.350 | ml/mol | McGowan Calculated Property |
| Pc | 2829.16 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 588.73 | K | Relay (1.0) Calculated Property |
| Tc | 817.54 | K | Relay (1.0) Calculated Property |
| Tfus | 299.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.547 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Indole-1-carboxylic acid, ethyl ester.
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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