- InChI
- InChI=1S/C32H52N2O/c1-3-5-7-9-11-12-13-14-16-18-20-22-30-27-33-28-32(34-30)35-31-25-23-29(24-26-31)21-19-17-15-10-8-6-4-2/h23-28H,3-22H2,1-2H3
- InChI Key
- YPHJBHBGEWQPLA-UHFFFAOYSA-N
- Formula
- C32H52N2O
- SMILES
-
CCCCCCCCCCCCCc1cncc(Oc2ccc(CCC
CCCCCC)cc2)n1 - Molecular Weight1
- 480.77
- CAS
- 116403-08-8
- 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 | 1.3304 | Relay (... Calculated Property | |
| ΔfG° | 319.39 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -370.51 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 150.56 | kJ/mol | Relay (... Calculated Property |
| IE | 8.79 | eV | Relay (... Calculated Property |
| log10WS | -9.74 | Relay (... Calculated Property | |
| logPoct/wat | 10.415 | Crippen Calculated Property | |
| McVol | 440.050 | ml/mol | McGowan Calculated Property |
| Pc | 681.69 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 734.78 | K | Relay (... Calculated Property |
| Tc | 970.49 | K | Relay (... Calculated Property |
| Tfus | 337.30 | K | Relay (... Calculated Property |
| Vc | 1.678 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2-(P-nonylphenoxy)-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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