- InChI
- InChI=1S/C15H18N2O/c1-11-14(17-10-9-16-11)18-13-7-5-12(6-8-13)15(2,3)4/h5-10H,1-4H3
- InChI Key
- QSRAWVAHHWVLRU-UHFFFAOYSA-N
- Formula
- C15H18N2O
- SMILES
- Cc1nccnc1Oc1ccc(C(C)(C)C)cc1
- Molecular Weight1
- 242.32
- CAS
- 116660-14-1
- 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 | 0.5661 | Relay (... Calculated Property | |
| ΔfG° | 216.65 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -4.84 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 77.15 | kJ/mol | Relay (... Calculated Property |
| IE | 8.20 | eV | Relay (... Calculated Property |
| log10WS | -4.18 | Relay (... Calculated Property | |
| logPoct/wat | 3.875 | Crippen Calculated Property | |
| McVol | 200.520 | ml/mol | McGowan Calculated Property |
| Pc | 2494.73 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 582.92 | K | Relay (... Calculated Property |
| Tc | 855.30 | K | Relay (... Calculated Property |
| Tfus | 327.53 | K | Relay (... Calculated Property |
| Vc | 0.738 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2-(P-t-butylphenoxy)-3-methyl 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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