- InChI
- InChI=1S/C11H11NO2/c1-2-14-11(13)10-7-8-5-3-4-6-9(8)12-10/h3-7,12H,2H2,1H3
- InChI Key
- QQXQAEWRSVZPJM-UHFFFAOYSA-N
- Formula
- C11H11NO2
- SMILES
- CCOC(=O)c1cc2ccccc2[nH]1
- Molecular Weight1
- 189.21
- CAS
- 3770-50-1
- Other Names
-
- 2-Carbethoxyindole
- 2-ethoxycarbonylindole
- Ethyl indole-2-carboxylate
- Indole-2-carboxylic acid, ethyl ester
- ethyl 1H-indole-2-carboxylate
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Psub : Sublimation pressure (kPa).
- Inp : Non-polar retention indices.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -3.16 | Crippen Calculated Property | |
| logPoct/wat | 1.863 | Crippen Calculated Property | |
| McVol | 144.350 | ml/mol | McGowan Calculated Property |
| Inp | 1720.00 | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Psub | [7.40e-05; 9.95e-04] | kPa | [326.18; 348.11] | 
|
| Psub | 7.90e-05 | kPa | 326.18 | Thermod... |
| Psub | 7.40e-05 | kPa | 326.18 | Thermod... |
| Psub | 7.40e-05 | kPa | 326.18 | Thermod... |
| Psub | 1.01e-04 | kPa | 328.21 | Thermod... |
| Psub | 9.80e-05 | kPa | 328.21 | Thermod... |
| Psub | 9.10e-05 | kPa | 328.21 | Thermod... |
| Psub | 1.26e-04 | kPa | 330.12 | Thermod... |
| Psub | 1.23e-04 | kPa | 330.12 | Thermod... |
| Psub | 1.22e-04 | kPa | 330.12 | Thermod... |
| Psub | 1.54e-04 | kPa | 332.18 | Thermod... |
| Psub | 1.55e-04 | kPa | 332.18 | Thermod... |
| Psub | 1.57e-04 | kPa | 332.18 | Thermod... |
| Psub | 2.03e-04 | kPa | 334.22 | Thermod... |
| Psub | 1.96e-04 | kPa | 334.22 | Thermod... |
| Psub | 2.02e-04 | kPa | 334.22 | Thermod... |
| Psub | 2.48e-04 | kPa | 336.12 | Thermod... |
| Psub | 2.49e-04 | kPa | 336.12 | Thermod... |
| Psub | 2.56e-04 | kPa | 336.12 | Thermod... |
| Psub | 3.12e-04 | kPa | 338.18 | Thermod... |
| Psub | 3.22e-04 | kPa | 338.18 | Thermod... |
| Psub | 3.12e-04 | kPa | 338.18 | Thermod... |
| Psub | 3.99e-04 | kPa | 340.21 | Thermod... |
| Psub | 4.10e-04 | kPa | 340.21 | Thermod... |
| Psub | 3.94e-04 | kPa | 340.21 | Thermod... |
| Psub | 5.01e-04 | kPa | 342.12 | Thermod... |
| Psub | 5.04e-04 | kPa | 342.12 | Thermod... |
| Psub | 5.03e-04 | kPa | 342.12 | Thermod... |
| Psub | 6.14e-04 | kPa | 344.16 | Thermod... |
| Psub | 6.27e-04 | kPa | 344.16 | Thermod... |
| Psub | 6.59e-04 | kPa | 344.16 | Thermod... |
| Psub | 7.68e-04 | kPa | 346.18 | Thermod... |
| Psub | 8.08e-04 | kPa | 346.18 | Thermod... |
| Psub | 8.35e-04 | kPa | 346.18 | Thermod... |
| Psub | 9.81e-04 | kPa | 348.11 | Thermod... |
| Psub | 9.95e-04 | kPa | 348.11 | Thermod... |
| Psub | 9.88e-04 | kPa | 348.11 | Thermod... |
Similar Compounds
Find more compounds similar to 1H-Indole-2-carboxylic acid, ethyl ester.
Sources
- Crippen Method
- Crippen Method
- Thermodynamic properties of alkyl 1H-indole carboxylate derivatives: A combined experimental and computational study
- McGowan Method
- NIST Webbook
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