- Formula: C5H9N
- Molecular weight: 83.1317
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: JAMNHZBIQDNHMM-UHFFFAOYSA-N
- CAS Registry Number: 630-18-2
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Pivalonitrile; tert-Butyl cyanide; tert-Butylnitrile; Trimethylacetonitrile; 2,2-Dimethylpropionitrile; 2,2-Dimethylpropanenitrile; (CH3)3C-CN; 2-Cyano-2-methylpropane; NSC 890
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Reaction thermochemistry data
Go To: Top, References, Notes
Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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+ = ( )
By formula: Cl- + C5H9N = (Cl- C5H9N)
|rH°||18.5 ± 1.0||kcal/mol||TDAs||Li, Ross, et al., 1996||gas phase; B|
|rG°||11.05 ± 0.20||kcal/mol||TDAs||Li, Ross, et al., 1996||gas phase; B|
C5H10N+ + = (C5H10N+ )
By formula: C5H10N+ + C5H9N = (C5H10N+ C5H9N)
|rH°||30.2||kcal/mol||PHPMS||Speller and Meot-Ner (Mautner), 1985||gas phase; M|
|rS°||26.4||cal/mol*K||PHPMS||Speller and Meot-Ner (Mautner), 1985||gas phase; M|
Go To: Top, Reaction thermochemistry data, Notes
Li, Ross, et al., 1996
Li, C.; Ross, P.; Szulejko, J.; McMahon, T.B., High-Pressure Mass Spectrometric Investigations of the Potential Energy Surfaces of Gas-Phase Sn2 Reactions., J. Am. Chem. Soc., 1996, 118, 39, 9360, https://doi.org/10.1021/ja960565o . [all data]
Speller and Meot-Ner (Mautner), 1985
Speller, C.V.; Meot-Ner (Mautner), M., The Ionic Hydrogen Bond and Ion Solvation. 3. Bonds Involving Cyanides. Correlations with Proton Affinites, J. Phys. Chem., 1985, 81, 24, 5217, https://doi.org/10.1021/j100270a020 . [all data]
Go To: Top, Reaction thermochemistry data, References
- Symbols used in this document:
rG° Free energy of reaction at standard conditions rH° Enthalpy of reaction at standard conditions rS° Entropy of reaction at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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