- InChI
- InChI=1S/C4H2N2/c5-3-1-2-4-6/h1-2H/b2-1+
- InChI Key
- KYPOHTVBFVELTG-OWOJBTEDSA-N
- Formula
- C4H2N2
- SMILES
- N#CC=CC#N
- Molecular Weight1
- 78.07
- CAS
- 764-42-1
- Other Names
-
- 2-Butenedinitrile, (E)-
- trans-1,2-Dicyanoethylene
- Fumaric nitrile
- Fumarodinitrile
- Furmaronitrile
- (E)-Butenedinitrile
- (E)-CH(CN)CH(CN)
- But-2-enedinitrile, (E)-
- (2E)-2-Butenedinitrile
- (E)-1,2-Dicyanoethylene
- 2-Butenedinitrile, (2E)-
- NSC 17555
- trans-1,2-Dicyanoethene
- 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).
- 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).
- 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°solid | -2128.00 ± 2.00 | kJ/mol | NIST |
| EA | [0.79; 1.25] | eV |
|
| EA | 1.25 ± 0.09 | eV | NIST |
| EA | 0.79 ± 0.10 | eV | NIST |
| ΔfG° | 329.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 340.00 ± 3.00 | kJ/mol | NIST |
| ΔfH°solid | 268.00 ± 2.00 | kJ/mol | NIST |
| ΔfusH° | 9.33 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [68.60; 72.00] | kJ/mol |
|
| ΔsubH° | 68.60 | kJ/mol | NIST |
| ΔsubH° | 72.00 ± 0.80 | kJ/mol | NIST |
| ΔsubH° | 72.00 | kJ/mol | NIST |
| ΔvapH° | 45.41 | kJ/mol | Joback Calculated Property |
| IE | [11.15; 11.30] | eV |
|
| IE | 11.16 ± 0.03 | eV | NIST |
| IE | 11.15 | eV | NIST |
| IE | 11.30 | eV | NIST |
| log10WS | -1.08 | Crippen Calculated Property | |
| logPoct/wat | 0.590 | Crippen Calculated Property | |
| McVol | 65.680 | ml/mol | McGowan Calculated Property |
| Pc | 3906.25 | kPa | Joback Calculated Property |
| Tboil | 459.20 | K | NIST |
| Tc | 724.59 | K | Joback Calculated Property |
| Tfus | [369.00; 369.20] | K |
|
| Tfus | 369.00 ± 3.00 | K | NIST |
| Tfus | 369.20 ± 0.80 | K | NIST |
| Vc | 0.291 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [110.69; 131.06] | J/mol×K | [499.24; 724.59] |
|
| Cp,gas | 110.69 | J/mol×K | 499.24 | Joback Calculated Property |
| Cp,gas | 114.72 | J/mol×K | 536.80 | Joback Calculated Property |
| Cp,gas | 118.47 | J/mol×K | 574.36 | Joback Calculated Property |
| Cp,gas | 121.95 | J/mol×K | 611.91 | Joback Calculated Property |
| Cp,gas | 125.20 | J/mol×K | 649.47 | Joback Calculated Property |
| Cp,gas | 128.23 | J/mol×K | 687.03 | Joback Calculated Property |
| Cp,gas | 131.06 | J/mol×K | 724.59 | Joback Calculated Property |
| ΔsubH | [69.60; 72.00] | kJ/mol | [259.50; 263.00] |
|
| ΔsubH | 69.60 | kJ/mol | 259.50 | NIST |
| ΔsubH | 72.00 ± 0.80 | kJ/mol | 263.00 | NIST |
Similar Compounds
Find more compounds similar to Fumaronitrile.
Sources
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