- Formula: C9H8
- Molecular weight: 116.1598
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: KSZVOXHGCKKOLL-UHFFFAOYSA-N
- CAS Registry Number: 766-97-2
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Toluene, p-ethynyl-; p-Ethynyltoluene; p-Methylphenylacetylene; p-Tolylacetylene; 4-Methylphenylacetylene; 4-Ethynyltoluene; 4-Methylethynylbenzene; 1-Ethynyl-4-methylbenzene
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Reaction thermochemistry data
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Data compiled by: John E. Bartmess
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C9H7- + =
By formula: C9H7- + H+ = C9H8
|rH°||1555. ± 9.6||kJ/mol||G+TS||Chabinyc and Brauman, 1999||gas phase; reported as 365.2/372.8, relative to MeOH at 375.2; value altered from reference due to change in acidity scale|
|rG°||1523. ± 8.4||kJ/mol||IMRE||Chabinyc and Brauman, 1999||gas phase; reported as 365.2/372.8, relative to MeOH at 375.2; value altered from reference due to change in acidity scale|
Go To: Top, Reaction thermochemistry data, Notes
Chabinyc and Brauman, 1999
Chabinyc, M.L.; Brauman, J.I., Hydrogen bond strength and acidity. Structural and energetic correlations for acetylides and alcohols, J. Phys. Chem. A, 1999, 103, 46, 9163-9166, https://doi.org/10.1021/jp992852v . [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
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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