- InChI
- InChI=1S/C14H12N2/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9/h3-8H,1-2H3
- InChI Key
- IYRGXJIJGHOCFS-UHFFFAOYSA-N
- Formula
- C14H12N2
- SMILES
- Cc1ccc2ccc3ccc(C)nc3c2n1
- Molecular Weight1
- 208.26
- CAS
- 484-11-7
- Other Names
-
- 1,10-Phenanthroline, 2,9-dimethyl-
- 2,9-Dimethyl-o-phenanthroline
- 2,9-Dimethylphenanthroline
- 2,9-dimethyl-1,10-phenanthroline
- Neo-Cuproin
- 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 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 | 0.5330 | Relay (1.0) Calculated Property | |
| ΔfG° | 316.91 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 228.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.60 | kJ/mol | Heat capacities and molar enthalpies and entropies of fusion for anhydrous 1,10-phenanthroline and 2,9-dimethyl-1,10-phenanthroline |
| ΔvapH° | 87.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.400 | Crippen Calculated Property | |
| McVol | 165.400 | ml/mol | McGowan Calculated Property |
| Pc | 3347.82 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 628.46 | K | Relay (1.0) Calculated Property |
| Tc | 918.16 | K | Relay (1.0) Calculated Property |
| Tfus | 444.61 | K | Relay (1.0) Calculated Property |
| Vc | 0.634 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 17.60 | kJ/mol | 435.90 | NIST |
Similar Compounds
![Benzo[f]quinoline, 3-methyl-.](data:image/png;base64,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)
Find more compounds similar to Neocuproine.
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
- Heat capacities and molar enthalpies and entropies of fusion for anhydrous 1,10-phenanthroline and 2,9-dimethyl-1,10-phenanthroline
- McGowan Method
- NIST Webbook
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