Hydrogen cyanide
- Formula: CHN
- Molecular weight: 27.0253
- IUPAC Standard InChIKey: LELOWRISYMNNSU-UHFFFAOYSA-N
- CAS Registry Number: 74-90-8
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Hydrocyanic acid; AC; Blausaeure (German); Carbon hydride nitride (CHN); Formic anammonide; Formonitrile; HCN; Prussic Acid; Cyclon; Acide cyanhydrique; Acido cianidrico; Aero Liquid HCN; Blausaeure; Blauwzuur; Cyaanwaterstof; Cyanwasserstoff; Cyclone B; Cyjanowodor; Evercyn; NA 1051; Prussic acid, unstabilized; Rcra waste number P063; UN 1051; Zaclondiscoids; Carbon hydride nitride; Zootic acid; Agent AC; Nitrilomethane
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Reaction thermochemistry data
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Reactions 1 to 50
By formula: CN- + CHN = (CN- • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 91. ± 15. | kJ/mol | IMRE | Larson and McMahon, 1987 | gas phase; B,M |
ΔrH° | 83.7 ± 8.4 | kJ/mol | Est | Larson and McMahon, 1984 | gas phase; B |
ΔrH° | 86.6 | kJ/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
ΔrH° | 86.6 | kJ/mol | PHPMS | Meot-ner, 1988 | gas phase; M,B,B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 86.2 | J/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
ΔrS° | 86.2 | J/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
ΔrS° | 86.2 | J/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
ΔrS° | 113. | J/mol*K | N/A | Larson and McMahon, 1987 | gas phase; switching reaction,Thermochemical ladder(H2O), Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 60.7 ± 4.2 | kJ/mol | TDAs | Meot-ner, 1988 | gas phase; B |
ΔrG° | 57.3 ± 9.6 | kJ/mol | IMRE | Larson and McMahon, 1987 | gas phase; B,M |
ΔrG° | 60.7 ± 6.7 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: F- + CHN = (F- • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 165. ± 8.4 | kJ/mol | IMRE | Larson and McMahon, 1983 | gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92.9 | J/mol*K | N/A | Larson and McMahon, 1983 | gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 138. ± 8.4 | kJ/mol | IMRE | Larson and McMahon, 1983 | gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B,M |
By formula: Li+ + CHN = (Li+ • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 152. | kJ/mol | ICR | Woodin and Beauchamp, 1978 | gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M |
ΔrH° | 150. | kJ/mol | ICR | Staley and Beauchamp, 1975 | gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 100. | J/mol*K | N/A | Woodin and Beauchamp, 1978 | gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 120. | kJ/mol | ICR | Woodin and Beauchamp, 1978 | gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M |
By formula: Cl- + CHN = (Cl- • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 91.2 ± 4.2 | kJ/mol | TDAs | Meot-ner, 1988 | gas phase; B,B,M |
ΔrH° | 87.9 ± 8.4 | kJ/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 79.1 | J/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
ΔrS° | 99.2 | J/mol*K | N/A | Larson and McMahon, 1984, 3 | gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 67.8 ± 6.7 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
ΔrG° | 67.4 ± 4.2 | kJ/mol | TDAs | Meot-ner, 1988 | gas phase; B |
ΔrG° | 58.2 ± 8.4 | kJ/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
CN- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1464. ± 4.2 | kJ/mol | CIDT | Akin and Ervin, 2006 | gas phase; B |
ΔrH° | 1466.5 ± 0.71 | kJ/mol | D-EA | Bradforth, Kim, et al., 1993 | gas phase; B |
ΔrH° | 1469. ± 8.8 | kJ/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1433. ± 4.6 | kJ/mol | H-TS | Akin and Ervin, 2006 | gas phase; B |
ΔrG° | 1435.8 ± 1.1 | kJ/mol | H-TS | Bradforth, Kim, et al., 1993 | gas phase; B |
ΔrG° | 1438. ± 8.4 | kJ/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
By formula: CHO2- + CHN = (CHO2- • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 92.0 | kJ/mol | PHPMS | Meot-ner, 1988 | gas phase; M,B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92. | J/mol*K | N/A | Meot-ner, Cybulski, et al., 1988 | gas phase; Entropy change calculated or estimated; M |
ΔrS° | 89.5 | J/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 65.3 ± 6.7 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; Entropy of 22.0 eu assumed.; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
49.4 | 473. | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; Entropy change calculated or estimated; M |
By formula: (CHO2- • CHN) + CHN = (CHO2- • 2CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 74.5 | kJ/mol | PHPMS | Meot-ner, 1988 | gas phase; M,B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92. | J/mol*K | N/A | Meot-ner, Cybulski, et al., 1988 | gas phase; Entropy change calculated or estimated; M |
ΔrS° | 98.7 | J/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 44.77 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; Entropy estimated; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
40. | 350. | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; Entropy change calculated or estimated; M |
By formula: (H4N+ • 3CHN • H3N) + CHN = (H4N+ • 4CHN • H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 36. | kJ/mol | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase; Entropy change calculated or estimated, T = 392 in paper is error; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84. | J/mol*K | N/A | Deakyne, Knuth, et al., 1994 | gas phase; Entropy change calculated or estimated, T = 392 in paper is error; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
11. | 292. | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase; Entropy change calculated or estimated, T = 392 in paper is error; M |
By formula: (Cl- • 8CHN) + CHN = (Cl- • 9CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 31. ± 4.2 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; Entropy estimated; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 100. | J/mol*K | N/A | Meot-ner, Cybulski, et al., 1988 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.42 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; Entropy estimated; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
13. | 171. | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; Entropy change calculated or estimated; M |
By formula: (C2H3O2- • 4CHN) + CHN = (C2H3O2- • 5CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 41. ± 4.2 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; Entropy estimated; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 100. | J/mol*K | N/A | Meot-ner, Cybulski, et al., 1988 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 10.0 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; Entropy estimated; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
19. | 213. | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; Entropy change calculated or estimated; M |
By formula: (CN- • 6CHN) + CHN = (CN- • 7CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 32. ± 4.2 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; Entropy estimated; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84. | J/mol*K | N/A | Meot-ner, Cybulski, et al., 1988 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.69 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; Entropy estimated; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
13. | 238. | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; Entropy change calculated or estimated; M |
By formula: (CN- • 2CHN) + CHN = (CN- • 3CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 52.7 | kJ/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
ΔrH° | 52.7 | kJ/mol | PHPMS | Meot-ner, 1988 | gas phase; M,B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 88.7 | J/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
ΔrS° | 88.7 | J/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
ΔrS° | 88.7 | J/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 26.4 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (CN- • 3CHN) + CHN = (CN- • 4CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 45.6 | kJ/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
ΔrH° | 45.6 | kJ/mol | PHPMS | Meot-ner, 1988 | gas phase; M,B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 104. | J/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
ΔrS° | 104. | J/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
ΔrS° | 104. | J/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 14.6 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (CN- • CHN) + CHN = (CN- • 2CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 68.6 | kJ/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
ΔrH° | 68.6 | kJ/mol | PHPMS | Meot-ner, 1988 | gas phase; M,B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 91.2 | J/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
ΔrS° | 91.2 | J/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
ΔrS° | 91.2 | J/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 41.4 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: CH2N+ + CHN = (CH2N+ • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 109. | kJ/mol | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; ΔrH, ΔrS too small compared with other nitrile dimers; M |
ΔrH° | 126. | kJ/mol | PHPMS | Meot-Ner (Mautner), 1978 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96.2 | J/mol*K | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; ΔrH, ΔrS too small compared with other nitrile dimers; M |
ΔrS° | 130. | J/mol*K | PHPMS | Meot-Ner (Mautner), 1978 | gas phase; M |
By formula: (CN- • H2O • 2CHN) + H2O = (CN- • 2H2O • 2CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 37. ± 4.2 | kJ/mol | TDAs | Meot-Ner (Mautner) M. and Speller, 1989 | gas phase; Entropy estimated; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84. | J/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 12. ± 5.9 | kJ/mol | TDAs | Meot-Ner (Mautner) M. and Speller, 1989 | gas phase; Entropy estimated; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
15. | 262. | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
By formula: (CN- • 3CHN) + H2O = (CN- • H2O • 3CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 39. ± 4.2 | kJ/mol | TDAs | Meot-Ner (Mautner) M. and Speller, 1989 | gas phase; Entropy estimated; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84. | J/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 14. ± 5.9 | kJ/mol | TDAs | Meot-Ner (Mautner) M. and Speller, 1989 | gas phase; Entropy estimated; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
18. | 262. | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
(CH2N+ • • ) + = (CH2N+ • 2 • )
By formula: (CH2N+ • CHN • H2O) + CHN = (CH2N+ • 2CHN • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 65.3 | kJ/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 100. | J/mol*K | N/A | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 35. | kJ/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n, Entropy change calculated or estimated; M |
By formula: (H4N+ • H3N • 2CHN) + H3N = (H4N+ • 2H3N • 2CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 54.0 | kJ/mol | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84. | J/mol*K | N/A | Deakyne, Knuth, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
28. | 315. | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
By formula: (H4N+ • CHN • 2H3N) + CHN = (H4N+ • 2CHN • 2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 46.9 | kJ/mol | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84. | J/mol*K | N/A | Deakyne, Knuth, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
21. | 315. | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
By formula: (CN- • 4CHN) + CHN = (CN- • 5CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 41. ± 4.2 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
ΔrH° | 41. | kJ/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84.5 | J/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
ΔrS° | 84.5 | J/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 15.9 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (H4N+ • CHN) + H3N = (H4N+ • H3N • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 78.7 | kJ/mol | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92. | J/mol*K | N/A | Deakyne, Knuth, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
39. | 429. | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
By formula: Br- + CHN = (Br- • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 81.2 ± 4.2 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
ΔrH° | 66.9 ± 8.4 | kJ/mol | Est | Larson and McMahon, 1984 | gas phase; Extrapolated from other halide data; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 82.8 | J/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 56.5 ± 6.7 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: C4H9O2+ + CHN = (C4H9O2+ • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 79.5 | kJ/mol | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | N/A | Speller and Meot-Ner (Mautner), 1985 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
33. | 455. | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; Entropy change calculated or estimated; M |
By formula: C3H7+ + CHN = (C3H7+ • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 166. | kJ/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1991 | gas phase; condensation; M |
ΔrH° | 129. | kJ/mol | PHPMS | Meot-Ner (Mautner), 1978 | gas phase; forms i-C3H7NCH+; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 189. | J/mol*K | PHPMS | Meot-Ner (Mautner) and Sieck, 1991 | gas phase; condensation; M |
ΔrS° | 130. | J/mol*K | PHPMS | Meot-Ner (Mautner), 1978 | gas phase; forms i-C3H7NCH+; M |
By formula: HS- + CHN = (HS- • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 87.9 ± 4.2 | kJ/mol | IMRE | Meot-ner, 1988 | gas phase; See also H2S..CN-; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84. | J/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 62.8 ± 4.2 | kJ/mol | IMRE | Meot-ner, 1988 | gas phase; See also H2S..CN-; B |
By formula: H4N+ + CHN = (H4N+ • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 91.6 | kJ/mol | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase; M |
ΔrH° | 85.8 | kJ/mol | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 97.9 | J/mol*K | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase; M |
ΔrS° | 84.5 | J/mol*K | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; M |
By formula: (CN- • H2O • CHN) + H2O = (CN- • 2H2O • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 40. ± 4.2 | kJ/mol | TDAs | Meot-Ner (Mautner) M. and Speller, 1989 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 73.2 | J/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 18. ± 5.9 | kJ/mol | TDAs | Meot-Ner (Mautner) M. and Speller, 1989 | gas phase; B |
By formula: (CN- • 2CHN) + H2O = (CN- • H2O • 2CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 32. ± 4.2 | kJ/mol | TDAs | Meot-Ner (Mautner) M. and Speller, 1989 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 52.3 | J/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 17. ± 5.9 | kJ/mol | TDAs | Meot-Ner (Mautner) M. and Speller, 1989 | gas phase; B |
By formula: (CN- • CHN) + H2O = (CN- • H2O • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 51.9 ± 4.2 | kJ/mol | TDAs | Meot-Ner (Mautner) M. and Speller, 1989 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 82.4 | J/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 27. ± 5.9 | kJ/mol | TDAs | Meot-Ner (Mautner) M. and Speller, 1989 | gas phase; B |
By formula: (Cl- • 7CHN) + CHN = (Cl- • 8CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 34. ± 4.2 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 115. | J/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.1 ± 9.2 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (CN- • CHN • 2H2O) + CHN = (CN- • 2CHN • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 52.7 | kJ/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84. | J/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
31. | 262. | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
By formula: (CN- • 2CHN • H2O) + CHN = (CN- • 3CHN • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 51.5 | kJ/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84. | J/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
30. | 262. | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
By formula: (Cl- • 2CHN) + CHN = (Cl- • 3CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 56.9 ± 4.2 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 89.5 | J/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 30.1 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (Cl- • 3CHN) + CHN = (Cl- • 4CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 46.9 ± 4.2 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 97.9 | J/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 17.6 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (Cl- • CHN) + CHN = (Cl- • 2CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 74.9 ± 4.2 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 95.0 | J/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 46.44 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (I- • 2CHN) + CHN = (I- • 3CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 46.9 ± 4.2 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 87.9 | J/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 20.5 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (Br- • 2CHN) + CHN = (Br- • 3CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 53.6 ± 4.2 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 91.6 | J/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 26.4 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (Br- • 3CHN) + CHN = (Br- • 4CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 43.5 ± 4.2 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92.5 | J/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 15.9 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (Cl- • 4CHN) + CHN = (Cl- • 5CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 37. ± 4.2 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 89.1 | J/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 10.5 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (Cl- • 5CHN) + CHN = (Cl- • 6CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 36. ± 4.2 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 102. | J/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.28 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (Cl- • 6CHN) + CHN = (Cl- • 7CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 33. ± 4.2 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96.7 | J/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.18 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (I- • 3CHN) + CHN = (I- • 4CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 38. ± 4.2 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84.9 | J/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 13.4 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (I- • 4CHN) + CHN = (I- • 5CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 36. ± 4.2 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 95.8 | J/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.53 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (I- • 5CHN) + CHN = (I- • 6CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 31. ± 4.2 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 83.3 | J/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.28 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (I- • 6CHN) + CHN = (I- • 7CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 31. ± 4.2 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 83.3 | J/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.28 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (I- • 7CHN) + CHN = (I- • 8CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 28. ± 4.2 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 88.7 | J/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.1 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (I- • CHN) + CHN = (I- • 2CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 55.2 ± 4.2 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 83.7 | J/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 30.1 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (Br- • 4CHN) + CHN = (Br- • 5CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 34. ± 4.2 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 77.4 | J/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 10.9 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (Br- • CHN) + CHN = (Br- • 2CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 68.2 ± 4.2 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 95.0 | J/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 39.7 | kJ/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry data, Vibrational and/or electronic energy levels, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to CHN+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 13.60 ± 0.01 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 712.9 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 681.6 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
0.00156 | N/A | Ard, Garrett, et al., 2009 | B |
>1.00171 | EIAE | Tsuda, Yokohata, et al., 1971 | From CH3CN; G3MP2B3 calculations indicate that the anion is unbound by ca. 1 eV. Possibly C2H3- instead.; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
13.71 | EI | Lageot, 1972 | LLK |
13.59 ± 0.01 | PI | Dibeler and Liston, 1968 | RDSH |
13.60 ± 0.01 | PE | Baker and Turner, 1968 | RDSH |
13.73 ± 0.09 | EI | Varsel, Morrell, et al., 1960 | RDSH |
13.7 ± 0.1 | EI | Kusch, Hustrulid, et al., 1937 | RDSH |
13.61 | PE | Kreile, Schweig, et al., 1982 | Vertical value; LBLHLM |
13.607 ± 0.002 | PE | Fridh and Asbrink, 1975 | Vertical value; LLK |
13.60 | PE | Potts and Williams, 1974 | Vertical value; LLK |
13.61 ± 0.01 | PE | Frost, Lee, et al., 1973 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C+ | 23.8 ± 0.5 | ? | EI | Kusch, Hustrulid, et al., 1937 | RDSH |
CH+ | 21.8 ± 0.5 | N | EI | Kusch, Hustrulid, et al., 1937 | RDSH |
CN+ | 19.43 ± 0.01 | H | PI | Berkowitz, Chupka, et al., 1969 | RDSH |
CN+ | 19.40 ± 0.02 | H | PI | Dibeler and Liston, 1968 | RDSH |
CN+ | 20.1 ± 0.2 | H | EI | Kusch, Hustrulid, et al., 1937 | RDSH |
H+ | 15.18 ± 0.02 | CN- | PI | Berkowitz, Chupka, et al., 1969 | RDSH |
H+ | 19.00 ± 0.01 | CN | PI | Berkowitz, Chupka, et al., 1969 | RDSH |
NH+ | 24.9 ± 0.5 | C | EI | Kusch, Hustrulid, et al., 1937 | RDSH |
N+ | 25.6 ± 0.5 | CH | EI | Kusch, Hustrulid, et al., 1937 | RDSH |
De-protonation reactions
CN- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1464. ± 4.2 | kJ/mol | CIDT | Akin and Ervin, 2006 | gas phase; B |
ΔrH° | 1466.5 ± 0.71 | kJ/mol | D-EA | Bradforth, Kim, et al., 1993 | gas phase; B |
ΔrH° | 1469. ± 8.8 | kJ/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1433. ± 4.6 | kJ/mol | H-TS | Akin and Ervin, 2006 | gas phase; B |
ΔrG° | 1435.8 ± 1.1 | kJ/mol | H-TS | Bradforth, Kim, et al., 1993 | gas phase; B |
ΔrG° | 1438. ± 8.4 | kJ/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
Vibrational and/or electronic energy levels
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Takehiko Shimanouchi
Symmetry: C∞ν Symmetry Number σ = 1
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
σ+ | 1 | CH str | 3311 | A | 3311.47 S | gas | 3313 W | liq. | ||
π | 2 | Bend | 712 | A | 711.98 VS | gas | 712 W | liq. | ||
σ+ | 3 | CN str | 2097 | A | 2096.85 W | gas | 2089 S | liq. | ||
Source: Shimanouchi, 1972
Notes
VS | Very strong |
S | Strong |
W | Weak |
A | 0~1 cm-1 uncertainty |
Gas Chromatography
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | CP Sil 5 CB | 20. | 319.9 | Do and Raulin, 1992 | 25. m/0.15 mm/2. μm, H2 |
Capillary | PoraPLOT Q | 160. | 300. | Do and Raulin, 1989 | 10. m/0.32 mm/10. μm, H2 |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polydimethyl siloxane | 320. | Staples, 2006 | Program: not specified |
References
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Larson and McMahon, 1984
Larson, J.W.; McMahon, T.B.,
Gas phase bihalide and pseudohalide ions. An ICR determination of hydrogen bond energies in XHY- species (X,Y = F, Cl, Br, CN),
Inorg. Chem., 1984, 23, 2029. [all data]
Meot-Ner (Mautner) and Speller, 1989
Meot-Ner (Mautner), M.; Speller, C.V.,
Multicomponent Cluster Ions.3. Comparative Stabilities of Cationic and Anionic Hydrogen Bonded Networks. Mixed Clusters of Water and Hydrogen Cyanide,
J. Phys. Chem., 1989, 93, 6580. [all data]
Meot-ner, 1988
Meot-ner, M.,
Ionic Hydrogen Bond and Ion Solvation. 6. Interaction Energies of the Acetate Ion with Organic Molecules. Comparison of CH3COO- with Cl-, CN-, and SH-,
J. Am. Chem. Soc., 1988, 110, 12, 3854, https://doi.org/10.1021/ja00220a022
. [all data]
Meot-ner, Cybulski, et al., 1988
Meot-ner, M.; Cybulski, S.M.; Scheiner, S.; Liebman, J.F.,
Is CN- Significantly Anisotropic? Comparison of CN- vs. Cl-: Clustering with HCN and Condensed Phase Thermochemistry,
J. Phys. Chem., 1988, 92, 10, 2738, https://doi.org/10.1021/j100321a009
. [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]
Larson and McMahon, 1983
Larson, J.W.; McMahon, T.B.,
Strong hydrogen bonding in gas-phase anions. An ion cyclotron resonance determination of fluoride binding energetics to bronsted acids from gas-phase fluoride exchange equilibria measurements,
J. Am. Chem. Soc., 1983, 105, 2944. [all data]
Wenthold and Squires, 1995
Wenthold, P.G.; Squires, R.R.,
Bond dissociation energies of F2(-) and HF2(-). A gas-phase experimental and G2 theoretical study,
J. Phys. Chem., 1995, 99, 7, 2002, https://doi.org/10.1021/j100007a034
. [all data]
Arshadi, Yamdagni, et al., 1970
Arshadi, M.; Yamdagni, R.; Kebarle, P.,
Hydration of Halide Negative Ions in the Gas Phase. II. Comparison of Hydration Energies for the Alkali Positive and Halide Negative Ions,
J. Phys. Chem., 1970, 74, 7, 1475, https://doi.org/10.1021/j100702a014
. [all data]
Woodin and Beauchamp, 1978
Woodin, R.L.; Beauchamp, J.L.,
Bonding of Li+ to Lewis Bases in the Gas Phase. Reversals in Methyl Substituent Effects for Different Reference Acids,
J. Am. Chem. Soc., 1978, 100, 2, 501, https://doi.org/10.1021/ja00470a024
. [all data]
Dzidic and Kebarle, 1970
Dzidic, I.; Kebarle, P.,
Hydration of the Alkali Ions in the Gas Phase. Enthalpies and Entropies of Reactions M+(H2O)n-1 + H2O = M+(H2O)n,
J. Phys. Chem., 1970, 74, 7, 1466, https://doi.org/10.1021/j100702a013
. [all data]
Staley and Beauchamp, 1975
Staley, R.H.; Beauchamp, J.L.,
Intrinsic Acid - Base Properties of Molecules. Binding Energies of Li+ to pi - and n - Donor Bases,
J. Am. Chem. Soc., 1975, 97, 20, 5920, https://doi.org/10.1021/ja00853a050
. [all data]
Larson and McMahon, 1984, 2
Larson, J.W.; McMahon, T.B.,
Hydrogen bonding in gas phase anions. An experimental investigation of the interaction between chloride ion and bronsted acids from ICR chloride exchange equilibria,
J. Am. Chem. Soc., 1984, 106, 517. [all data]
Larson and McMahon, 1984, 3
Larson, J.W.; McMahon, T.B.,
Gas phase negative ion chemistry of alkylchloroformates,
Can. J. Chem., 1984, 62, 675. [all data]
French, Ikuta, et al., 1982
French, M.A.; Ikuta, S.; Kebarle, P.,
Hydrogen bonding of O-H and C-H hydrogen donors to Cl-. Results from mass spectrometric measurement of the ion-molecule equilibria RH + Cl- = RHCl-,
Can. J. Chem., 1982, 60, 1907. [all data]
Akin and Ervin, 2006
Akin, F.A.; Ervin, K.M.,
Collision-induced dissociation of HS-(HCN): Unsymmetrical hydrogen bonding in a proton-bound dimer anion,
J. Phys. Chem. A, 2006, 110, 4, 1342-1349, https://doi.org/10.1021/jp0540454
. [all data]
Bradforth, Kim, et al., 1993
Bradforth, S.E.; Kim, E.H.; Arnold, D.W.; Neumark, D.M.,
Photoelectron Spectroscopy of CN-, NCO-, and NCS-,
J. Chem. Phys., 1993, 98, 2, 800, https://doi.org/10.1063/1.464244
. [all data]
Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr.,
The gas phase acidity scale from methanol to phenol,
J. Am. Chem. Soc., 1979, 101, 6047. [all data]
Deakyne, Knuth, et al., 1994
Deakyne, C.A.; Knuth, D.M.; Speller, C.V.; Meot-Ner (Mautner), M.; Sieck, L.W.,
Filling of Solvent Shells about Ions. Part 3. Isomeric Clusters of (HCN)n(NH3)mH+,
J. Mol. Structure (Theochem), 1994, 307, 217, https://doi.org/10.1016/0166-1280(94)80130-4
. [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]
Meot-Ner (Mautner), 1978
Meot-Ner (Mautner), M.,
Solvation of the Proton by HCN and CH3CN. Condensation of HCN with Ions in the Gas Phase.,
J. Am. Chem. Soc., 1978, 100, 15, 4694, https://doi.org/10.1021/ja00483a012
. [all data]
Meot-Ner (Mautner) M. and Speller, 1989
Meot-Ner (Mautner) M.; Speller, C.V.,
Multicomponent Cluster Ions. 2. Comparative Stabilities of Cationic and Anionic Hydrogen Bonded Networks. Mixed Clusters of Water and Hydrogen Cyanide,
J. Phys. Chem., 1989, 93, 9, 3663, https://doi.org/10.1021/j100346a058
. [all data]
Meot-Ner (Mautner) and Sieck, 1991
Meot-Ner (Mautner), M.; Sieck, L.W.,
Proton affinity ladders from variable-temperature equilibrium measurements. 1. A reevaluation of the upper proton affinity range,
J. Am. Chem. Soc., 1991, 113, 12, 4448, https://doi.org/10.1021/ja00012a012
. [all data]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Ard, Garrett, et al., 2009
Ard, S.; Garrett, W.R.; Compton, R.N.; Adamowicz, L.; Stepanian, S.G.,
Rotational states of dipole-bound anions of hydrogen cyanide.,
Chem. Phys. Lett., 2009, 473, 4-6, 223, https://doi.org/10.1016/j.cplett.2009.04.007
. [all data]
Tsuda, Yokohata, et al., 1971
Tsuda, S.; Yokohata, A.; Umaba, T.,
Measurement of negative ions formed by electron impact. VIII. Ionization efficiency curves of negative ions from methyl and ethyl cyanides,
Bull. Chem. Soc. Jpn., 1971, 44, 1486. [all data]
Lageot, 1972
Lageot, C.,
Etude des etats excites de l'ion HCN+,
J. Chim. Phys. Phys.-Chim. Biol., 1972, 68, 214. [all data]
Dibeler and Liston, 1968
Dibeler, V.H.; Liston, S.K.,
Mass-spectrometric study of photoionization. IX. Hydrogen cyanide and acetonitrile,
J. Chem. Phys., 1968, 48, 4765. [all data]
Baker and Turner, 1968
Baker, C.; Turner, D.W.,
High resolution molecular photoelectron spectroscopy. III.Acetylenes and azaacetylenes,
Proc. Roy. Soc. (London), 1968, A308, 19. [all data]
Varsel, Morrell, et al., 1960
Varsel, C.J.; Morrell, F.A.; Resnik, F.E.; Powell, W.A.,
Qualitative and quantitative analysis of organic compounds. Use of low-voltage mass spectrometry,
Anal. Chem., 1960, 32, 182. [all data]
Kusch, Hustrulid, et al., 1937
Kusch, P.; Hustrulid, A.; Tate, J.T.,
The dissociation of HCN, C2H2, C2N2 and C2H4 by electron impact,
Phys. Rev., 1937, 52, 843. [all data]
Kreile, Schweig, et al., 1982
Kreile, J.; Schweig, A.; Thiel, W.,
Experimental and theoretical investigation of the photoionization of hydrogen cyanide,
Chem. Phys. Lett., 1982, 87, 473. [all data]
Fridh and Asbrink, 1975
Fridh, C.; Asbrink, L.,
Photoelectron electron impact spectrum of HCN,
J. Electron Spectrosc. Relat. Phenom., 1975, 7, 119. [all data]
Potts and Williams, 1974
Potts, A.W.; Williams, T.A.,
The observation of "forbidden" transitions in He II photoelectron spectra,
J. Electron Spectrosc. Relat. Phenom., 1974, 3, 3. [all data]
Frost, Lee, et al., 1973
Frost, D.C.; Lee, S.T.; McDowell, C.A.,
The photoelectron spectrum of HCP and comments on the first photoelectron band of HCN,
Chem. Phys. Lett., 1973, 23, 472. [all data]
Berkowitz, Chupka, et al., 1969
Berkowitz, J.; Chupka, W.A.; Walter, T.A.,
Photoionization of HCN: the electron affinity and heat of formation of CN,
J. Chem. Phys., 1969, 50, 1497. [all data]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]
Do and Raulin, 1992
Do, L.; Raulin, F.,
Gas chromatography of Titan's atmosphere. III. Analysis of low-molecular-weight hydrocarbons and nitriles with a CP-Sil-5 CB WCOT capillary column,
J. Chromatogr., 1992, 591, 1-2, 297-301, https://doi.org/10.1016/0021-9673(92)80247-R
. [all data]
Do and Raulin, 1989
Do, L.; Raulin, F.,
Gas chromatography of Titan's atmosphere. I. Analysis of low-molecular-weight hydrocarbons and nitriles with a PoraPLOT Q porous polymer coated open-tubular capillary column,
J. Chromatogr., 1989, 481, 45-54, https://doi.org/10.1016/S0021-9673(01)96751-2
. [all data]
Staples, 2006
Staples, E.J.,
Creating a compound library for chemical warfare agents for the ZNose, 2006, retrieved from http://www.estcal.com/TechPapers/Security/CWA-Libraries.pdf. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity IE (evaluated) Recommended ionization energy T Temperature ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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