- InChI
- InChI=1S/C12H7ClN2/c13-10-7-8-3-1-5-14-11(8)12-9(10)4-2-6-15-12/h1-7H
- InChI Key
- XDUUQOQFSWSZSM-UHFFFAOYSA-N
- Formula
- C12H7ClN2
- SMILES
- Clc1cc2cccnc2c2ncccc12
- Molecular Weight1
- 214.65
- CAS
- 4199-89-7
- Other Names
-
- 1,10-Phenanthroline, 5-chloro-
- 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 | 0.4870 | Relay (1.0) Calculated Property | |
| ΔfG° | 316.27 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 256.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 87.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.436 | Crippen Calculated Property | |
| McVol | 149.460 | ml/mol | McGowan Calculated Property |
| Pc | 4238.94 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 634.84 | K | Relay (1.0) Calculated Property |
| Tc | 957.32 | K | Relay (1.0) Calculated Property |
| Tfus | 372.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.564 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 5-Chloro-1,10-phenanthroline.
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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