- InChI
- InChI=1S/C12H13NO2/c1-2-15-12(14)7-9-8-13-11-6-4-3-5-10(9)11/h3-6,8,13H,2,7H2,1H3
- InChI Key
- HUDBDWIQSIGUDI-UHFFFAOYSA-N
- Formula
- C12H13NO2
- SMILES
- CCOC(=O)Cc1c[nH]c2ccccc12
- Molecular Weight1
- 203.24
- CAS
- 778-82-5
- Other Names
-
- Indole-3-acetic acid, ethyl ester
- Ethyl «beta»-indolylacetate
- Ethyl indol-3-ylacetate
- Ethyl indole-3-acetate
- Ethyl 3-indoleacetate
- Ethyl 3-indolylacetate
- Ethyl 1H-indol-3-ylacetate
- NSC 38002
- 3-Indoleacetic acid, ethyl ester
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.5858 | Relay (1.0) Calculated Property | |
| ΔfG° | -27.51 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -272.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 87.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.792 | Crippen Calculated Property | |
| McVol | 158.440 | ml/mol | McGowan Calculated Property |
| Pc | 2764.60 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1903.00; 1903.00] |
|
|
| Inp | 1903.00 | NIST | |
| Inp | 1903.00 | NIST | |
| Tboil | 597.89 | K | Relay (1.0) Calculated Property |
| Tc | 857.07 | K | Relay (1.0) Calculated Property |
| Tfus | 366.37 | K | Relay (1.0) Calculated Property |
| Vc | 0.588 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 438.20 | K | 0.10 | NIST |
Similar Compounds
Find more compounds similar to 1H-Indole-3-acetic acid, 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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