- InChI
- InChI=1S/C22H32N2O/c1-5-8-12-19(13-9-6-2)20-22(24-16-15-23-20)25-21-17(4)11-10-14-18(21)7-3/h10-11,14-16,19H,5-9,12-13H2,1-4H3
- InChI Key
- CROZTSWLMFSIDN-UHFFFAOYSA-N
- Formula
- C22H32N2O
- SMILES
-
CCCCC(CCCC)c1nccnc1Oc1c(C)cccc
1CC - Molecular Weight1
- 340.50
- CAS
- 116668-93-0
- 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 | 0.8530 | Relay (... Calculated Property | |
| ΔfG° | 254.45 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -138.66 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 99.56 | kJ/mol | Relay (... Calculated Property |
| IE | 7.98 | eV | Relay (... Calculated Property |
| log10WS | -5.97 | Relay (... Calculated Property | |
| logPoct/wat | 6.604 | Crippen Calculated Property | |
| McVol | 299.150 | ml/mol | McGowan Calculated Property |
| Pc | 1635.41 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 640.82 | K | Relay (... Calculated Property |
| Tc | 898.64 | K | Relay (... Calculated Property |
| Tfus | 275.69 | K | Relay (... Calculated Property |
| Vc | 1.097 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2-(2-Methyl-6-ethylphenoxy)-3-(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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