- InChI
- InChI=1S/C11H10ClNO2/c1-2-15-11(14)10-6-7-5-8(12)3-4-9(7)13-10/h3-6,13H,2H2,1H3
- InChI Key
- LWKIFKYHCJAIAB-UHFFFAOYSA-N
- Formula
- C11H10ClNO2
- SMILES
- CCOC(=O)c1cc2cc(Cl)ccc2[nH]1
- Molecular Weight1
- 223.66
- CAS
- 4792-67-0
- Other Names
-
- Ethyl 5-chloroindole-2-carboxylate
- Indole-2-carboxylic acid, 5-chloro-, ethyl ester
- Ethyl 5-chloro-2-indolecarboxylate
- Ethyl 5-chloro-1H-indole-2-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).
- Inp : Non-polar retention indices.
- 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 | 0.6088 | Relay (1.0) Calculated Property | |
| ΔfG° | -80.58 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -288.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 87.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.516 | Crippen Calculated Property | |
| McVol | 156.590 | ml/mol | McGowan Calculated Property |
| Pc | 2902.48 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1938.00 | NIST | |
| Tboil | 619.56 | K | Relay (1.0) Calculated Property |
| Tc | 867.10 | K | Relay (1.0) Calculated Property |
| Tfus | 431.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.579 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Indole-2-carboxylic acid, 5-chloro-, 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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