- InChI
- InChI=1S/C29H46N2O/c1-5-8-11-12-13-14-15-16-25-19-21-27(22-20-25)32-29-24(4)30-23-28(31-29)26(17-9-6-2)18-10-7-3/h19-23,26H,5-18H2,1-4H3
- InChI Key
- ZNUOKLVLLDFYRI-UHFFFAOYSA-N
- Formula
- C29H46N2O
- SMILES
-
CCCCCCCCCc1ccc(Oc2nc(C(CCCC)CC
CC)cnc2C)cc1 - Molecular Weight1
- 438.69
- CAS
- 116402-96-1
- 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 | 1.1415 | Relay (... Calculated Property | |
| ΔfG° | 281.73 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -316.62 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 125.63 | kJ/mol | Relay (... Calculated Property |
| IE | 8.12 | eV | Relay (... Calculated Property |
| log10WS | -8.35 | Relay (... Calculated Property | |
| logPoct/wat | 9.334 | Crippen Calculated Property | |
| McVol | 397.780 | ml/mol | McGowan Calculated Property |
| Pc | 907.35 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 706.14 | K | Relay (... Calculated Property |
| Tc | 947.45 | K | Relay (... Calculated Property |
| Tfus | 305.56 | K | Relay (... Calculated Property |
| Vc | 1.482 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2-(P-nonylphenoxy)-3-methyl-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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