| Reported ΔfH˚ (298) kcal∙mol−1 |
|
| −155.3 ± 1.7 |
|
| Standard Deviation over rxns |
|
| ±0.1 |
|
| CH3CF2OH + CH4 = CH3CH2OH + CH2F2 −353.462472 −40.447961 −154.926666 −238.938973 −17.81 −56.21 −108.07 | 0.044794 | 28.10864 | −174.6 | ±1.6 |
| CH3CF2OH + CH3CH2CH3 = CH3CH2OH + CH3CH2CHF2 −353.462472 −118.990915 −154.926666 −317.498882 −25.02 −56.21 −125.82 | 0.027839 | 17.46922 | −174.5 | ±1.5 |
| Reported ΔfH˚ (298) kcal∙mol−1 |
|
| −174.5 ± 1.5 |
|
| Standard Deviation over rxns |
|
| ±0.1 |
|
| CH2FC•FOH + CH4 = CH3CH2O• + CH2F2 −352.776406 −40.447961 −154.268107 −238.938973 −17.81 −3.01 −108.07 | 0.017287 | 10.84775 | −104.1 | ±1.5 |
| CH2FC•FOH + CH3CH2CH3 = CH3CH2O• + CH3CH2CHF2 −352.776406 −118.990915 −154.268107 −317.498882 −25.02 −3.01 −125.82 | 0.000332 | 0.208333 | −104.0 | ±1.4 |
| Reported ΔfH˚ (298) kcal∙mol−1 |
|
| −104.1 ± 1.5 |
|
| Standard Deviation over rxns |
|
| ±0.1 |
|
| C•HFCFHOH + CH4 = CH3O• + CH3CHF2 −352.778474 −40.447961 −114.989112 −278.225303 −17.81 5.15 −120.87 | 0.01202 | 7.542658 | −105.5 | ±1.7 |
| C•HFCFHOH + CH3CH3 = CH3O• + CH3CH2CHF2 −352.778474 −79.717768 −114.989112 −317.498882 −20.05 5.15 −125.82 | 0.008248 | 5.175694 | −105.8 | ±1.8 |
| Reported ΔfH˚ (298) kcal∙mol−1 |
|
| −105.6 ± 1.7 |
|
| Standard Deviation over rxns |
|
| ±0.2 |
|
| CHF2C•HOH + CH4 = CH3O• + CH3CHF2 −352.773245 −40.447961 −114.989112 −278.225303 −17.81 5.15 −120.87 | 0.006791 | 4.261414 | −102.5 | ±1.7 |
| CHF2C•HOH + CH3CH3 = CH3O• + CH3CH2CHF2 −352.773245 −79.717768 −114.989112 −317.498882 −20.05 5.15 −125.82 | 0.003019 | 1.89445 | −102.2 | ±1.8 |
| Reported ΔfH˚ (298) kcal∙mol−1 |
|
| −102.3 ± 1.7 |
|
| Standard Deviation over rxns |
|
| ±0.2 |
|
| CH2FCHFO• + CH4 = CH3CH2O• + CH2F2 −352.768218 −40.447961 −154.268107 −238.938973 −17.81 −3.01 −108.07 | 0.009099 | 5.709704 | −99.0 | ±1.5 |
| CH2FCHFO• + CH3CH3 = CH3CH2O• + CH3CHF2 −352.768218 −79.717768 −154.268107 −278.225303 −20.05 −3.01 −120.87 | −0.00742 | −4.65863 | −99.2 | ±1.7 |
| Reported ΔfH˚ (298) kcal∙mol−1 |
|
| −99.1 ± 1.6 |
|
| Standard Deviation over rxns |
|
| ±0.1 |
|
| C•F2CH2OH + CH4 = CH3CH2O• + CH2F2 −352.773245 −40.447961 −154.268107 −238.938973 −17.81 −3.01 −108.07 | 0.014126 | 8.864192 | −102.1 | ±1.5 |