|   | Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | 
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| index | Species | CAS number | Name | Relative experimental enthalpy (kJ mol-1) | sketch | 
|---|---|---|---|---|---|
| a | CH3CHFCH2CH3 | 359013 | 2-fluorobutane |  | |
| b | C4H9F | 2366521 | 1-fluorobutane |  |