- InChI
- InChI=1S/C33H54N2O/c1-5-9-13-14-15-16-18-19-28-23-25-30(26-24-28)36-33-31(22-17-10-6-2)34-27-32(35-33)29(20-11-7-3)21-12-8-4/h23-27,29H,5-22H2,1-4H3
- InChI Key
- VPKTYKKCTNBEGU-UHFFFAOYSA-N
- Formula
- C33H54N2O
- SMILES
-
CCCCCCCCCc1ccc(Oc2nc(C(CCCC)CC
CC)cnc2CCCCC)cc1 - Molecular Weight1
- 494.79
- CAS
- 116402-98-3
- 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 | 1.2916 | Relay (1.0) Calculated Property | |
| ΔfG° | 297.95 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -396.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 137.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.759 | Crippen Calculated Property | |
| McVol | 454.140 | ml/mol | McGowan Calculated Property |
| Pc | 587.33 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 732.46 | K | Relay (1.0) Calculated Property |
| Tc | 973.76 | K | Relay (1.0) Calculated Property |
| Tfus | 295.19 | K | Relay (1.0) Calculated Property |
| Vc | 1.700 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-(P-nonylphenoxy)-3-(n-pentyl)-6-(5-nonyl) 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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