- InChI
- InChI=1S/C9H12N2/c1-6-3-4-8-9(6)11-7(2)5-10-8/h5-6H,3-4H2,1-2H3
- InChI Key
- BSJXUYSXMSRKHW-UHFFFAOYSA-N
- Formula
- C9H12N2
- SMILES
- Cc1cnc2c(n1)C(C)CC2
- Molecular Weight1
- 148.21
- Other Names
-
- 5-methyl-2,3-(«alpha»methyltrimethylene)pyrazine
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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 | 0.4291 | Relay (1.0) Calculated Property | |
| ΔfG° | 204.84 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 91.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 57.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.835 | Crippen Calculated Property | |
| McVol | 123.010 | ml/mol | McGowan Calculated Property |
| Pc | 3538.01 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1194.00; 1243.00] |
|
|
| Inp | 1243.00 | NIST | |
| Inp | 1194.00 | NIST | |
| Inp | 1220.00 | NIST | |
| Inp | 1243.00 | NIST | |
| I | [1676.00; 1680.00] |
|
|
| I | 1680.00 | NIST | |
| I | 1676.00 | NIST | |
| I | 1680.00 | NIST | |
| I | 1676.00 | NIST | |
| Tboil | 498.33 | K | Relay (1.0) Calculated Property |
| Tc | 742.79 | K | Relay (1.0) Calculated Property |
| Tfus | 294.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.458 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3,5-Dimethyl-6,7-dihydro-5H-cyclopentapyrazine.
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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