- InChI
- InChI=1S/C15H10Cl2N2O2/c16-10-6-5-9(12(17)7-10)8-19-13-4-2-1-3-11(13)14(18-19)15(20)21/h1-7H,8H2,(H,20,21)
- InChI Key
- WDRYRZXSPDWGEB-UHFFFAOYSA-N
- Formula
- C15H10Cl2N2O2
- SMILES
-
O=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2c
cccc12 - Molecular Weight1
- 321.16
- CAS
- 50264-69-2
- 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 | 0.8898 | Relay (1.0) Calculated Property | |
| ΔfG° | 77.02 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -91.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 126.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.090 | Crippen Calculated Property | |
| McVol | 211.410 | ml/mol | McGowan Calculated Property |
| Pc | 2867.85 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 694.42 | K | Relay (1.0) Calculated Property |
| Tc | 1066.08 | K | Relay (1.0) Calculated Property |
| Tfus | 456.63 | K | Relay (1.0) Calculated Property |
| Vc | 0.771 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 45.92 | kJ/mol | 480.20 | NIST |
Similar Compounds
Find more compounds similar to lonidamine.
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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