- InChI
- InChI=1S/C16H21N3/c1-3-4-5-6-14-7-9-15(10-8-14)19-16-13(2)17-11-12-18-16/h7-12H,3-6H2,1-2H3,(H,18,19)
- InChI Key
- MFNGZKMUPMOGCW-UHFFFAOYSA-N
- Formula
- C16H21N3
- SMILES
- CCCCCc1ccc(N=c2[nH]ccnc2C)cc1
- Molecular Weight1
- 255.36
- CAS
- 116660-50-5
- 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 | 0.7092 | Relay (... Calculated Property | |
| ΔfG° | 375.04 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 173.89 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 100.94 | kJ/mol | Relay (... Calculated Property |
| IE | 7.92 | eV | Relay (... Calculated Property |
| log10WS | -4.73 | Relay (... Calculated Property | |
| logPoct/wat | 3.201 | Crippen Calculated Property | |
| McVol | 218.720 | ml/mol | McGowan Calculated Property |
| Pc | 2599.56 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 652.45 | K | Relay (... Calculated Property |
| Tc | 907.13 | K | Relay (... Calculated Property |
| Tfus | 381.63 | K | Relay (... Calculated Property |
| Vc | 0.799 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2-(P-n-pentylanilino)-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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