- InChI
- InChI=1S/C4N2/c5-3-1-2-4-6
- InChI Key
- ZEHZNAXXOOYTJM-UHFFFAOYSA-N
- Formula
- C4N2
- SMILES
- N#CC#CC#N
- Molecular Weight1
- 76.06
- CAS
- 1071-98-3
- Other Names
-
- Acetylenedicarbonitrile
- Dicyanoacetylene
- 1,2-Dicyanoacetylene
- NCC«equiv»CCN
- Dicyanoethyne
- Sous-azote de carbone
- C4N2
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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 standard conditions (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).
- 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).
- 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 |
|---|---|---|---|
| ΔcH°liquid | -2074.40 ± 1.30 | kJ/mol | NIST |
| ΔcH°solid | -2156.00 | kJ/mol | NIST |
| ΔfG° | 451.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 529.30 | kJ/mol | NIST |
| ΔfH°liquid | 500.40 | kJ/mol | NIST |
| ΔfusH° | 12.25 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 44.25 | kJ/mol | NIST |
| ΔvapH° | 28.90 | kJ/mol | NIST |
| IE | [11.40; 11.84] | eV |
|
| IE | 11.81 ± 0.02 | eV | NIST |
| IE | 11.81 ± 0.01 | eV | NIST |
| IE | 11.40 ± 0.20 | eV | NIST |
| IE | 11.84 | eV | NIST |
| IE | 11.84 | eV | NIST |
| log10WS | -1.02 | Crippen Calculated Property | |
| logPoct/wat | 0.037 | Crippen Calculated Property | |
| McVol | 61.380 | ml/mol | McGowan Calculated Property |
| Pc | 4492.23 | kPa | Joback Calculated Property |
| Tboil | 349.70 | K | NIST |
| Tc | 749.07 | K | Joback Calculated Property |
| Tfus | 370.92 | K | Joback Calculated Property |
| Vc | 0.274 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [93.31; 107.33] | J/mol×K | [504.08; 749.07] |
|
| Cp,gas | 93.31 | J/mol×K | 504.08 | Joback Calculated Property |
| Cp,gas | 95.94 | J/mol×K | 544.91 | Joback Calculated Property |
| Cp,gas | 98.44 | J/mol×K | 585.74 | Joback Calculated Property |
| Cp,gas | 100.84 | J/mol×K | 626.58 | Joback Calculated Property |
| Cp,gas | 103.11 | J/mol×K | 667.41 | Joback Calculated Property |
| Cp,gas | 105.28 | J/mol×K | 708.24 | Joback Calculated Property |
| Cp,gas | 107.33 | J/mol×K | 749.07 | Joback Calculated Property |
| ΔsubH | 44.30 | kJ/mol | 268.00 | NIST |
| ΔvapH | 27.30 | kJ/mol | 322.50 | NIST |
Similar Compounds
Find more compounds similar to 2-Butynedinitrile.
Sources
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