- InChI
- InChI=1S/C18H16N2O/c1-13-12-19-14(2)18(20-13)21-17-11-7-6-10-16(17)15-8-4-3-5-9-15/h3-12H,1-2H3
- InChI Key
- YZZJKVRKCKCCIJ-UHFFFAOYSA-N
- Formula
- C18H16N2O
- SMILES
-
Cc1cnc(C)c(Oc2ccccc2-c2ccccc2)
n1 - Molecular Weight1
- 276.33
- CAS
- 116660-25-4
- 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 | 0.6128 | Relay (... Calculated Property | |
| ΔfG° | 327.55 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 165.11 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 103.32 | kJ/mol | Relay (... Calculated Property |
| IE | 7.84 | eV | Relay (... Calculated Property |
| log10WS | -4.28 | Relay (... Calculated Property | |
| logPoct/wat | 4.553 | Crippen Calculated Property | |
| McVol | 219.030 | ml/mol | McGowan Calculated Property |
| Pc | 3033.60 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 647.45 | K | Relay (... Calculated Property |
| Tc | 958.36 | K | Relay (... Calculated Property |
| Tfus | 361.02 | K | Relay (... Calculated Property |
| Vc | 0.809 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2-(O-phenylphenoxy)-3,6-dimethyl pyrazine.
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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