Selected ATcT [1, 2] enthalpy of formation based on version 1.122p of the Thermochemical Network [3]
This version of ATcT results was generated from an expansion of version 1.122o [4] to include an updated enthalpy of formation for Hydrazine. [5].| Species Name | Formula | Image | ΔfH°(0 K) | ΔfH°(298.15 K) | Uncertainty | Units | Relative Molecular Mass |
ATcT ID |
|---|---|---|---|---|---|---|---|---|
| Carbon anion | C- (g) | ![[C-]](../images/363.png) | 589.620 | 594.766 | ± 0.047 | kJ/mol | 12.01125 ± 0.00080 | 14337-00-9*0 |
Representative Geometry of C- (g)
Top contributors to the provenance of ΔfH° of C- (g)
The 20 contributors listed below account only for 32.5% of the provenance of ΔfH° of C- (g).A total of 946 contributors would be needed to account for 90% of the provenance.
Please note: The list is limited to 20 most important contributors or, if less, a number sufficient to account for 90% of the provenance. The Reference acts as a further link to the relevant references and notes for the measurement. The Measured Quantity is normaly given in the original units; in cases where we have reinterpreted the original measurement, the listed value may differ from that given by the authors. The quoted uncertainty is the a priori uncertainty used as input when constructing the initial Thermochemical Network, and corresponds either to the value proposed by the original authors or to our estimate; if an additional multiplier is given in parentheses immediately after the prior uncertainty, it corresponds to the factor by which the prior uncertainty needed to be multiplied during the ATcT analysis in order to make that particular measurement consistent with the prevailing knowledge contained in the Thermochemical Network.
| Contribution (%) | TN ID | Reaction | Measured Quantity | Reference |
|---|---|---|---|---|
| 8.0 | 1810.2 | CO (g) → C+ (g) + O (g) | ΔrH°(0 K) = 22.3713 ± 0.0015 eV | Ng 2007 |
| 4.0 | 1888.1 | 2 H2 (g) + C (graphite) → CH4 (g) | ΔrG°(1165 K) = 37.521 ± 0.068 kJ/mol | Smith 1946, note COf, 3rd Law |
| 3.9 | 118.2 | 1/2 O2 (g) + H2 (g) → H2O (cr,l) | ΔrH°(298.15 K) = -285.8261 ± 0.040 kJ/mol | Rossini 1939, Rossini 1931, Rossini 1931b, note H2Oa, Rossini 1930 |
| 2.0 | 1818.5 | C (graphite) + CO2 (g) → 2 CO (g) | ΔrG°(1165 K) = -33.545 ± 0.058 kJ/mol | Smith 1946, note COf, 3rd Law |
| 1.8 | 1764.7 | C (graphite) + O2 (g) → CO2 (g) | ΔrH°(298.15 K) = -393.464 ± 0.024 kJ/mol | Hawtin 1966, note CO2e |
| 1.6 | 1798.5 | CO (g) → C (g) + O (g) | ΔrH°(0 K) = 89632 ± 27 cm-1 | Ruscic 2003 |
| 1.5 | 4960.7 | C6H6 (g) → 6 C (g) + 6 H (g) | ΔrH°(0 K) = 5463.0 ± 1.8 kJ/mol | Harding 2011 |
| 1.4 | 1796.3 | CO (g) → C (g) + O (g) | ΔrH°(0 K) = 89620 ± 29 cm-1 | Douglas 1955, Schmid 1935, note COj |
| 1.1 | 2033.1 | CH2CH2 (g) + 3 O2 (g) → 2 CO2 (g) + 2 H2O (cr,l) | ΔrH°(298.15 K) = -1411.18 ± 0.30 kJ/mol | Rossini 1937 |
| 0.7 | 4960.4 | C6H6 (g) → 6 C (g) + 6 H (g) | ΔrH°(0 K) = 1306.17 ± 0.60 kcal/mol | Karton 2009a |
| 0.7 | 1764.5 | C (graphite) + O2 (g) → CO2 (g) | ΔrH°(298.15 K) = -393.468 ± 0.038 kJ/mol | Fraser 1952, note CO2f |
| 0.7 | 1764.4 | C (graphite) + O2 (g) → CO2 (g) | ΔrH°(298.15 K) = -393.462 ± 0.038 kJ/mol | Lewis 1965, note CO2d |
| 0.6 | 2789.1 | CH3CCH (g) + 4 O2 (g) → 3 CO2 (g) + 2 H2O (cr,l) | ΔrH°(298.15 K) = -463.131 ± 0.204 kcal/mol | Wagman 1945, Wagman 1945a |
| 0.6 | 1760.1 | C- (g) → C (g) | ΔrH°(0 K) = 1.262119 ± 0.000040 eV | Scheer 1998, note unc |
| 0.6 | 4973.10 | C6H5 (g) → 6 C (g) + 5 H (g) | ΔrH°(0 K) = 1195.15 ± 0.60 kcal/mol | Karton 2009a |
| 0.6 | 1768.7 | CO2 (g) → C (g) + 2 O (g) | ΔrH°(0 K) = 1598.16 ± 0.56 kJ/mol | Harding 2008 |
| 0.5 | 1900.13 | CH3 (g) → C (g) + 3 H (g) | ΔrH°(0 K) = 289.11 ± 0.10 kcal/mol | Feller 2016, note unc2 |
| 0.5 | 1801.7 | CO (g) → C (g) + O (g) | ΔrH°(0 K) = 1071.94 ± 0.56 kJ/mol | Harding 2008 |
| 0.5 | 1769.1 | CO2 (g) → C (g) + 2 O (g) | ΔrH°(0 K) = 1598.6 ± 0.6 kJ/mol | Ruscic 2003 |
| 0.5 | 1939.1 | CH3 (g) → CH2 (g, triplet) + H (g) | ΔrH°(0 K) = 109.26 ± 0.08 kcal/mol | Feller 2016, est unc, note unc2 |
Top 10 species with enthalpies of formation correlated to the ΔfH° of C- (g)
The correlation coefficient is a number from -1 to 1, with 1 representing perfectly correlated species, -1 representing perfectly anti-correlated species, and 0 representing perfectly uncorrelated species.
| Correlation Coefficent (%) | Species Name | Formula | Image | ΔfH°(0 K) | ΔfH°(298.15 K) | Uncertainty | Units | Relative Molecular Mass | ATcT ID |
|---|---|---|---|---|---|---|---|---|---|
| 99.6 | Carbon atom | C (g) | ![[C]](../images/16.png) | 711.397 | 716.882 | ± 0.047 | kJ/mol | 12.01070 ± 0.00080 | 7440-44-0*0 |
| 99.6 | Carbon atom | C (g, triplet) | ![[C]](../images/1037.png) | 711.397 | 716.882 | ± 0.047 | kJ/mol | 12.01070 ± 0.00080 | 7440-44-0*1 |
| 99.6 | Carbon atom | C (g, singlet) | ![[C]](../images/1090.png) | 833.328 | 838.474 | ± 0.047 | kJ/mol | 12.01070 ± 0.00080 | 7440-44-0*2 |
| 99.6 | Carbon atom | C (g, quintuplet) | ![[C]](../images/1654.png) | 1114.959 | 1120.106 | ± 0.047 | kJ/mol | 12.01070 ± 0.00080 | 7440-44-0*3 |
| 99.6 | Carbon cation | C+ (g) | ![[C+]](../images/420.png) | 1797.849 | 1803.447 | ± 0.047 | kJ/mol | 12.01015 ± 0.00080 | 14067-05-1*0 |
| 87.0 | Methyliumylidene | [CH]+ (g) | ![[CH+]](../images/423.png) | 1619.754 | 1623.097 | ± 0.055 | kJ/mol | 13.01809 ± 0.00080 | 24361-82-8*0 |
| 62.2 | Acetylene | HCCH (g) |  | 228.82 | 228.26 | ± 0.13 | kJ/mol | 26.0373 ± 0.0016 | 74-86-2*0 |
| 62.2 | Acetylene cation | [HCCH]+ (g) | ![C#[CH+]](../images/501.png) | 1328.83 | 1328.17 | ± 0.13 | kJ/mol | 26.0367 ± 0.0016 | 25641-79-6*0 |
| 58.5 | Ethynyl | CCH (g) | ![C#[C]](../images/166.png) | 563.87 | 567.98 | ± 0.14 | kJ/mol | 25.0293 ± 0.0016 | 2122-48-7*0 |
| 50.8 | Ethynylium | [CCH]+ (g) | ![C#[C+]](../images/367.png) | 1687.58 | 1690.91 | ± 0.16 | kJ/mol | 25.0288 ± 0.0016 | 16456-59-0*0 |
Most Influential reactions involving C- (g)
Please note: The list, which is based on a hat (projection) matrix analysis, is limited to no more than 20 largest influences.| Influence Coefficient | TN ID | Reaction | Measured Quantity | Reference |
|---|---|---|---|---|
| 0.990 | 1760.1 | C- (g) → C (g) | ΔrH°(0 K) = 1.262119 ± 0.000040 eV | Scheer 1998, note unc |
| 0.678 | 1960.1 | [CH]- (g) → C- (g) + H (g) | ΔrH°(0 K) = 78.83 ± 0.06 kcal/mol | Feller 2016, note unc2 |
| 0.123 | 1943.1 | [CH2]- (g) → C- (g) + 2 H (g) | ΔrH°(0 K) = 165.69 ± 0.12 kcal/mol | Feller 2016, note unc2 |
| 0.084 | 1908.1 | [CH3]- (g) → C- (g) + 3 H (g) | ΔrH°(0 K) = 262.0 ± 0.2 kcal/mol | Feller 2016, note unc2 |
| 0.003 | 1831.1 | [C2]- (g) → C (g) + C- (g) | ΔrH°(0 K) = 188.7 ± 1.5 (×1.091) kcal/mol | Sordo 2001, Chan 2004 |
| 0.002 | 1760.2 | C- (g) → C (g) | ΔrH°(0 K) = 1.2629 ± 0.0003 (×2.594) eV | Feldmann 1977 |
| 0.002 | 1760.3 | C- (g) → C (g) | ΔrH°(0 K) = 1.2621 ± 0.0008 eV | Feller 2016, note unc2 |
| 0.002 | 1760.4 | C- (g) → C (g) | ΔrH°(0 K) = 1.26273 ± 0.00088 eV | Klopper 2010 |
| 0.001 | 1760.5 | C- (g) → C (g) | ΔrH°(0 K) = 1.26288 ± 0.00100 eV | Oliveira 1999, Martin 1998a, est unc |
| 0.000 | 1760.6 | C- (g) → C (g) | ΔrH°(0 K) = 1.265 ± 0.003 eV | Cleland 2011 |
| 0.000 | 2283.1 | [CN]- (g) → C- (g) + N (g) | ΔrH°(0 K) = 10.28 ± 0.1 eV | Polak 2002, est unc |
| 0.000 | 2039.1 | CH2CH2 (g) → [CH4]+ (g) + C- (g) | ΔrH°(0 K) = 17.40 ± 0.16 eV | Plessis 1987 |
| 0.000 | 2283.2 | [CN]- (g) → C- (g) + N (g) | ΔrH°(0 K) = 10.17 ± 0.1 (×1.576) eV | Polak 2002, est unc |
| 0.000 | 1760.7 | C- (g) → C (g) | ΔrH°(0 K) = 1.262 ± 0.010 eV | Gdanitz 1999, est unc |
| 0.000 | 1760.13 | C- (g) → C (g) | ΔrH°(0 K) = 1.252 ± 0.050 eV | Ruscic W1RO |
| 0.000 | 1760.9 | C- (g) → C (g) | ΔrH°(0 K) = 1.259 ± 0.050 eV | Gutsev 1998, est unc |
| 0.000 | 1760.12 | C- (g) → C (g) | ΔrH°(0 K) = 1.222 ± 0.061 eV | Ruscic G4 |
| 0.000 | 1760.10 | C- (g) → C (g) | ΔrH°(0 K) = 1.210 ± 0.075 eV | Wijesundera 1998, est unc |
| 0.000 | 1760.11 | C- (g) → C (g) | ΔrH°(0 K) = 1.246 ± 0.080 eV | Kendall 1992, est unc |
| 0.000 | 1760.8 | C- (g) → C (g) | ΔrH°(0 K) = 1.236 ± 0.15 eV | Noga 2000, est unc |
| 1 |
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Note that an uncertainty of ± 0.000 kJ/mol indicates that the estimated uncertainty is < ± 0.0005 kJ/mol.
The find function is based on the complete Species Dictionary entries for the appropriate version of the ATcT TN.
The molecule images are rendered by Indigo-depict.
The XYZ renderings are based on Jmol: an open-source Java viewer for chemical structures in 3D. http://www.jmol.org/.