- InChI
- InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H
- InChI Key
- KYQCOXFCLRTKLS-UHFFFAOYSA-N
- Formula
- C4H4N2
- SMILES
- c1cnccn1
- Molecular Weight1
- 80.09
- CAS
- 290-37-9
- Other Names
-
- 1,4-DIAZABENZENE
- 1,4-Diazine
- P-DIAZINE
- PARADIAZINE
- Piazine
- para-diazine
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.2400 | KDB | |
| PAff | 877.10 | kJ/mol | NIST |
| BasG | 847.00 | kJ/mol | NIST |
| ΔcH°liquid | -2285.50 ± 1.20 | kJ/mol | NIST |
| EA | -0.07 | eV | NIST |
| ΔfH°gas | 196.10 ± 1.50 | kJ/mol | NIST |
| ΔfH°liquid | 139.80 ± 1.20 | kJ/mol | NIST |
| ΔvapH° | [40.50; 56.30] | kJ/mol |
|
| ΔvapH° | 40.50 ± 1.70 | kJ/mol | NIST |
| ΔvapH° | 56.27 ± 0.46 | kJ/mol | NIST |
| ΔvapH° | 56.30 | kJ/mol | NIST |
| IE | [9.00; 9.63] | eV |
|
| IE | 9.00 | eV | NIST |
| IE | 9.28 ± 0.01 | eV | NIST |
| IE | 9.29 | eV | NIST |
| IE | 9.22 | eV | NIST |
| IE | 9.28 ± 0.05 | eV | NIST |
| IE | 9.36 | eV | NIST |
| IE | 9.29 ± 0.01 | eV | NIST |
| IE | 9.29 ± 0.03 | eV | NIST |
| IE | 9.63 | eV | NIST |
| IE | 9.63 | eV | NIST |
| log10WS | -1.00 | Crippen Calculated Property | |
| logPoct/wat | 0.477 | Crippen Calculated Property | |
| McVol | 63.420 | ml/mol | McGowan Calculated Property |
| Pc | 5800.00 | kPa | KDB |
| Inp | [672.00; 760.00] |
|
|
| Inp | 722.00 | NIST | |
| Inp | 722.00 | NIST | |
| Inp | 722.00 | NIST | |
| Inp | 696.00 | NIST | |
| Inp | 712.00 | NIST | |
| Inp | 718.00 | NIST | |
| Inp | 721.00 | NIST | |
| Inp | 715.00 | NIST | |
| Inp | 740.00 | NIST | |
| Inp | 704.00 | NIST | |
| Inp | 706.00 | NIST | |
| Inp | 718.00 | NIST | |
| Inp | 718.00 | NIST | |
| Inp | 734.00 | NIST | |
| Inp | 740.00 | NIST | |
| Inp | 736.00 | NIST | |
| Inp | 736.00 | NIST | |
| Inp | 750.00 | NIST | |
| Inp | 739.00 | NIST | |
| Inp | 711.00 | NIST | |
| Inp | 707.00 | NIST | |
| Inp | 707.00 | NIST | |
| Inp | 707.00 | NIST | |
| Inp | 710.00 | NIST | |
| Inp | 702.00 | NIST | |
| Inp | 734.00 | NIST | |
| Inp | 706.00 | NIST | |
| Inp | 713.10 | NIST | |
| Inp | 710.30 | NIST | |
| Inp | 710.60 | NIST | |
| Inp | 710.00 | NIST | |
| Inp | 703.00 | NIST | |
| Inp | 738.00 | NIST | |
| Inp | 713.00 | NIST | |
| Inp | Outlier 757.00 | NIST | |
| Inp | 739.00 | NIST | |
| Inp | 745.00 | NIST | |
| Inp | Outlier 760.00 | NIST | |
| Inp | 739.00 | NIST | |
| Inp | 696.00 | NIST | |
| Inp | 737.00 | NIST | |
| Inp | 747.00 | NIST | |
| Inp | 734.00 | NIST | |
| Inp | 744.00 | NIST | |
| Inp | 740.00 | NIST | |
| Inp | 738.00 | NIST | |
| Inp | 731.60 | NIST | |
| Inp | 732.00 | NIST | |
| Inp | 712.00 | NIST | |
| Inp | 730.00 | NIST | |
| Inp | 701.00 | NIST | |
| Inp | 709.00 | NIST | |
| Inp | 714.00 | NIST | |
| Inp | 711.00 | NIST | |
| Inp | 722.00 | NIST | |
| Inp | 710.00 | NIST | |
| Inp | 723.00 | NIST | |
| Inp | 711.00 | NIST | |
| Inp | 706.00 | NIST | |
| Inp | 716.00 | NIST | |
| Inp | 706.00 | NIST | |
| Inp | 712.00 | NIST | |
| Inp | 710.00 | NIST | |
| Inp | 714.00 | NIST | |
| Inp | 718.00 | NIST | |
| Inp | 710.00 | NIST | |
| Inp | 710.00 | NIST | |
| Inp | 710.00 | NIST | |
| Inp | 708.00 | NIST | |
| Inp | 710.00 | NIST | |
| Inp | 729.00 | NIST | |
| Inp | Outlier 672.00 | NIST | |
| Inp | 730.00 | NIST | |
| Inp | Outlier 672.00 | NIST | |
| Inp | 739.00 | NIST | |
| Inp | 741.00 | NIST | |
| Inp | 734.00 | NIST | |
| Inp | 731.00 | NIST | |
| Inp | 731.00 | NIST | |
| Inp | 733.00 | NIST | |
| Inp | 731.00 | NIST | |
| Inp | 739.00 | NIST | |
| Inp | 710.00 | NIST | |
| Inp | 718.00 | NIST | |
| Inp | 737.00 | NIST | |
| Inp | 738.00 | NIST | |
| Inp | 701.00 | NIST | |
| Inp | 710.00 | NIST | |
| Inp | 706.00 | NIST | |
| I | [1179.00; 1257.00] |
|
|
| I | 1216.00 | NIST | |
| I | 1206.00 | NIST | |
| I | 1219.00 | NIST | |
| I | 1196.00 | NIST | |
| I | 1200.00 | NIST | |
| I | 1209.00 | NIST | |
| I | 1223.00 | NIST | |
| I | 1228.00 | NIST | |
| I | 1213.00 | NIST | |
| I | Outlier 1253.00 | NIST | |
| I | Outlier 1257.00 | NIST | |
| I | 1210.00 | NIST | |
| I | 1196.00 | NIST | |
| I | 1209.00 | NIST | |
| I | 1207.00 | NIST | |
| I | 1243.00 | NIST | |
| I | 1243.00 | NIST | |
| I | 1204.00 | NIST | |
| I | 1204.00 | NIST | |
| I | 1201.00 | NIST | |
| I | 1232.00 | NIST | |
| I | 1232.00 | NIST | |
| I | 1231.00 | NIST | |
| I | 1243.00 | NIST | |
| I | 1201.00 | NIST | |
| I | 1232.00 | NIST | |
| I | 1197.00 | NIST | |
| I | 1217.00 | NIST | |
| I | 1208.00 | NIST | |
| I | 1210.00 | NIST | |
| I | 1214.00 | NIST | |
| I | 1231.00 | NIST | |
| I | 1231.00 | NIST | |
| I | 1231.00 | NIST | |
| I | 1207.00 | NIST | |
| I | 1241.00 | NIST | |
| I | 1207.00 | NIST | |
| I | 1180.00 | NIST | |
| I | 1215.00 | NIST | |
| I | 1179.00 | NIST | |
| I | 1206.00 | NIST | |
| I | 1212.00 | NIST | |
| I | 1214.00 | NIST | |
| I | 1212.00 | NIST | |
| I | 1194.00 | NIST | |
| I | 1214.00 | NIST | |
| I | 1196.00 | NIST | |
| I | 1222.00 | NIST | |
| I | 1194.00 | NIST | |
| I | 1218.00 | NIST | |
| I | 1224.00 | NIST | |
| I | 1179.00 | NIST | |
| I | 1194.00 | NIST | |
| I | 1196.00 | NIST | |
| I | 1216.00 | NIST | |
| I | 1201.00 | NIST | |
| I | 1210.00 | NIST | |
| I | 1207.00 | NIST | |
| I | 1179.00 | NIST | |
| I | 1209.00 | NIST | |
| I | 1204.00 | NIST | |
| Tboil | [388.60; 390.35] | K |
|
| Tboil | 388.60 | K | KDB |
| Tboil | 388.70 | K | NIST |
| Tboil | 388.65 ± 1.00 | K | NIST |
| Tboil | 390.35 ± 0.50 | K | NIST |
| Tc | 622.00 | K | KDB |
| Tfus | [320.15; 334.05] | K |
|
| Tfus | 326.00 | K | KDB |
| Tfus | 324.00 ± 0.10 | K | NIST |
| Tfus | 320.15 ± 1.00 | K | NIST |
| Tfus | 334.05 ± 6.00 | K | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,solid | 180.00 | J/mol×K | 298.00 | NIST |
| ΔfusH | [12.95; 14.78] | kJ/mol | [192.50; 328.20] |
|
| ΔfusH | 14.78 | kJ/mol | 192.50 | NIST |
| ΔfusH | 12.95 | kJ/mol | 328.20 | NIST |
| ΔsubH | 56.20 | kJ/mol | 302.50 | NIST |
| ΔvapH | [34.10; 38.80] | kJ/mol | [352.50; 390.00] |
|
| ΔvapH | 37.90 | kJ/mol | 352.50 | NIST |
| ΔvapH | 38.80 ± 0.10 | kJ/mol | 390.00 | NIST |
| ΔvapH | 36.50 ± 0.20 | kJ/mol | 390.00 | NIST |
| ΔvapH | 34.10 ± 0.40 | kJ/mol | 390.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 388.70 | K | 102.00 | NIST |
Similar Compounds
Find more compounds similar to Pyrazine.
Mixtures
Sources
- Crippen Method
- Crippen Method
- Solubility of Pyrazine and Its Derivatives in Supercritical Carbon Dioxide
- KDB
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
Take the time to validate and double check the source of the data.
Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.