- InChI
- InChI=1S/C22H17NO2/c1-14-11-12-15(2)20(13-14)25-22(24)21-16-7-3-5-9-18(16)23-19-10-6-4-8-17(19)21/h3-13H,1-2H3
- InChI Key
- XSOWTYRQEZMPRO-UHFFFAOYSA-N
- Formula
- C22H17NO2
- SMILES
-
Cc1ccc(C)c(OC(=O)c2c3ccccc3nc3
ccccc23)c1 - Molecular Weight1
- 327.38
- CAS
- 128649-37-6
- 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 | 0.7836 | Relay (... Calculated Property | |
| ΔfG° | 144.79 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -25.77 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 124.75 | kJ/mol | Relay (... Calculated Property |
| IE | 7.56 | eV | Relay (... Calculated Property |
| log10WS | -6.07 | Relay (... Calculated Property | |
| logPoct/wat | 5.224 | Crippen Calculated Property | |
| McVol | 251.820 | ml/mol | McGowan Calculated Property |
| Pc | 1928.93 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 737.83 | K | Relay (... Calculated Property |
| Tc | 1088.16 | K | Relay (... Calculated Property |
| Tfus | 422.56 | K | Relay (... Calculated Property |
| Vc | 0.929 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 37.90 | kJ/mol | 457.00 | NIST |
Similar Compounds
Find more compounds similar to 2,5-Dimethylphenyl acridine-9-carboxylate.
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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