- InChI
- InChI=1S/C10H9NO3/c1-14-7-2-3-8-6(4-7)5-9(11-8)10(12)13/h2-5,11H,1H3,(H,12,13)
- InChI Key
- YEBJVSLNUMZXRJ-UHFFFAOYSA-N
- Formula
- C10H9NO3
- SMILES
- COc1ccc2[nH]c(C(=O)O)cc2c1
- Molecular Weight1
- 191.18
- CAS
- 4382-54-1
- Other Names
-
- 1H-Indole-2-carboxylic acid, 5-methoxy-
- Indole-2-carboxylic acid, 5-methoxy-
- Acide methoxy-5 indole carboxylique-2
- 5-Methoxy-2-indolecarboxylic 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 | 0.7978 | Relay (1.0) Calculated Property | |
| ΔfG° | -178.13 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -365.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 117.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.393 | Crippen Calculated Property | |
| McVol | 136.130 | ml/mol | McGowan Calculated Property |
| Pc | 4221.67 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 634.09 | K | Relay (1.0) Calculated Property |
| Tc | 924.70 | K | Relay (1.0) Calculated Property |
| Tfus | 503.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.500 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 5-Methoxyindole-2-carboxylic acid.
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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