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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
You are here: Experimental > One molecule all properties |
Other names |
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2-Butenedinitrile, (E)-; (E)-Butenedinitrile; (E)-CH(CN)CH(CN); Fumaric Nitrile; Fumarodinitrile; Fumaronitrile; Furmaronitrile; trans-1,2-Dicyanoethylene; |
INChI | INChIKey | SMILES | IUPAC name |
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InChI=1S/C4H2N2/c5-3-1-2-4-6/h1-2H/b2-1+ | KYPOHTVBFVELTG-OWOJBTEDSA-N | N#C/C=C/C#N | Fumaronitrile |
State | Conformation |
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1Ag | C2H |
Property | Value | Uncertainty | units | Reference | Comment |
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Hfg(298.15K) ![]() |
340.00 | 3.00 | kJ mol-1 | webbook | |
Hfg(0K) ![]() |
3.00 | kJ mol-1 | webbook | ||
Entropy (298.15K) ![]() |
J K-1 mol-1 | ||||
Integrated Heat Capacity (0 to 298.15K) ![]() |
kJ mol-1 |