Selected ATcT [1, 2] enthalpy of formation based on version 1.176 of the Thermochemical Network [3]This version of ATcT results[3] was generated by additional expansion of version 1.172 to include species related to Criegee intermediates that are involved in several ongoing studies[4]. |
||||||||
Carbon | ||||||||
Formula: C (graphite) | ||||||||
CAS RN: 7440-44-0 | ||||||||
ATcT ID: 7440-44-0*500 | ||||||||
SMILES: [C] | ||||||||
InChI: InChI=1S/C | ||||||||
InChIKey: OKTJSMMVPCPJKN-UHFFFAOYSA-N | ||||||||
Hills Formula: C1 | ||||||||
2D Image: | ||||||||
Aliases: C; Carbon; Carbon atom; Atomic carbon; Carbon radical; Monocarbon; C-atom; C g; C gas; C g, triplet; C g, triplet only; C g, singlet; C g, singlet only; C g,triplet; C g,triplet only; C g,singlet; C g,singlet only | ||||||||
Relative Molecular Mass: 12.01070 ± 0.00080 | ||||||||
| ||||||||
3D Image of C (graphite) | ||||||||
spin ON spin OFF | ||||||||
1 |
B. Ruscic, R. E. Pinzon, M. L. Morton, G. von Laszewski, S. Bittner, S. G. Nijsure, K. A. Amin, M. Minkoff, and A. F. Wagner, Introduction to Active Thermochemical Tables: Several "Key" Enthalpies of Formation Revisited. J. Phys. Chem. A 108, 9979-9997 (2004) [DOI: 10.1021/jp047912y] |
|
2 |
B. Ruscic, R. E. Pinzon, G. von Laszewski, D. Kodeboyina, A. Burcat, D. Leahy, D. Montoya, and A. F. Wagner, Active Thermochemical Tables: Thermochemistry for the 21st Century. J. Phys. Conf. Ser. 16, 561-570 (2005) [DOI: 10.1088/1742-6596/16/1/078] |
|
3 |
B. Ruscic and D. H. Bross, Active Thermochemical Tables (ATcT) values based on ver. 1.176 of the Thermochemical Network (2024); available at ATcT.anl.gov |
|
4 |
T. L. Nguyen et al, ongoing studies (2024) |
|
5 |
B. Ruscic, Uncertainty Quantification in Thermochemistry, Benchmarking Electronic Structure Computations, and Active Thermochemical Tables. Int. J. Quantum Chem. 114, 1097-1101 (2014) [DOI: 10.1002/qua.24605] |
|
6 |
B. Ruscic and D. H. Bross, Thermochemistry Computer Aided Chem. Eng. 45, 3-114 (2019) [DOI: 10.1016/B978-0-444-64087-1.00001-2] |