- InChI
- InChI=1S/C33H54N2O/c1-4-6-8-10-12-13-14-15-17-19-21-23-31-28-34-29(3)33(35-31)36-32-26-24-30(25-27-32)22-20-18-16-11-9-7-5-2/h24-28H,4-23H2,1-3H3
- InChI Key
- QDOASHAXZZEMKB-UHFFFAOYSA-N
- Formula
- C33H54N2O
- SMILES
-
CCCCCCCCCCCCCc1cnc(C)c(Oc2ccc(
CCCCCCCCC)cc2)n1 - Molecular Weight1
- 494.79
- 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 | 1.3449 | Relay (... Calculated Property | |
| ΔfG° | 314.03 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -398.63 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 149.52 | kJ/mol | Relay (... Calculated Property |
| IE | 8.50 | eV | Relay (... Calculated Property |
| log10WS | -9.64 | Relay (... Calculated Property | |
| logPoct/wat | 10.724 | Crippen Calculated Property | |
| McVol | 454.140 | ml/mol | McGowan Calculated Property |
| Pc | 580.65 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 732.79 | K | Relay (... Calculated Property |
| Tc | 971.39 | K | Relay (... Calculated Property |
| Tfus | 331.95 | K | Relay (... Calculated Property |
| Vc | 1.731 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2-(P-nonylphenoxy)-3-methyl-6-tridecyl 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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