- 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
- 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).
- Psub : Sublimation 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 | 0.5425 | Relay (1.0) Calculated Property | |
| ΔfG° | -30.39 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -203.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 81.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.473 | Crippen Calculated Property | |
| McVol | 130.260 | ml/mol | McGowan Calculated Property |
| Pc | 3591.03 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 579.89 | K | Relay (1.0) Calculated Property |
| Tc | 853.03 | K | Relay (1.0) Calculated Property |
| Tfus | 397.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.483 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
Similar Compounds
Find more compounds similar to methyl 1H-indole-3-carboxylate.
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
- Thermodynamic properties of alkyl 1H-indole carboxylate derivatives: A combined experimental and computational study
- McGowan Method
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