- InChI
- InChI=1S/C10H9NO2/c1-13-10(12)8-6-11-9-5-3-2-4-7(8)9/h2-6,11H,1H3
- InChI Key
- QXAUTQFAWKKNLM-UHFFFAOYSA-N
- Formula
- C10H9NO2
- SMILES
- COC(=O)c1c[nH]c2ccccc12
- Molecular Weight1
- 175.19
- Other Names
-
- 3-methoxycarbonylindole
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -2.74 | Crippen Calculated Property | |
| logPoct/wat | 1.473 | Crippen Calculated Property | |
| McVol | 130.260 | ml/mol | McGowan Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Psub | [9.70e-05; 9.92e-04] | kPa | [353.17; 375.09] | 
|
| Psub | 1.08e-04 | kPa | 353.17 | Thermod... |
| Psub | 9.80e-05 | kPa | 353.17 | Thermod... |
| Psub | 9.70e-05 | kPa | 353.17 | Thermod... |
| Psub | 1.30e-04 | kPa | 355.12 | Thermod... |
| Psub | 1.27e-04 | kPa | 355.12 | Thermod... |
| Psub | 1.22e-04 | kPa | 355.12 | Thermod... |
| Psub | 1.48e-04 | kPa | 357.10 | Thermod... |
| Psub | 1.54e-04 | kPa | 357.10 | Thermod... |
| Psub | 1.53e-04 | kPa | 357.10 | Thermod... |
| Psub | 1.81e-04 | kPa | 359.16 | Thermod... |
| Psub | 1.79e-04 | kPa | 359.16 | Thermod... |
| Psub | 1.89e-04 | kPa | 359.16 | Thermod... |
| Psub | 2.34e-04 | kPa | 361.11 | Thermod... |
| Psub | 2.26e-04 | kPa | 361.11 | Thermod... |
| Psub | 2.32e-04 | kPa | 361.11 | Thermod... |
| Psub | 2.84e-04 | kPa | 363.10 | Thermod... |
| Psub | 2.85e-04 | kPa | 363.10 | Thermod... |
| Psub | 2.83e-04 | kPa | 363.10 | Thermod... |
| Psub | 3.51e-04 | kPa | 365.16 | Thermod... |
| Psub | 3.71e-04 | kPa | 365.16 | Thermod... |
| Psub | 3.47e-04 | kPa | 365.16 | Thermod... |
| Psub | 4.39e-04 | kPa | 367.12 | Thermod... |
| Psub | 4.52e-04 | kPa | 367.12 | Thermod... |
| Psub | 4.27e-04 | kPa | 367.12 | Thermod... |
| Psub | 5.28e-04 | kPa | 369.10 | Thermod... |
| Psub | 5.14e-04 | kPa | 369.10 | Thermod... |
| Psub | 5.31e-04 | kPa | 369.10 | Thermod... |
| Psub | 6.44e-04 | kPa | 371.16 | Thermod... |
| Psub | 6.37e-04 | kPa | 371.16 | Thermod... |
| Psub | 7.07e-04 | kPa | 371.16 | Thermod... |
| Psub | 7.92e-04 | kPa | 373.09 | Thermod... |
| Psub | 7.99e-04 | kPa | 373.09 | Thermod... |
| Psub | 8.22e-04 | kPa | 373.09 | Thermod... |
| Psub | 9.77e-04 | kPa | 375.09 | Thermod... |
| Psub | 9.92e-04 | kPa | 375.09 | Thermod... |
| Psub | 9.60e-04 | kPa | 375.09 | Thermod... |
Similar Compounds
Find more compounds similar to methyl 1H-indole-3-carboxylate.
Sources
- Crippen Method
- Crippen Method
- Thermodynamic properties of alkyl 1H-indole carboxylate derivatives: A combined experimental and computational study
- McGowan Method
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