- InChI
- InChI=1S/C17H15NO3/c1-11(17(20)21)12-6-8-14(9-7-12)18-10-13-4-2-3-5-15(13)16(18)19/h2-9,11H,10H2,1H3,(H,20,21)
- InChI Key
- RJMIEHBSYVWVIN-UHFFFAOYSA-N
- Formula
- C17H15NO3
- SMILES
-
CC(C(=O)O)c1ccc(N2Cc3ccccc3C2=
O)cc1 - Molecular Weight1
- 281.31
- CAS
- 31842-01-0
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (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 | 0.8539 | Relay (1.0) Calculated Property | |
| ΔfG° | -83.37 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -347.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 111.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.31 | Aq. Solubility Prediction | |
| logPoct/wat | 3.035 | Crippen Calculated Property | |
| McVol | 211.000 | ml/mol | McGowan Calculated Property |
| Pc | 2298.04 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 678.37 | K | Relay (1.0) Calculated Property |
| Tc | 1011.84 | K | Relay (1.0) Calculated Property |
| Tfus | 446.33 | K | Relay (1.0) Calculated Property |
| Vc | 0.761 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 40.30 | kJ/mol | 484.60 | NIST |
Similar Compounds
Find more compounds similar to indoprofen.
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
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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