- InChI
- InChI=1S/C3H6N4/c1-3-4-6-7(2)5-3/h1-2H3
- InChI Key
- HVRBCXZGTURXBT-UHFFFAOYSA-N
- Formula
- C3H6N4
- SMILES
- Cc1nnn(C)n1
- Molecular Weight1
- 98.11
- CAS
- 4135-93-7
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- 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).
- Ttriple : Triple Point Temperature (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 | 0.4070 | Relay (... Calculated Property | |
| ΔcH°solid | -2240.50 ± 2.80 | kJ/mol | NIST |
| ΔfG° | 317.24 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 251.20 ± 2.90 | kJ/mol | NIST |
| ΔfH°solid | 202.50 ± 2.90 | kJ/mol | NIST |
| ΔsubH° | [48.70; 48.70] | kJ/mol |
|
| ΔsubH° | 48.70 ± 0.50 | kJ/mol | NIST |
| ΔsubH° | 48.70 | kJ/mol | NIST |
| ΔvapH° | 60.75 | kJ/mol | Relay (... Calculated Property |
| IE | 9.62 | eV | Relay (... Calculated Property |
| log10WS | 0.98 | Relay (... Calculated Property | |
| logPoct/wat | -0.481 | Crippen Calculated Property | |
| McVol | 73.590 | ml/mol | McGowan Calculated Property |
| Pc | 5803.17 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 494.68 | K | Relay (... Calculated Property |
| Tc | 665.44 | K | Relay (... Calculated Property |
| Tfus | 402.03 | K | Relay (... Calculated Property |
| Ttriple | 257.00 ± 1.00 | K | NIST |
| Vc | 0.309 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 13.50 | kJ/mol | 256.40 | NIST |
Similar Compounds
Find more compounds similar to 2H-Tetrazole, 2,5-dimethyl-.
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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