| C•F2CH2OH + CH3CH3 = CH3CH2O• + CH3CHF2 −352.773245 −79.717768 −154.268107 −278.225303 −20.05 −3.01 −120.87 | −0.0024 | −1.50414 | −102.3 | ±1.7 |
| Reported ΔfH˚ (298) kcal∙mol−1 |
|
| −102.2 ± 1.6 |
|
| Standard Deviation over rxns |
|
| ±0.2 |
|
| CHF2CH2O• + CH4 = CH3CH2O• + CH2F2 −352.767873 −40.447961 −154.268107 −238.938973 −17.81 −3.01 −108.07 | 0.008754 | 5.493214 | −98.8 | ±1.5 |
| CHF2CH2O• + CH3CH3 = CH3CH2O• + CH3CHF2 −352.767873 −79.717768 −154.268107 −278.225303 −20.05 −3.01 −120.87 | −0.00777 | −4.87512 | −99.0 | 1.7 |
| Reported ΔfH˚ (298) kcal∙mol−1 |
|
| −98.9 ± 1.6 |
|
| Standard Deviation over rxns |
|
| ±0.2 |
|
| CH2•CF2OH + CH4 = CH3O• + CH3CHF2 −352.800434 −40.447961 −114.989112 −278.225303 −17.81 5.15 −120.87 | 0.03398 | 21.32276 | −119.2 | ±1.7 |
| CH2•CF2OH + CH3CH3 = CH3O• + CH3CH2CHF2 −352.800434 −79.717768 −114.989112 317.498882 −20.05 5.15 −125.82 | 0.030208 | 18.95579 | −119.6 | ±1.8 |
| Reported ΔfH˚ (298) kcal∙mol−1 |
|
| −119.4 ± 1.7 |
|
| Standard Deviation over rxns |
|
| ±0.2 |
|
| CH3CF2O• + CH4 = CH3CH2O• + CH2F2 −352.786755 − 40.447961 −154.268107 −238.938973 −17.81 5.15 −108.07 | 0.027636 | 17.34184 | −110.6 | ±1.5 |
| CH3CF2O• + CH3CH2CH3 = CH3CH2O• + CH3CH2CHF2 −352.786755 −118.990915 −154.268107 −317.498882 −25.02 5.15 −125.82 | 0.010681 | 6.702424 | −110.5 | ±1.8 |
| Reported ΔfH˚ (298) kcal∙mol−1 |
|
| −110.6 ± 1.6 |
|
| Standard Deviation over rxns |
|
| ±0.1 |
|