Carbonocyanidic acid, ethyl ester
- Formula: C4H5NO2
- Molecular weight: 99.0880
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: MSMGXWFHBSCQFB-UHFFFAOYSA-N
- CAS Registry Number: 623-49-4
- Chemical structure:
This structure is also available as a 2d Mol file
- Other names: Formic acid, cyano-, ethyl ester; Ethyl cyanoformate; C2H5OC(O)CN; Cyanoformic acid, ethyl ester; NCCOOC2H5
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Ion clustering data
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Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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CN- + = (CN- )
By formula: CN- + C4H5NO2 = (CN- C4H5NO2)
|rH°||73. ± 15.||kJ/mol||IMRE||Larson and McMahon, 1987||gas phase; B,M|
|rS°||103.||J/mol*K||N/A||Larson and McMahon, 1987||gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M|
|rG°||41.8 ± 9.6||kJ/mol||IMRE||Larson and McMahon, 1987||gas phase; B,M|
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Larson and McMahon, 1987
Larson, J.W.; McMahon, T.B., Hydrogen bonding in gas phase anions. The energetics of interaction between cyanide ion and bronsted acids, J. Am. Chem. Soc., 1987, 109, 6230. [all data]
Payzant, Yamdagni, et al., 1971
Payzant, J.D.; Yamdagni, R.; Kebarle, P., Hydration of CN-, NO2-, NO3-, and HO- in the gas phase, Can. J. Chem., 1971, 49, 3308. [all data]
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- 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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