- InChI
- InChI=1S/C21H20ClNO4/c1-4-27-20(24)12-17-13(2)23(19-10-9-16(26-3)11-18(17)19)21(25)14-5-7-15(22)8-6-14/h5-11H,4,12H2,1-3H3
- InChI Key
- COIRSVPTDJIIKY-UHFFFAOYSA-N
- Formula
- C21H20ClNO4
- SMILES
-
CCOC(=O)Cc1c(C)n(C(=O)c2ccc(Cl
)cc2)c2ccc(OC)cc12 - Molecular Weight1
- 385.84
- 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 | 0.9020 | Relay (... Calculated Property | |
| ΔfG° | -103.83 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -511.07 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 127.65 | kJ/mol | Relay (... Calculated Property |
| IE | 7.73 | eV | Relay (... Calculated Property |
| log10WS | -5.18 | Relay (... Calculated Property | |
| logPoct/wat | 4.406 | Crippen Calculated Property | |
| McVol | 281.170 | ml/mol | McGowan Calculated Property |
| Pc | 1171.78 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3038.00; 3038.00] |
|
|
| Inp | 3038.00 | NIST | |
| Inp | 3038.00 | NIST | |
| Tboil | 734.09 | K | Relay (... Calculated Property |
| Tc | 1024.23 | K | Relay (... Calculated Property |
| Tfus | 378.59 | K | Relay (... Calculated Property |
| Vc | 1.016 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Indomethacin, 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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