- InChI
- InChI=1S/C24H29ClN2O3/c1-17(2)26-14-12-22(13-15-26)27(21-8-6-20(25)7-9-21)24(29)16-19-4-10-23(11-5-19)30-18(3)28/h4-11,17,22H,12-16H2,1-3H3
- InChI Key
- DPBIARGWIAWLJH-UHFFFAOYSA-N
- Formula
- C24H29ClN2O3
- SMILES
-
CC(=O)Oc1ccc(CC(=O)N(c2ccc(Cl)
cc2)C2CCN(C(C)C)CC2)cc1 - Molecular Weight1
- 428.95
- 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 | 0.8653 | Relay (1.0) Calculated Property | |
| ΔfG° | 76.54 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -457.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 128.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.714 | Crippen Calculated Property | |
| McVol | 331.850 | ml/mol | McGowan Calculated Property |
| Pc | 969.49 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2880.00 | NIST | |
| Tboil | 723.64 | K | Relay (1.0) Calculated Property |
| Tc | 998.57 | K | Relay (1.0) Calculated Property |
| Tfus | 404.33 | K | Relay (1.0) Calculated Property |
| Vc | 1.164 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to LORCAINIDE, M(HO-), AC.
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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