- InChI
- InChI=1S/C20H18ClNO4/c1-12-16(11-19(23)26-3)17-10-15(25-2)8-9-18(17)22(12)20(24)13-4-6-14(21)7-5-13/h4-10H,11H2,1-3H3
- InChI Key
- OKHORWCUMZIORR-UHFFFAOYSA-N
- Formula
- C20H18ClNO4
- SMILES
-
COC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)
cc2)c2ccc(OC)cc12 - Molecular Weight1
- 371.81
- CAS
- 1601-18-9
- Other Names
-
- 1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, methyl ester
- Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-, methyl ester
- 1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-3-indoleacetic acid methyl ester
- Methyl ester of indomethacin
- Indomethacine, methyl ester
- Indomethacin, methylated
- Indomethacin, methyl deriv.
- methyl 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetate
- 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 | 0.8666 | Relay (1.0) Calculated Property | |
| ΔfG° | -84.68 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -472.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 128.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.016 | Crippen Calculated Property | |
| McVol | 267.080 | ml/mol | McGowan Calculated Property |
| Pc | 1360.12 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 722.63 | K | Relay (1.0) Calculated Property |
| Tc | 1026.93 | K | Relay (1.0) Calculated Property |
| Tfus | 385.33 | K | Relay (1.0) Calculated Property |
| Vc | 0.962 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Indomethacin, methyl 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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