Hydrogen cyanide

Formula: CHN
Molecular weight: 27.0253
IUPAC Standard InChI: InChI=1S/CHN/c1-2/h1H
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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Information on this page:
Other data available:
- Condensed phase thermochemistry data
- Phase change data
- Reaction thermochemistry data: reactions 51 to 92
- Henry's Law data
- IR Spectrum
- Mass spectrum (electron ionization)
- Vibrational and/or electronic energy levels
Data at other public NIST sites:
- Microwave spectra (on physics lab web site)
- Gas Phase Kinetics Database
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Gas phase thermochemistry data

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Gas Chromatography, References, Notes

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_gas	32.299	kcal/mol	Review	Chase, 1998	Data last reviewed in December, 1969
Quantity	Value	Units	Method	Reference	Comment
S°_{gas,1 bar}	48.236	cal/mol*K	Review	Chase, 1998	Data last reviewed in December, 1969

Gas Phase Heat Capacity (Shomate Equation)

C_p° = A + B*t + C*t² + D*t³ + E/t²
H° − H°_298.15= A*t + B*t²/2 + C*t³/3 + D*t⁴/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t²/2 + D*t³/3 − E/(2*t²) + G
C_p = heat capacity (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.

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Temperature (K)	298. to 1200.	1200. to 6000.
A	7.813990	12.51560
B	5.399630	1.329660
C	-1.044250	-0.227826
D	-0.097442	0.013554
E	-0.067495	-1.807860
F	29.51269	24.82130
G	55.75041	58.51931
H	32.30000	32.30000
Reference	Chase, 1998	Chase, 1998
Comment	Data last reviewed in December, 1969	Data last reviewed in December, 1969

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Ion clustering data, Gas Chromatography, References, Notes

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

CN^- + Hydrogen cyanide = (CN^- • )

By formula: CN^- + CHN = (CN^- • CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	21.7 ± 3.5	kcal/mol	IMRE	Larson and McMahon, 1987	gas phase; B,M
Δ_rH°	20.0 ± 2.0	kcal/mol	Est	Larson and McMahon, 1984	gas phase; B
Δ_rH°	20.7	kcal/mol	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M
Δ_rH°	20.7	kcal/mol	PHPMS	Meot-ner, 1988	gas phase; M,B,B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.6	cal/mol*K	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M
Δ_rS°	20.6	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Δ_rS°	20.6	cal/mol*K	PHPMS	Meot-ner, 1988	gas phase; M
Δ_rS°	26.9	cal/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
Δ_rG°	14.5 ± 1.0	kcal/mol	TDAs	Meot-ner, 1988	gas phase; B
Δ_rG°	13.7 ± 2.3	kcal/mol	IMRE	Larson and McMahon, 1987	gas phase; B,M
Δ_rG°	14.5 ± 1.6	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

+ Hydrogen cyanide = ( • )

By formula: F^- + CHN = (F^- • CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	39.5 ± 2.0	kcal/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
Δ_rS°	22.2	cal/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
Δ_rG°	32.9 ± 2.0	kcal/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

+ Hydrogen cyanide = ( • )

By formula: Li⁺ + CHN = (Li⁺ • CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	36.4	kcal/mol	ICR	Woodin and Beauchamp, 1978	gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M
Δ_rH°	36.	kcal/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
Δ_rS°	25.	cal/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
Δ_rG°	28.	kcal/mol	ICR	Woodin and Beauchamp, 1978	gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M

+ Hydrogen cyanide = ( • )

By formula: Cl^- + CHN = (Cl^- • CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	21.8 ± 1.0	kcal/mol	TDAs	Meot-ner, 1988	gas phase; B,B,M
Δ_rH°	21.0 ± 2.0	kcal/mol	IMRE	Larson and McMahon, 1984, 2	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	18.9	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Δ_rS°	23.7	cal/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
Δ_rG°	16.2 ± 1.6	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B
Δ_rG°	16.1 ± 1.0	kcal/mol	TDAs	Meot-ner, 1988	gas phase; B
Δ_rG°	13.9 ± 2.0	kcal/mol	IMRE	Larson and McMahon, 1984, 2	gas phase; B,M

CN^- + = Hydrogen cyanide

By formula: CN^- + H⁺ = CHN

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	349.8 ± 1.0	kcal/mol	CIDT	Akin and Ervin, 2006	gas phase; B
Δ_rH°	350.50 ± 0.17	kcal/mol	D-EA	Bradforth, Kim, et al., 1993	gas phase; B
Δ_rH°	351.1 ± 2.1	kcal/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
Δ_rG°	342.5 ± 1.1	kcal/mol	H-TS	Akin and Ervin, 2006	gas phase; B
Δ_rG°	343.17 ± 0.27	kcal/mol	H-TS	Bradforth, Kim, et al., 1993	gas phase; B
Δ_rG°	343.8 ± 2.0	kcal/mol	IMRE	Bartmess, Scott, et al., 1979	gas phase; value altered from reference due to change in acidity scale; B

+ Hydrogen cyanide = ( • )

By formula: CHO₂^- + CHN = (CHO₂^- • CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	22.0	kcal/mol	PHPMS	Meot-ner, 1988	gas phase; M,B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.	cal/mol*K	N/A	Meot-ner, Cybulski, et al., 1988	gas phase; Entropy change calculated or estimated; M
Δ_rS°	21.4	cal/mol*K	PHPMS	Meot-ner, 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	15.6 ± 1.6	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; Entropy of 22.0 eu assumed.; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
11.8	473.	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; Entropy change calculated or estimated; M

( • Hydrogen cyanide ) + = ( • 2)

By formula: (CHO₂^- • CHN) + CHN = (CHO₂^- • 2CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	17.8	kcal/mol	PHPMS	Meot-ner, 1988	gas phase; M,B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.	cal/mol*K	N/A	Meot-ner, Cybulski, et al., 1988	gas phase; Entropy change calculated or estimated; M
Δ_rS°	23.6	cal/mol*K	PHPMS	Meot-ner, 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	10.70	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; Entropy estimated; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
9.6	350.	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; Entropy change calculated or estimated; M

( • 3 Hydrogen cyanide • ) + = ( • 4 • )

By formula: (H₄N⁺ • 3CHN • H₃N) + CHN = (H₄N⁺ • 4CHN • H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.6	kcal/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
Δ_rS°	20.	cal/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

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
2.7	292.	PHPMS	Deakyne, Knuth, et al., 1994	gas phase; Entropy change calculated or estimated, T = 392 in paper is error; M

( • 8 Hydrogen cyanide ) + = ( • 9)

By formula: (Cl^- • 8CHN) + CHN = (Cl^- • 9CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	7.5 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; Entropy estimated; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	25.	cal/mol*K	N/A	Meot-ner, Cybulski, et al., 1988	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	0.10	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; Entropy estimated; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
3.2	171.	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; Entropy change calculated or estimated; M

( • 4 Hydrogen cyanide ) + = ( • 5)

By formula: (C₂H₃O₂^- • 4CHN) + CHN = (C₂H₃O₂^- • 5CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.8 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; Entropy estimated; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	25.	cal/mol*K	N/A	Meot-ner, Cybulski, et al., 1988	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	2.40	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; Entropy estimated; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
4.5	213.	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; Entropy change calculated or estimated; M

(CN^- • 6 Hydrogen cyanide ) + = (CN^- • 7)

By formula: (CN^- • 6CHN) + CHN = (CN^- • 7CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	7.6 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; Entropy estimated; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.	cal/mol*K	N/A	Meot-ner, Cybulski, et al., 1988	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1.60	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; Entropy estimated; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
3.0	238.	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; Entropy change calculated or estimated; M

(CN^- • 2 Hydrogen cyanide ) + = (CN^- • 3)

By formula: (CN^- • 2CHN) + CHN = (CN^- • 3CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	12.6	kcal/mol	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M
Δ_rH°	12.6	kcal/mol	PHPMS	Meot-ner, 1988	gas phase; M,B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	21.2	cal/mol*K	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M
Δ_rS°	21.2	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Δ_rS°	21.2	cal/mol*K	PHPMS	Meot-ner, 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	6.30	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

(CN^- • 3 Hydrogen cyanide ) + = (CN^- • 4)

By formula: (CN^- • 3CHN) + CHN = (CN^- • 4CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	10.9	kcal/mol	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M
Δ_rH°	10.9	kcal/mol	PHPMS	Meot-ner, 1988	gas phase; M,B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	24.8	cal/mol*K	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M
Δ_rS°	24.8	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Δ_rS°	24.8	cal/mol*K	PHPMS	Meot-ner, 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	3.50	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

(CN^- • Hydrogen cyanide ) + = (CN^- • 2)

By formula: (CN^- • CHN) + CHN = (CN^- • 2CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	16.4	kcal/mol	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M
Δ_rH°	16.4	kcal/mol	PHPMS	Meot-ner, 1988	gas phase; M,B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	21.8	cal/mol*K	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M
Δ_rS°	21.8	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Δ_rS°	21.8	cal/mol*K	PHPMS	Meot-ner, 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	9.90	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

CH₂N⁺ + Hydrogen cyanide = (CH₂N⁺ • )

By formula: CH₂N⁺ + CHN = (CH₂N⁺ • CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	26.1	kcal/mol	PHPMS	Speller and Meot-Ner (Mautner), 1985	gas phase; Δ_rH, Δ_rS too small compared with other nitrile dimers; M
Δ_rH°	30.0	kcal/mol	PHPMS	Meot-Ner (Mautner), 1978	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	23.0	cal/mol*K	PHPMS	Speller and Meot-Ner (Mautner), 1985	gas phase; Δ_rH, Δ_rS too small compared with other nitrile dimers; M
Δ_rS°	32.	cal/mol*K	PHPMS	Meot-Ner (Mautner), 1978	gas phase; M

(CN^- • • 2 Hydrogen cyanide ) + = (CN^- • 2 • 2)

By formula: (CN^- • H₂O • 2CHN) + H₂O = (CN^- • 2H₂O • 2CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.9 ± 1.0	kcal/mol	TDAs	Meot-Ner (Mautner) M. and Speller, 1989	gas phase; Entropy estimated; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.	cal/mol*K	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	2.9 ± 1.4	kcal/mol	TDAs	Meot-Ner (Mautner) M. and Speller, 1989	gas phase; Entropy estimated; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
3.7	262.	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M

(CN^- • 3 Hydrogen cyanide ) + = (CN^- • • 3)

By formula: (CN^- • 3CHN) + H₂O = (CN^- • H₂O • 3CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.4 ± 1.0	kcal/mol	TDAs	Meot-Ner (Mautner) M. and Speller, 1989	gas phase; Entropy estimated; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.	cal/mol*K	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	3.4 ± 1.4	kcal/mol	TDAs	Meot-Ner (Mautner) M. and Speller, 1989	gas phase; Entropy estimated; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
4.2	262.	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M

(CH₂N⁺ • Hydrogen cyanide • ) + = (CH₂N⁺ • 2 • )

By formula: (CH₂N⁺ • CHN • H₂O) + CHN = (CH₂N⁺ • 2CHN • H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	15.6	kcal/mol	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n, Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	24.	cal/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
Δ_rG°	8.4	kcal/mol	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n, Entropy change calculated or estimated; M

( • • 2 Hydrogen cyanide ) + = ( • 2 • 2)

By formula: (H₄N⁺ • H₃N • 2CHN) + H₃N = (H₄N⁺ • 2H₃N • 2CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	12.9	kcal/mol	PHPMS	Deakyne, Knuth, et al., 1994	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.	cal/mol*K	N/A	Deakyne, Knuth, et al., 1994	gas phase; Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
6.6	315.	PHPMS	Deakyne, Knuth, et al., 1994	gas phase; Entropy change calculated or estimated; M

( • Hydrogen cyanide • 2) + = ( • 2 • 2)

By formula: (H₄N⁺ • CHN • 2H₃N) + CHN = (H₄N⁺ • 2CHN • 2H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	11.2	kcal/mol	PHPMS	Deakyne, Knuth, et al., 1994	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.	cal/mol*K	N/A	Deakyne, Knuth, et al., 1994	gas phase; Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
4.9	315.	PHPMS	Deakyne, Knuth, et al., 1994	gas phase; Entropy change calculated or estimated; M

(CN^- • 4 Hydrogen cyanide ) + = (CN^- • 5)

By formula: (CN^- • 4CHN) + CHN = (CN^- • 5CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.8 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B,M
Δ_rH°	9.8	kcal/mol	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.2	cal/mol*K	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M
Δ_rS°	20.2	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	3.80	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

( • Hydrogen cyanide ) + = ( • • )

By formula: (H₄N⁺ • CHN) + H₃N = (H₄N⁺ • H₃N • CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	18.8	kcal/mol	PHPMS	Deakyne, Knuth, et al., 1994	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.	cal/mol*K	N/A	Deakyne, Knuth, et al., 1994	gas phase; Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
9.4	429.	PHPMS	Deakyne, Knuth, et al., 1994	gas phase; Entropy change calculated or estimated; M

+ Hydrogen cyanide = ( • )

By formula: Br^- + CHN = (Br^- • CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	19.4 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B,M
Δ_rH°	16.0 ± 2.0	kcal/mol	Est	Larson and McMahon, 1984	gas phase; Extrapolated from other halide data; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	19.8	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	13.5 ± 1.6	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

C₄H₉O₂⁺ + Hydrogen cyanide = (C₄H₉O₂⁺ • )

By formula: C₄H₉O₂⁺ + CHN = (C₄H₉O₂⁺ • CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	19.0	kcal/mol	PHPMS	Speller and Meot-Ner (Mautner), 1985	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	23.	cal/mol*K	N/A	Speller and Meot-Ner (Mautner), 1985	gas phase; Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
7.9	455.	PHPMS	Speller and Meot-Ner (Mautner), 1985	gas phase; Entropy change calculated or estimated; M

C₃H₇⁺ + Hydrogen cyanide = (C₃H₇⁺ • )

By formula: C₃H₇⁺ + CHN = (C₃H₇⁺ • CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	39.6	kcal/mol	PHPMS	Meot-Ner (Mautner) and Sieck, 1991	gas phase; condensation; M
Δ_rH°	30.8	kcal/mol	PHPMS	Meot-Ner (Mautner), 1978	gas phase; forms i-C3H7NCH+; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	45.2	cal/mol*K	PHPMS	Meot-Ner (Mautner) and Sieck, 1991	gas phase; condensation; M
Δ_rS°	32.	cal/mol*K	PHPMS	Meot-Ner (Mautner), 1978	gas phase; forms i-C3H7NCH+; M

HS^- + Hydrogen cyanide = (HS^- • )

By formula: HS^- + CHN = (HS^- • CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	21.0 ± 1.0	kcal/mol	IMRE	Meot-ner, 1988	gas phase; See also H2S..CN-; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.	cal/mol*K	PHPMS	Meot-ner, 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	15.0 ± 1.0	kcal/mol	IMRE	Meot-ner, 1988	gas phase; See also H2S..CN-; B

+ Hydrogen cyanide = ( • )

By formula: H₄N⁺ + CHN = (H₄N⁺ • CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	21.9	kcal/mol	PHPMS	Deakyne, Knuth, et al., 1994	gas phase; M
Δ_rH°	20.5	kcal/mol	PHPMS	Speller and Meot-Ner (Mautner), 1985	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	23.4	cal/mol*K	PHPMS	Deakyne, Knuth, et al., 1994	gas phase; M
Δ_rS°	20.2	cal/mol*K	PHPMS	Speller and Meot-Ner (Mautner), 1985	gas phase; M

(CN^- • • Hydrogen cyanide ) + = (CN^- • 2 • )

By formula: (CN^- • H₂O • CHN) + H₂O = (CN^- • 2H₂O • CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.5 ± 1.0	kcal/mol	TDAs	Meot-Ner (Mautner) M. and Speller, 1989	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	17.5	cal/mol*K	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	4.2 ± 1.4	kcal/mol	TDAs	Meot-Ner (Mautner) M. and Speller, 1989	gas phase; B

(CN^- • 2 Hydrogen cyanide ) + = (CN^- • • 2)

By formula: (CN^- • 2CHN) + H₂O = (CN^- • H₂O • 2CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	7.7 ± 1.0	kcal/mol	TDAs	Meot-Ner (Mautner) M. and Speller, 1989	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	12.5	cal/mol*K	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	4.0 ± 1.4	kcal/mol	TDAs	Meot-Ner (Mautner) M. and Speller, 1989	gas phase; B

(CN^- • Hydrogen cyanide ) + = (CN^- • • )

By formula: (CN^- • CHN) + H₂O = (CN^- • H₂O • CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	12.4 ± 1.0	kcal/mol	TDAs	Meot-Ner (Mautner) M. and Speller, 1989	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	19.7	cal/mol*K	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	6.5 ± 1.4	kcal/mol	TDAs	Meot-Ner (Mautner) M. and Speller, 1989	gas phase; B

( • 7 Hydrogen cyanide ) + = ( • 8)

By formula: (Cl^- • 7CHN) + CHN = (Cl^- • 8CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.2 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	27.4	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	0.0 ± 2.2	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

(CN^- • Hydrogen cyanide • 2) + = (CN^- • 2 • 2)

By formula: (CN^- • CHN • 2H₂O) + CHN = (CN^- • 2CHN • 2H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	12.6	kcal/mol	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.	cal/mol*K	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
7.4	262.	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M

(CN^- • 2 Hydrogen cyanide • ) + = (CN^- • 3 • )

By formula: (CN^- • 2CHN • H₂O) + CHN = (CN^- • 3CHN • H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	12.3	kcal/mol	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.	cal/mol*K	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
7.1	262.	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M

( • 2 Hydrogen cyanide ) + = ( • 3)

By formula: (Cl^- • 2CHN) + CHN = (Cl^- • 3CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	13.6 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	21.4	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	7.20	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

( • 3 Hydrogen cyanide ) + = ( • 4)

By formula: (Cl^- • 3CHN) + CHN = (Cl^- • 4CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	11.2 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	23.4	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	4.20	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

( • Hydrogen cyanide ) + = ( • 2)

By formula: (Cl^- • CHN) + CHN = (Cl^- • 2CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	17.9 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.7	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	11.10	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

( • 2 Hydrogen cyanide ) + = ( • 3)

By formula: (I^- • 2CHN) + CHN = (I^- • 3CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	11.2 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	21.0	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	4.90	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

( • 2 Hydrogen cyanide ) + = ( • 3)

By formula: (Br^- • 2CHN) + CHN = (Br^- • 3CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	12.8 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	21.9	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	6.30	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

( • 3 Hydrogen cyanide ) + = ( • 4)

By formula: (Br^- • 3CHN) + CHN = (Br^- • 4CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	10.4 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.1	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	3.80	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

( • 4 Hydrogen cyanide ) + = ( • 5)

By formula: (Cl^- • 4CHN) + CHN = (Cl^- • 5CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.8 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	21.3	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	2.50	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

( • 5 Hydrogen cyanide ) + = ( • 6)

By formula: (Cl^- • 5CHN) + CHN = (Cl^- • 6CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.7 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	24.3	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1.50	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

( • 6 Hydrogen cyanide ) + = ( • 7)

By formula: (Cl^- • 6CHN) + CHN = (Cl^- • 7CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	7.9 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	23.1	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1.00	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

( • 3 Hydrogen cyanide ) + = ( • 4)

By formula: (I^- • 3CHN) + CHN = (I^- • 4CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.2 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.3	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	3.20	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

( • 4 Hydrogen cyanide ) + = ( • 5)

By formula: (I^- • 4CHN) + CHN = (I^- • 5CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.6 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.9	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1.80	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

( • 5 Hydrogen cyanide ) + = ( • 6)

By formula: (I^- • 5CHN) + CHN = (I^- • 6CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	7.4 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	19.9	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1.50	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

( • 6 Hydrogen cyanide ) + = ( • 7)

By formula: (I^- • 6CHN) + CHN = (I^- • 7CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	7.4 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	19.9	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1.50	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

( • 7 Hydrogen cyanide ) + = ( • 8)

By formula: (I^- • 7CHN) + CHN = (I^- • 8CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	6.8 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	21.2	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	0.50	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

( • Hydrogen cyanide ) + = ( • 2)

By formula: (I^- • CHN) + CHN = (I^- • 2CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	13.2 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.0	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	7.20	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

( • 4 Hydrogen cyanide ) + = ( • 5)

By formula: (Br^- • 4CHN) + CHN = (Br^- • 5CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.1 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	18.5	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	2.60	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

( • Hydrogen cyanide ) + = ( • 2)

By formula: (Br^- • CHN) + CHN = (Br^- • 2CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	16.3 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.7	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	9.50	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Ion clustering data, Gas Chromatography, References, Notes

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)	170.4	kcal/mol	N/A	Hunter and Lias, 1998	HL
Quantity	Value	Units	Method	Reference	Comment
Gas basicity	162.9	kcal/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^- + = Hydrogen cyanide

By formula: CN^- + H⁺ = CHN

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	349.8 ± 1.0	kcal/mol	CIDT	Akin and Ervin, 2006	gas phase; B
Δ_rH°	350.50 ± 0.17	kcal/mol	D-EA	Bradforth, Kim, et al., 1993	gas phase; B
Δ_rH°	351.1 ± 2.1	kcal/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
Δ_rG°	342.5 ± 1.1	kcal/mol	H-TS	Akin and Ervin, 2006	gas phase; B
Δ_rG°	343.17 ± 0.27	kcal/mol	H-TS	Bradforth, Kim, et al., 1993	gas phase; B
Δ_rG°	343.8 ± 2.0	kcal/mol	IMRE	Bartmess, Scott, et al., 1979	gas phase; value altered from reference due to change in acidity scale; B

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Gas Chromatography, References, Notes

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. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

+ Hydrogen cyanide = ( • )

By formula: Br^- + CHN = (Br^- • CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	19.4 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B,M
Δ_rH°	16.0 ± 2.0	kcal/mol	Est	Larson and McMahon, 1984	gas phase; Extrapolated from other halide data; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	19.8	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	13.5 ± 1.6	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

( • Hydrogen cyanide ) + = ( • 2)

By formula: (Br^- • CHN) + CHN = (Br^- • 2CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	16.3 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.7	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	9.50	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

( • 2 Hydrogen cyanide ) + = ( • 3)

By formula: (Br^- • 2CHN) + CHN = (Br^- • 3CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	12.8 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	21.9	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	6.30	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

( • 3 Hydrogen cyanide ) + = ( • 4)

By formula: (Br^- • 3CHN) + CHN = (Br^- • 4CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	10.4 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.1	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	3.80	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

( • 4 Hydrogen cyanide ) + = ( • 5)

By formula: (Br^- • 4CHN) + CHN = (Br^- • 5CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.1 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	18.5	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	2.60	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

+ Hydrogen cyanide = ( • )

By formula: CHO₂^- + CHN = (CHO₂^- • CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	22.0	kcal/mol	PHPMS	Meot-ner, 1988	gas phase; M,B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.	cal/mol*K	N/A	Meot-ner, Cybulski, et al., 1988	gas phase; Entropy change calculated or estimated; M
Δ_rS°	21.4	cal/mol*K	PHPMS	Meot-ner, 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	15.6 ± 1.6	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; Entropy of 22.0 eu assumed.; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
11.8	473.	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; Entropy change calculated or estimated; M

( • Hydrogen cyanide ) + = ( • 2)

By formula: (CHO₂^- • CHN) + CHN = (CHO₂^- • 2CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	17.8	kcal/mol	PHPMS	Meot-ner, 1988	gas phase; M,B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.	cal/mol*K	N/A	Meot-ner, Cybulski, et al., 1988	gas phase; Entropy change calculated or estimated; M
Δ_rS°	23.6	cal/mol*K	PHPMS	Meot-ner, 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	10.70	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; Entropy estimated; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
9.6	350.	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; Entropy change calculated or estimated; M

CH₂N⁺ + Hydrogen cyanide = (CH₂N⁺ • )

By formula: CH₂N⁺ + CHN = (CH₂N⁺ • CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	26.1	kcal/mol	PHPMS	Speller and Meot-Ner (Mautner), 1985	gas phase; Δ_rH, Δ_rS too small compared with other nitrile dimers; M
Δ_rH°	30.0	kcal/mol	PHPMS	Meot-Ner (Mautner), 1978	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	23.0	cal/mol*K	PHPMS	Speller and Meot-Ner (Mautner), 1985	gas phase; Δ_rH, Δ_rS too small compared with other nitrile dimers; M
Δ_rS°	32.	cal/mol*K	PHPMS	Meot-Ner (Mautner), 1978	gas phase; M

(CH₂N⁺ • Hydrogen cyanide ) + = (CH₂N⁺ • 2)

By formula: (CH₂N⁺ • CHN) + CHN = (CH₂N⁺ • 2CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	13.8	kcal/mol	PHPMS	Meot-Ner (Mautner), 1978	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	23.	cal/mol*K	PHPMS	Meot-Ner (Mautner), 1978	gas phase; M

(CH₂N⁺ • 2 Hydrogen cyanide ) + = (CH₂N⁺ • 3)

By formula: (CH₂N⁺ • 2CHN) + CHN = (CH₂N⁺ • 3CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	11.8	kcal/mol	PHPMS	Meot-Ner (Mautner), 1978	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	25.	cal/mol*K	PHPMS	Meot-Ner (Mautner), 1978	gas phase; M

(CH₂N⁺ • 3 Hydrogen cyanide ) + = (CH₂N⁺ • 4)

By formula: (CH₂N⁺ • 3CHN) + CHN = (CH₂N⁺ • 4CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.2	kcal/mol	PHPMS	Meot-Ner (Mautner), 1978	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	26.0	cal/mol*K	PHPMS	Meot-Ner (Mautner), 1978	gas phase; M

(CH₂N⁺ • Hydrogen cyanide • ) + = (CH₂N⁺ • 2 • )

By formula: (CH₂N⁺ • CHN • H₂O) + CHN = (CH₂N⁺ • 2CHN • H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	15.6	kcal/mol	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n, Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	24.	cal/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
Δ_rG°	8.4	kcal/mol	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n, Entropy change calculated or estimated; M

(CH₂N⁺ • ) + Hydrogen cyanide = (CH₂N⁺ • • )

By formula: (CH₂N⁺ • H₂O) + CHN = (CH₂N⁺ • CHN • H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	18.8	kcal/mol	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.4	cal/mol*K	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M

(CH₂N⁺ • 2) + Hydrogen cyanide = (CH₂N⁺ • • 2)

By formula: (CH₂N⁺ • 2H₂O) + CHN = (CH₂N⁺ • CHN • 2H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	16.9	kcal/mol	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	24.1	cal/mol*K	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M

+ Hydrogen cyanide = ( • )

By formula: CH₃O⁺ + CHN = (CH₃O⁺ • CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	20.6	kcal/mol	FA	Tanaka, Mackay, et al., 1978	gas phase; switching reaction(H2COH+)H2CO; Fehsenfeld, Dotan, et al., 1978, Cunningham, Payzant, et al., 1972; M

CH₄NO⁺ + Hydrogen cyanide = (CH₄NO⁺ • )

By formula: CH₄NO⁺ + CHN = (CH₄NO⁺ • CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	19.3	kcal/mol	PHPMS	Speller and Meot-Ner (Mautner), 1985	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	23.	cal/mol*K	PHPMS	Speller and Meot-Ner (Mautner), 1985	gas phase; M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
9.5	427.	PHPMS	Speller and Meot-Ner (Mautner), 1985	gas phase; M

CH₅O⁺ + Hydrogen cyanide = (CH₅O⁺ • )

By formula: CH₅O⁺ + CHN = (CH₅O⁺ • CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	25.7	kcal/mol	PHPMS	Speller and Meot-Ner (Mautner), 1985	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.1	cal/mol*K	PHPMS	Speller and Meot-Ner (Mautner), 1985	gas phase; M

CH₆N⁺ + Hydrogen cyanide = (CH₆N⁺ • )

By formula: CH₆N⁺ + CHN = (CH₆N⁺ • CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	20.8	kcal/mol	PHPMS	Speller and Meot-Ner (Mautner), 1985	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.9	cal/mol*K	PHPMS	Speller and Meot-Ner (Mautner), 1985	gas phase; M

CN^- + Hydrogen cyanide = (CN^- • )

By formula: CN^- + CHN = (CN^- • CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	21.7 ± 3.5	kcal/mol	IMRE	Larson and McMahon, 1987	gas phase; B,M
Δ_rH°	20.0 ± 2.0	kcal/mol	Est	Larson and McMahon, 1984	gas phase; B
Δ_rH°	20.7	kcal/mol	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M
Δ_rH°	20.7	kcal/mol	PHPMS	Meot-ner, 1988	gas phase; M,B,B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.6	cal/mol*K	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M
Δ_rS°	20.6	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Δ_rS°	20.6	cal/mol*K	PHPMS	Meot-ner, 1988	gas phase; M
Δ_rS°	26.9	cal/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
Δ_rG°	14.5 ± 1.0	kcal/mol	TDAs	Meot-ner, 1988	gas phase; B
Δ_rG°	13.7 ± 2.3	kcal/mol	IMRE	Larson and McMahon, 1987	gas phase; B,M
Δ_rG°	14.5 ± 1.6	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

(CN^- • Hydrogen cyanide ) + = (CN^- • 2)

By formula: (CN^- • CHN) + CHN = (CN^- • 2CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	16.4	kcal/mol	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M
Δ_rH°	16.4	kcal/mol	PHPMS	Meot-ner, 1988	gas phase; M,B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	21.8	cal/mol*K	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M
Δ_rS°	21.8	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Δ_rS°	21.8	cal/mol*K	PHPMS	Meot-ner, 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	9.90	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

(CN^- • 2 Hydrogen cyanide ) + = (CN^- • 3)

By formula: (CN^- • 2CHN) + CHN = (CN^- • 3CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	12.6	kcal/mol	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M
Δ_rH°	12.6	kcal/mol	PHPMS	Meot-ner, 1988	gas phase; M,B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	21.2	cal/mol*K	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M
Δ_rS°	21.2	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Δ_rS°	21.2	cal/mol*K	PHPMS	Meot-ner, 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	6.30	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

(CN^- • 3 Hydrogen cyanide ) + = (CN^- • 4)

By formula: (CN^- • 3CHN) + CHN = (CN^- • 4CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	10.9	kcal/mol	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M
Δ_rH°	10.9	kcal/mol	PHPMS	Meot-ner, 1988	gas phase; M,B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	24.8	cal/mol*K	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M
Δ_rS°	24.8	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Δ_rS°	24.8	cal/mol*K	PHPMS	Meot-ner, 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	3.50	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

(CN^- • 4 Hydrogen cyanide ) + = (CN^- • 5)

By formula: (CN^- • 4CHN) + CHN = (CN^- • 5CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.8 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B,M
Δ_rH°	9.8	kcal/mol	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.2	cal/mol*K	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M
Δ_rS°	20.2	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	3.80	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

(CN^- • 5 Hydrogen cyanide ) + = (CN^- • 6)

By formula: (CN^- • 5CHN) + CHN = (CN^- • 6CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.5 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.4	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	2.40	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

(CN^- • 6 Hydrogen cyanide ) + = (CN^- • 7)

By formula: (CN^- • 6CHN) + CHN = (CN^- • 7CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	7.6 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; Entropy estimated; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.	cal/mol*K	N/A	Meot-ner, Cybulski, et al., 1988	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1.60	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; Entropy estimated; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
3.0	238.	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; Entropy change calculated or estimated; M

(CN^- • Hydrogen cyanide • ) + = (CN^- • 2 • )

By formula: (CN^- • CHN • H₂O) + CHN = (CN^- • 2CHN • H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	13.2	kcal/mol	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	17.8	cal/mol*K	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M

(CN^- • Hydrogen cyanide • 2) + = (CN^- • 2 • 2)

By formula: (CN^- • CHN • 2H₂O) + CHN = (CN^- • 2CHN • 2H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	12.6	kcal/mol	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.	cal/mol*K	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
7.4	262.	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M

(CN^- • 2 Hydrogen cyanide • ) + = (CN^- • 3 • )

By formula: (CN^- • 2CHN • H₂O) + CHN = (CN^- • 3CHN • H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	12.3	kcal/mol	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.	cal/mol*K	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
7.1	262.	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M

(CN^- • 3) + Hydrogen cyanide = (CN^- • • 3)

By formula: (CN^- • 3H₂O) + CHN = (CN^- • CHN • 3H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	13.1	kcal/mol	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.	cal/mol*K	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
7.9	262.	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M

+ Hydrogen cyanide = ( • )

By formula: C₂H₃O₂^- + CHN = (C₂H₃O₂^- • CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	22.2 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B,B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	23.5	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M

( • Hydrogen cyanide ) + = ( • 2)

By formula: (C₂H₃O₂^- • CHN) + CHN = (C₂H₃O₂^- • 2CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	16.6 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.2	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	10.60	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

( • 2 Hydrogen cyanide ) + = ( • 3)

By formula: (C₂H₃O₂^- • 2CHN) + CHN = (C₂H₃O₂^- • 3CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	14.8 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	25.6	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	7.20	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

( • 3 Hydrogen cyanide ) + = ( • 4)

By formula: (C₂H₃O₂^- • 3CHN) + CHN = (C₂H₃O₂^- • 4CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	12.0 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	27.2	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	3.90	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

( • 4 Hydrogen cyanide ) + = ( • 5)

By formula: (C₂H₃O₂^- • 4CHN) + CHN = (C₂H₃O₂^- • 5CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.8 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; Entropy estimated; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	25.	cal/mol*K	N/A	Meot-ner, Cybulski, et al., 1988	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	2.40	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; Entropy estimated; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
4.5	213.	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; Entropy change calculated or estimated; M

C₂H₄N⁺ + Hydrogen cyanide = (C₂H₄N⁺ • )

By formula: C₂H₄N⁺ + CHN = (C₂H₄N⁺ • CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	22.1	kcal/mol	PHPMS	Speller and Meot-Ner (Mautner), 1985	gas phase; CD3CNH+; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	23.1	cal/mol*K	PHPMS	Speller and Meot-Ner (Mautner), 1985	gas phase; CD3CNH+; M

C₂H₅O⁺ + Hydrogen cyanide = (C₂H₅O⁺ • )

By formula: C₂H₅O⁺ + CHN = (C₂H₅O⁺ • CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	23.0	kcal/mol	PHPMS	Speller and Meot-Ner (Mautner), 1985	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	21.7	cal/mol*K	PHPMS	Speller and Meot-Ner (Mautner), 1985	gas phase; M

C₃H₂N⁺ + Hydrogen cyanide = (C₃H₂N⁺ • )

By formula: C₃H₂N⁺ + CHN = (C₃H₂N⁺ • CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	23.8	kcal/mol	PHPMS	Speller and Meot-Ner (Mautner), 1985	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	25.6	cal/mol*K	PHPMS	Speller and Meot-Ner (Mautner), 1985	gas phase; M

+ Hydrogen cyanide = ( • )

By formula: C₃H₃N₂^- + CHN = (C₃H₃N₂^- • CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	23.9	kcal/mol	PHPMS	Meot-Ner (Mautner), 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	21.9	cal/mol*K	PHPMS	Meot-Ner (Mautner), 1988	gas phase; M

C₃H₇⁺ + Hydrogen cyanide = (C₃H₇⁺ • )

By formula: C₃H₇⁺ + CHN = (C₃H₇⁺ • CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	39.6	kcal/mol	PHPMS	Meot-Ner (Mautner) and Sieck, 1991	gas phase; condensation; M
Δ_rH°	30.8	kcal/mol	PHPMS	Meot-Ner (Mautner), 1978	gas phase; forms i-C3H7NCH+; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	45.2	cal/mol*K	PHPMS	Meot-Ner (Mautner) and Sieck, 1991	gas phase; condensation; M
Δ_rS°	32.	cal/mol*K	PHPMS	Meot-Ner (Mautner), 1978	gas phase; forms i-C3H7NCH+; M

C₃H₇O⁺ + Hydrogen cyanide = (C₃H₇O⁺ • )

By formula: C₃H₇O⁺ + CHN = (C₃H₇O⁺ • CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	20.4	kcal/mol	PHPMS	Speller and Meot-Ner (Mautner), 1985	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	23.6	cal/mol*K	PHPMS	Speller and Meot-Ner (Mautner), 1985	gas phase; M

C₃H₁₀N⁺ + Hydrogen cyanide = (C₃H₁₀N⁺ • )

By formula: C₃H₁₀N⁺ + CHN = (C₃H₁₀N⁺ • CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	16.8	kcal/mol	PHPMS	Speller and Meot-Ner (Mautner), 1985	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	23.0	cal/mol*K	PHPMS	Speller and Meot-Ner (Mautner), 1985	gas phase; M

C₄H₈N⁺ + Hydrogen cyanide = (C₄H₈N⁺ • )

By formula: C₄H₈N⁺ + CHN = (C₄H₈N⁺ • CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	20.1	kcal/mol	PHPMS	Speller and Meot-Ner (Mautner), 1985	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.5	cal/mol*K	PHPMS	Speller and Meot-Ner (Mautner), 1985	gas phase; M

C₄H₉⁺ + Hydrogen cyanide = (C₄H₉⁺ • )

By formula: C₄H₉⁺ + CHN = (C₄H₉⁺ • CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	16.3	kcal/mol	PHPMS	Meot-Ner (Mautner), 1978	gas phase; may form t-C4H9NCH+; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	25.	cal/mol*K	PHPMS	Meot-Ner (Mautner), 1978	gas phase; may form t-C4H9NCH+; M

C₄H₉O₂⁺ + Hydrogen cyanide = (C₄H₉O₂⁺ • )

By formula: C₄H₉O₂⁺ + CHN = (C₄H₉O₂⁺ • CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	19.0	kcal/mol	PHPMS	Speller and Meot-Ner (Mautner), 1985	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	23.	cal/mol*K	N/A	Speller and Meot-Ner (Mautner), 1985	gas phase; Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
7.9	455.	PHPMS	Speller and Meot-Ner (Mautner), 1985	gas phase; Entropy change calculated or estimated; M

C₄H₁₀NO⁺ + Hydrogen cyanide = (C₄H₁₀NO⁺ • )

By formula: C₄H₁₀NO⁺ + CHN = (C₄H₁₀NO⁺ • CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	15.8	kcal/mol	PHPMS	Speller and Meot-Ner (Mautner), 1985	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.8	cal/mol*K	PHPMS	Speller and Meot-Ner (Mautner), 1985	gas phase; M

C₇H₁₁O⁺ + Hydrogen cyanide = (C₇H₁₁O⁺ • )

By formula: C₇H₁₁O⁺ + CHN = (C₇H₁₁O⁺ • CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	17.6	kcal/mol	PHPMS	Speller and Meot-Ner (Mautner), 1985	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	23.2	cal/mol*K	PHPMS	Speller and Meot-Ner (Mautner), 1985	gas phase; M

C₉H₂₂N⁺ + Hydrogen cyanide = (C₉H₂₂N⁺ • )

By formula: C₉H₂₂N⁺ + CHN = (C₉H₂₂N⁺ • CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	13.8	kcal/mol	PHPMS	Speller and Meot-Ner (Mautner), 1985	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	29.0	cal/mol*K	PHPMS	Speller and Meot-Ner (Mautner), 1985	gas phase; M

+ Hydrogen cyanide = ( • )

By formula: Cl^- + CHN = (Cl^- • CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	21.8 ± 1.0	kcal/mol	TDAs	Meot-ner, 1988	gas phase; B,B,M
Δ_rH°	21.0 ± 2.0	kcal/mol	IMRE	Larson and McMahon, 1984, 2	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	18.9	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Δ_rS°	23.7	cal/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
Δ_rG°	16.2 ± 1.6	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B
Δ_rG°	16.1 ± 1.0	kcal/mol	TDAs	Meot-ner, 1988	gas phase; B
Δ_rG°	13.9 ± 2.0	kcal/mol	IMRE	Larson and McMahon, 1984, 2	gas phase; B,M

( • Hydrogen cyanide ) + = ( • 2)

By formula: (Cl^- • CHN) + CHN = (Cl^- • 2CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	17.9 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.7	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	11.10	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

( • 2 Hydrogen cyanide ) + = ( • 3)

By formula: (Cl^- • 2CHN) + CHN = (Cl^- • 3CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	13.6 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	21.4	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	7.20	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

( • 3 Hydrogen cyanide ) + = ( • 4)

By formula: (Cl^- • 3CHN) + CHN = (Cl^- • 4CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	11.2 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	23.4	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	4.20	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

( • 4 Hydrogen cyanide ) + = ( • 5)

By formula: (Cl^- • 4CHN) + CHN = (Cl^- • 5CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.8 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	21.3	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	2.50	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

( • 5 Hydrogen cyanide ) + = ( • 6)

By formula: (Cl^- • 5CHN) + CHN = (Cl^- • 6CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.7 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	24.3	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1.50	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

( • 6 Hydrogen cyanide ) + = ( • 7)

By formula: (Cl^- • 6CHN) + CHN = (Cl^- • 7CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	7.9 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	23.1	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1.00	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

( • 7 Hydrogen cyanide ) + = ( • 8)

By formula: (Cl^- • 7CHN) + CHN = (Cl^- • 8CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.2 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	27.4	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	0.0 ± 2.2	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

( • 8 Hydrogen cyanide ) + = ( • 9)

By formula: (Cl^- • 8CHN) + CHN = (Cl^- • 9CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	7.5 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; Entropy estimated; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	25.	cal/mol*K	N/A	Meot-ner, Cybulski, et al., 1988	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	0.10	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; Entropy estimated; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
3.2	171.	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; Entropy change calculated or estimated; M

+ Hydrogen cyanide = ( • )

By formula: F^- + CHN = (F^- • CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	39.5 ± 2.0	kcal/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
Δ_rS°	22.2	cal/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
Δ_rG°	32.9 ± 2.0	kcal/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

HS^- + Hydrogen cyanide = (HS^- • )

By formula: HS^- + CHN = (HS^- • CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	21.0 ± 1.0	kcal/mol	IMRE	Meot-ner, 1988	gas phase; See also H2S..CN-; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.	cal/mol*K	PHPMS	Meot-ner, 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	15.0 ± 1.0	kcal/mol	IMRE	Meot-ner, 1988	gas phase; See also H2S..CN-; B

( • 2) + Hydrogen cyanide = ( • • 2)

By formula: (H₃O⁺ • 2H₂O) + CHN = (H₃O⁺ • CHN • 2H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	19.8	kcal/mol	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	29.3	cal/mol*K	PHPMS	Meot-Ner (Mautner) and Speller, 1989	gas phase; n; M

+ Hydrogen cyanide = ( • )

By formula: H₄N⁺ + CHN = (H₄N⁺ • CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	21.9	kcal/mol	PHPMS	Deakyne, Knuth, et al., 1994	gas phase; M
Δ_rH°	20.5	kcal/mol	PHPMS	Speller and Meot-Ner (Mautner), 1985	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	23.4	cal/mol*K	PHPMS	Deakyne, Knuth, et al., 1994	gas phase; M
Δ_rS°	20.2	cal/mol*K	PHPMS	Speller and Meot-Ner (Mautner), 1985	gas phase; M

( • Hydrogen cyanide ) + = ( • 2)

By formula: (H₄N⁺ • CHN) + CHN = (H₄N⁺ • 2CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	17.4	kcal/mol	PHPMS	Deakyne, Knuth, et al., 1994	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	23.4	cal/mol*K	PHPMS	Deakyne, Knuth, et al., 1994	gas phase; M

( • 2 Hydrogen cyanide ) + = ( • 3)

By formula: (H₄N⁺ • 2CHN) + CHN = (H₄N⁺ • 3CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	13.7	kcal/mol	PHPMS	Deakyne, Knuth, et al., 1994	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	21.5	cal/mol*K	PHPMS	Deakyne, Knuth, et al., 1994	gas phase; M

( • 3 Hydrogen cyanide ) + = ( • 4)

By formula: (H₄N⁺ • 3CHN) + CHN = (H₄N⁺ • 4CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	11.0	kcal/mol	PHPMS	Deakyne, Knuth, et al., 1994	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.9	cal/mol*K	PHPMS	Deakyne, Knuth, et al., 1994	gas phase; M

( • 4 Hydrogen cyanide ) + = ( • 5)

By formula: (H₄N⁺ • 4CHN) + CHN = (H₄N⁺ • 5CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	7.9	kcal/mol	PHPMS	Deakyne, Knuth, et al., 1994	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	18.9	cal/mol*K	PHPMS	Deakyne, Knuth, et al., 1994	gas phase; M

( • 5 Hydrogen cyanide ) + = ( • 6)

By formula: (H₄N⁺ • 5CHN) + CHN = (H₄N⁺ • 6CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	7.4	kcal/mol	PHPMS	Deakyne, Knuth, et al., 1994	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	19.9	cal/mol*K	PHPMS	Deakyne, Knuth, et al., 1994	gas phase; M

( • Hydrogen cyanide • ) + = ( • 2 • )

By formula: (H₄N⁺ • CHN • H₃N) + CHN = (H₄N⁺ • 2CHN • H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	12.2	kcal/mol	PHPMS	Deakyne, Knuth, et al., 1994	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	19.4	cal/mol*K	PHPMS	Deakyne, Knuth, et al., 1994	gas phase; M

( • Hydrogen cyanide • 2) + = ( • 2 • 2)

By formula: (H₄N⁺ • CHN • 2H₃N) + CHN = (H₄N⁺ • 2CHN • 2H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	11.2	kcal/mol	PHPMS	Deakyne, Knuth, et al., 1994	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.	cal/mol*K	N/A	Deakyne, Knuth, et al., 1994	gas phase; Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
4.9	315.	PHPMS	Deakyne, Knuth, et al., 1994	gas phase; Entropy change calculated or estimated; M

( • 2 Hydrogen cyanide • ) + = ( • 3 • )

By formula: (H₄N⁺ • 2CHN • H₃N) + CHN = (H₄N⁺ • 3CHN • H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	12.8	kcal/mol	PHPMS	Deakyne, Knuth, et al., 1994	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	24.1	cal/mol*K	PHPMS	Deakyne, Knuth, et al., 1994	gas phase; M

( • 3 Hydrogen cyanide • ) + = ( • 4 • )

By formula: (H₄N⁺ • 3CHN • H₃N) + CHN = (H₄N⁺ • 4CHN • H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.6	kcal/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
Δ_rS°	20.	cal/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

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
2.7	292.	PHPMS	Deakyne, Knuth, et al., 1994	gas phase; Entropy change calculated or estimated, T = 392 in paper is error; M

( • ) + Hydrogen cyanide = ( • • )

By formula: (H₄N⁺ • H₃N) + CHN = (H₄N⁺ • CHN • H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	14.2	kcal/mol	PHPMS	Deakyne, Knuth, et al., 1994	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	18.5	cal/mol*K	PHPMS	Deakyne, Knuth, et al., 1994	gas phase; M

( • 2) + Hydrogen cyanide = ( • • 2)

By formula: (H₄N⁺ • 2H₃N) + CHN = (H₄N⁺ • CHN • 2H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	13.4	kcal/mol	PHPMS	Deakyne, Knuth, et al., 1994	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	18.3	cal/mol*K	N/A	Deakyne, Knuth, et al., 1994	gas phase; Entropy change calculated or estimated; M

+ Hydrogen cyanide = ( • )

By formula: I^- + CHN = (I^- • CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	16.8 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	21.2	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	10.4 ± 1.6	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

( • Hydrogen cyanide ) + = ( • 2)

By formula: (I^- • CHN) + CHN = (I^- • 2CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	13.2 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.0	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	7.20	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

( • 2 Hydrogen cyanide ) + = ( • 3)

By formula: (I^- • 2CHN) + CHN = (I^- • 3CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	11.2 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	21.0	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	4.90	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

( • 3 Hydrogen cyanide ) + = ( • 4)

By formula: (I^- • 3CHN) + CHN = (I^- • 4CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.2 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.3	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	3.20	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

( • 4 Hydrogen cyanide ) + = ( • 5)

By formula: (I^- • 4CHN) + CHN = (I^- • 5CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.6 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.9	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1.80	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

( • 5 Hydrogen cyanide ) + = ( • 6)

By formula: (I^- • 5CHN) + CHN = (I^- • 6CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	7.4 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	19.9	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1.50	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

( • 6 Hydrogen cyanide ) + = ( • 7)

By formula: (I^- • 6CHN) + CHN = (I^- • 7CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	7.4 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	19.9	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1.50	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

( • 7 Hydrogen cyanide ) + = ( • 8)

By formula: (I^- • 7CHN) + CHN = (I^- • 8CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	6.8 ± 1.0	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	21.2	cal/mol*K	PHPMS	Meot-ner, Cybulski, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	0.50	kcal/mol	TDAs	Meot-ner, Cybulski, et al., 1988	gas phase; B

+ Hydrogen cyanide = ( • )

By formula: Li⁺ + CHN = (Li⁺ • CHN)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	36.4	kcal/mol	ICR	Woodin and Beauchamp, 1978	gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M
Δ_rH°	36.	kcal/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
Δ_rS°	25.	cal/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
Δ_rG°	28.	kcal/mol	ICR	Woodin and Beauchamp, 1978	gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M

Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, References, Notes

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

View large format table.

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Polydimethyl siloxane	320.	Staples, 2006	Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Gas Chromatography, Notes

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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
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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]

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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]

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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]

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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]

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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]

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Tanaka, K.; Mackay, G.I.; Bohme, D.K., Rate and Equilibrium Constant Measurements for Gas-Phase Proton-Transfer Reactions Involving H2O, H2S, HCN, and H2CO, Can. J. Chem., 1978, 56, 2, 193, https://doi.org/10.1139/v78-031 . [all data]

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Meot-Ner (Mautner), 1988
Meot-Ner (Mautner), M., Models for Strong Interactions in Proteins and Enzymes. 2. Interactions of Ions with the Peptide Link and Imidazole, J. Am. Chem. Soc., 1988, 110, 10, 3075, https://doi.org/10.1021/ja00218a014 . [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, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Gas Chromatography, References

Symbols used in this document:

AE	Appearance energy
EA	Electron affinity
IE (evaluated)	Recommended ionization energy
S°_{gas,1 bar}	Entropy of gas at standard conditions (1 bar)
T	Temperature
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions
Δ_rG°	Free energy of reaction at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions
Δ_rS°	Entropy of reaction at standard conditions

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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