- InChI
- InChI=1S/C3H3N3/c1-4-2-6-3-5-1/h1-3H
- InChI Key
- JIHQDMXYYFUGFV-UHFFFAOYSA-N
- Formula
- C3H3N3
- SMILES
- c1ncncn1
- Molecular Weight1
- 81.08
- Other Names
-
- s-Triazine
- Cyanidine
- Vedita 250
- s-Triazine-(1,3,5)
- sym-Triazine
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- ΔcH°solid : Standard solid 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°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- Inp : Non-polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°solid,1 bar : Solid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 848.80 | kJ/mol | NIST |
| BasG | 819.60 | kJ/mol | NIST |
| ΔcH°liquid | -1782.60 ± 0.92 | kJ/mol | NIST |
| ΔcH°solid | -1780.96 ± 0.67 | kJ/mol | NIST |
| EA | 0.45 | eV | NIST |
| ΔfH°gas | [224.70; 225.87] | kJ/mol |
|
| ΔfH°gas | 225.87 ± 0.89 | kJ/mol | NIST |
| ΔfH°gas | 224.70 ± 4.60 | kJ/mol | NIST |
| ΔfH°solid | 171.69 ± 0.77 | kJ/mol | NIST |
| ΔsubH° | [54.18; 56.50] | kJ/mol |
|
| ΔsubH° | 54.18 ± 0.19 | kJ/mol | NIST |
| ΔsubH° | 54.20 | kJ/mol | NIST |
| ΔsubH° | 54.20 ± 0.20 | kJ/mol | NIST |
| ΔsubH° | 56.50 ± 2.10 | kJ/mol | NIST |
| ΔvapH° | [38.80; 55.20] | kJ/mol |
|
| ΔvapH° | 38.80 ± 1.90 | kJ/mol | NIST |
| ΔvapH° | 55.20 ± 0.10 | kJ/mol | NIST |
| IE | [9.80; 10.51] | eV |
|
| IE | 9.80 | eV | NIST |
| IE | 9.98 | eV | NIST |
| IE | 10.01 ± 0.01 | eV | NIST |
| IE | 10.10 | eV | NIST |
| IE | 10.07 ± 0.05 | eV | NIST |
| IE | Outlier 10.51 | eV | NIST |
| log10WS | 0.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.128 | Crippen Calculated Property | |
| McVol | 59.310 | ml/mol | McGowan Calculated Property |
| Inp | [663.00; 663.00] |
|
|
| Inp | 663.00 | NIST | |
| Inp | 663.00 | NIST | |
| S°solid,1 bar | 125.97 | J/mol×K | NIST |
| Tboil | 387.20 | K | NIST |
| Tfus | 390.73 | K | Relay (1.0) Calculated Property |
| Ttriple | [353.44; 353.90] | K |
|
| Ttriple | 353.44 ± 0.02 | K | NIST |
| Ttriple | 353.90 ± 0.20 | K | NIST |
| Ttriple | 353.90 ± 0.20 | K | NIST |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,solid | [95.57; 95.60] | J/mol×K | [298.15; 298.15] |
|
| Cp,solid | 95.57 | J/mol×K | 298.15 | NIST |
| Cp,solid | 95.60 | J/mol×K | 298.15 | NIST |
| ΔfusH | [0.07; 14.56] | kJ/mol | [197.70; 353.40] |
|
| ΔfusH | 0.07 | kJ/mol | 197.70 | NIST |
| ΔfusH | 14.56 | kJ/mol | 353.40 | NIST |
| ΔfusH | 14.56 | kJ/mol | 353.40 | NIST |
| ΔsubH | 58.20 | kJ/mol | 220.50 | NIST |
| ΔfusS | [0.37; 41.20] | J/mol×K | [197.70; 353.40] |
|
| ΔfusS | 0.37 | J/mol×K | 197.70 | NIST |
| ΔfusS | 41.20 | J/mol×K | 353.40 | NIST |
Similar Compounds
Find more compounds similar to 1,3,5-Triazine.
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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