- InChI
- InChI=1S/C23H35N3/c1-4-6-8-9-12-15-20-19-24-22(18-11-7-5-2)23(25-20)26(3)21-16-13-10-14-17-21/h10,13-14,16-17,19H,4-9,11-12,15,18H2,1-3H3
- InChI Key
- QFNYGBRCCGYZQK-UHFFFAOYSA-N
- Formula
- C23H35N3
- SMILES
-
CCCCCCCc1cnc(CCCCC)c(N(C)c2ccc
cc2)n1 - Molecular Weight1
- 353.54
- CAS
- 116402-85-8
- 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 | 0.9730 | Relay (1.0) Calculated Property | |
| ΔfG° | 440.86 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 15.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 111.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.490 | Crippen Calculated Property | |
| McVol | 317.350 | ml/mol | McGowan Calculated Property |
| Pc | 1305.77 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 676.48 | K | Relay (1.0) Calculated Property |
| Tc | 930.86 | K | Relay (1.0) Calculated Property |
| Tfus | 300.15 | K | Relay (1.0) Calculated Property |
| Vc | 1.194 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3-(N-methylanilino)-2-(n-pentyl)-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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