- InChI
- InChI=1S/C6N4/c7-1-5(2-8)6(3-9)4-10
- InChI Key
- NLDYACGHTUPAQU-UHFFFAOYSA-N
- Formula
- C6N4
- SMILES
- N#CC(C#N)=C(C#N)C#N
- Molecular Weight1
- 128.09
- CAS
- 670-54-2
- Other Names
-
- Ethenetetracarbonitrile
- «delta»2,2'-Bimalononitrile
- Ethene, tetracyano-
- Ethylenetetracarbonitrile
- Tetracyanoethene
- TCNE
- (NC)2CC(CN)2
- Tetrakyanethylen
- 1,1,2,2-Tetracyanoethene
- 1,1,2,2-Tetracyanoethylene
- Ethylene, tetracyano-
- 1,1,2,2-Ethenetetracarbonitrile
- NSC 24833
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- 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 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).
- 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).
- 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 | 0.5309 | Relay (1.0) Calculated Property | |
| ΔcH°solid | [-3033.30; -2985.00] | kJ/mol |
|
| ΔcH°solid | -2996.00 ± 2.00 | kJ/mol | NIST |
| ΔcH°solid | -3033.30 | kJ/mol | NIST |
| ΔcH°solid | -2985.00 ± 2.00 | kJ/mol | NIST |
| EA | [1.70; 3.17] | eV |
|
| EA | 3.16 ± 0.02 | eV | NIST |
| EA | 3.17 ± 0.20 | eV | NIST |
| EA | 2.30 ± 0.30 | eV | NIST |
| EA | 1.70 ± 0.30 | eV | NIST |
| EA | 2.03 ± 0.05 | eV | NIST |
| EA | 2.88 ± 0.06 | eV | NIST |
| ΔfG° | 595.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [688.10; 714.00] | kJ/mol |
|
| ΔfH°gas | 688.10 | kJ/mol | NIST |
| ΔfH°gas | 714.00 | kJ/mol | NIST |
| ΔfH°gas | 705.00 ± 6.30 | kJ/mol | NIST |
| ΔfH°solid | [607.10; 633.00] | kJ/mol |
|
| ΔfH°solid | 607.10 | kJ/mol | NIST |
| ΔfH°solid | 633.00 ± 2.00 | kJ/mol | NIST |
| ΔfH°solid | 624.00 ± 2.00 | kJ/mol | NIST |
| ΔfusH° | 14.90 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [81.00; 81.20] | kJ/mol |
|
| ΔsubH° | 81.20 | kJ/mol | NIST |
| ΔsubH° | 81.00 | kJ/mol | NIST |
| ΔvapH° | 48.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [11.67; 11.79] | eV |
|
| IE | 11.77 ± 0.01 | eV | NIST |
| IE | 11.67 ± 0.02 | eV | NIST |
| IE | 11.79 ± 0.05 | eV | NIST |
| logPoct/wat | 0.377 | Crippen Calculated Property | |
| McVol | 96.620 | ml/mol | McGowan Calculated Property |
| Pc | 2979.54 | kPa | Joback Calculated Property |
| Tboil | 496.20 | K | NIST |
| Tc | 683.15 | K | Relay (1.0) Calculated Property |
| Tfus | 472.00 ± 0.20 | K | NIST |
Cheméo can also estimate Critical Volume, Log10 of Water solubility in mol/l 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,gas | [187.50; 203.69] | J/mol×K | [749.12; 1000.37] |
|
| Cp,gas | 187.50 | J/mol×K | 749.12 | Joback Calculated Property |
| Cp,gas | 190.62 | J/mol×K | 791.00 | Joback Calculated Property |
| Cp,gas | 193.52 | J/mol×K | 832.87 | Joback Calculated Property |
| Cp,gas | 196.25 | J/mol×K | 874.75 | Joback Calculated Property |
| Cp,gas | 198.82 | J/mol×K | 916.62 | Joback Calculated Property |
| Cp,gas | 201.29 | J/mol×K | 958.50 | Joback Calculated Property |
| Cp,gas | 203.69 | J/mol×K | 1000.37 | Joback Calculated Property |
| ΔfusH | [24.92; 24.92] | kJ/mol | [472.20; 472.20] |
|
| ΔfusH | 24.92 | kJ/mol | 472.20 | NIST |
| ΔfusH | 24.92 | kJ/mol | 472.20 | NIST |
| ΔsubH | [81.20; 84.30] | kJ/mol | [301.00; 352.00] |
|
| ΔsubH | 84.30 | kJ/mol | 301.00 | NIST |
| ΔsubH | 81.20 ± 5.90 | kJ/mol | 350.00 | NIST |
| ΔsubH | 81.40 | kJ/mol | 352.00 | NIST |
Similar Compounds
Find more compounds similar to Tetracyanoethylene.
Sources
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.
These property values are available through the Cheméo API. A free account gives you an access key.