- InChI
- InChI=1S/C10H8N2/c1-2-4-9(5-3-1)10-6-7-11-8-12-10/h1-8H
- InChI Key
- MKLQPIYLZMLAER-UHFFFAOYSA-N
- Formula
- C10H8N2
- SMILES
- c1ccc(-c2ccncn2)cc1
- Molecular Weight1
- 156.18
- CAS
- 3438-48-0
- Other Names
-
- 4-Phenylpyrimidine
- 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).
- Inp : Non-polar retention indices.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 18.80 | kJ/mol | Hypothe... |
| ΔvapH° | 68.80 ± 2.50 | kJ/mol | NIST |
| IE | [8.65; 9.42] | eV |
|
| IE | 8.65 | eV | NIST |
| IE | 9.42 | eV | NIST |
| log10WS | -3.61 | Crippen Calculated Property | |
| logPoct/wat | 2.144 | Crippen Calculated Property | |
| McVol | 124.200 | ml/mol | McGowan Calculated Property |
| Inp | 1432.00 | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 18.80 | kJ/mol | 334.10 | NIST |
Similar Compounds
Find more compounds similar to Pyrimidine, 4-phenyl-.
Sources
- Crippen Method
- Crippen Method
- Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Heterocycles and Related Compounds
- McGowan Method
- NIST Webbook
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