- InChI
- InChI=1S/C19H27N3/c1-4-5-6-7-9-12-17-15-20-16(2)19(21-17)22(3)18-13-10-8-11-14-18/h8,10-11,13-15H,4-7,9,12H2,1-3H3
- InChI Key
- BSHFCHHHHZWJOO-UHFFFAOYSA-N
- Formula
- C19H27N3
- SMILES
-
CCCCCCCc1cnc(C)c(N(C)c2ccccc2)
n1 - Molecular Weight1
- 297.44
- 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 | 0.8112 | Relay (1.0) Calculated Property | |
| ΔfG° | 424.62 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 106.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 98.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.066 | Crippen Calculated Property | |
| McVol | 260.990 | ml/mol | McGowan Calculated Property |
| Pc | 1742.76 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 645.72 | K | Relay (1.0) Calculated Property |
| Tc | 901.99 | K | Relay (1.0) Calculated Property |
| Tfus | 303.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.976 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3-(N-methylanilino)-2-methyl-5-(n-heptyl)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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