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Hydrogen cyanide

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), 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.

Quantity Value Units Method Reference Comment
Deltafgas32.299kcal/molReviewChase, 1998Data last reviewed in December, 1969
Quantity Value Units Method Reference Comment
gas,1 bar48.236cal/mol*KReviewChase, 1998Data last reviewed in December, 1969

Gas Phase Heat Capacity (Shomate Equation)

Cp° = 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
    Cp = 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. - 1200.1200. - 6000.
A 7.81399012.51560
B 5.3996301.329660
C -1.044250-0.227826
D -0.0974420.013554
E -0.067495-1.807860
F 29.5126924.82130
G 55.7504158.51931
H 32.3000032.30000
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in December, 1969 Data last reviewed in December, 1969

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), 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: Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
liquid27.010cal/mol*KN/AGiauque and Ruehrwein, 1939 

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
16.97300.Giauque and Ruehrwein, 1939T = 15 to 300 K.

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil299.0 ± 0.5KAVGN/AAverage of 15 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus260. ± 1.KAVGN/AAverage of 13 out of 14 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple259.86KN/AGiauque and Ruehrwein, 1939, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
6.0270298.85N/AGiauque and Ruehrwein, 1939P = 101.325 kPa.; DH
6.72274.AStephenson and Malanowski, 1987Based on data from 259. - 299. K.; AC
6.64313.AStephenson and Malanowski, 1987Based on data from 298. - 457. K.; AC
6.72272.N/AIwasaki and Date, 1975Based on data from 257. - 315. K.; AC
6.69277.N/ALewis and Schutz, 1934Based on data from 259. - 294. K.; AC
6.64282.N/APerry and Porter, 1926Based on data from 265. - 300. K.; AC
6.72272.N/ASinozaki, Hara, et al., 1926Based on data from 257. - 319. K.; AC
6.50303.MMSinozaki, Hara, et al., 1926Based on data from 256. - 319. K.; AC

Entropy of vaporization

DeltavapS (cal/mol*K) Temperature (K) Reference Comment
20.17298.85Giauque and Ruehrwein, 1939P; DH

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
256.73 - 319.384.668461340.791-11.592Sinozaki, Hara, et al., 1926Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
8.51248.N/AStephenson and Malanowski, 1987Based on data from 236. - 259. K.; AC
8.99228.AStull, 1947Based on data from 202. - 254. K.; AC

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
2.009259.90Giauque and Ruehrwein, 1939DH

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
7.729259.90Giauque and Ruehrwein, 1939DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), 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 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- bullet Hydrogen cyanide)

By formula: CN- + CHN = (CN- bullet CHN)

Quantity Value Units Method Reference Comment
Deltar21.7 ± 3.5kcal/molIMRELarson and McMahon, 1987gas phase; B,M
Deltar20.0 ± 2.0kcal/molEstLarson and McMahon, 1984gas phase; B
Deltar20.7kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Deltar20.7kcal/molPHPMSMeot-ner, 1988gas phase; M,B,B,M
Quantity Value Units Method Reference Comment
Deltar20.6cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Deltar20.6cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Deltar20.6cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Deltar26.9cal/mol*KN/ALarson and McMahon, 1987gas phase; switching reaction,Thermochemical ladder(H2O), Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M
Quantity Value Units Method Reference Comment
Deltar14.5 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B
Deltar13.7 ± 2.3kcal/molIMRELarson and McMahon, 1987gas phase; B,M
Deltar14.5 ± 1.6kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

Fluorine anion + Hydrogen cyanide = (Fluorine anion bullet Hydrogen cyanide)

By formula: F- + CHN = (F- bullet CHN)

Quantity Value Units Method Reference Comment
Deltar39.5 ± 2.0kcal/molIMRELarson and McMahon, 1983gas 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
Deltar22.2cal/mol*KN/ALarson and McMahon, 1983gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Quantity Value Units Method Reference Comment
Deltar32.9 ± 2.0kcal/molIMRELarson and McMahon, 1983gas 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

Lithium ion (1+) + Hydrogen cyanide = (Lithium ion (1+) bullet Hydrogen cyanide)

By formula: Li+ + CHN = (Li+ bullet CHN)

Quantity Value Units Method Reference Comment
Deltar36.4kcal/molICRWoodin and Beauchamp, 1978gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M
Deltar36.kcal/molICRStaley and Beauchamp, 1975gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M
Quantity Value Units Method Reference Comment
Deltar25.cal/mol*KN/AWoodin and Beauchamp, 1978gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M
Quantity Value Units Method Reference Comment
Deltar28.kcal/molICRWoodin and Beauchamp, 1978gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M

Chlorine anion + Hydrogen cyanide = (Chlorine anion bullet Hydrogen cyanide)

By formula: Cl- + CHN = (Cl- bullet CHN)

Quantity Value Units Method Reference Comment
Deltar21.8 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,B,M
Deltar21.0 ± 2.0kcal/molIMRELarson and McMahon, 1984, 2gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar18.9cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Deltar23.7cal/mol*KN/ALarson and McMahon, 1984, 3gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
Quantity Value Units Method Reference Comment
Deltar16.2 ± 1.6kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B
Deltar16.1 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B
Deltar13.9 ± 2.0kcal/molIMRELarson and McMahon, 1984, 2gas phase; B,M

CN- + Hydrogen cation = Hydrogen cyanide

By formula: CN- + H+ = CHN

Quantity Value Units Method Reference Comment
Deltar349.8 ± 1.0kcal/molCIDTAkin and Ervin, 2006gas phase; B
Deltar350.50 ± 0.17kcal/molD-EABradforth, Kim, et al., 1993gas phase; B
Deltar351.1 ± 2.1kcal/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Deltar342.5 ± 1.1kcal/molH-TSAkin and Ervin, 2006gas phase; B
Deltar343.17 ± 0.27kcal/molH-TSBradforth, Kim, et al., 1993gas phase; B
Deltar343.8 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B

HCO2 anion + Hydrogen cyanide = (HCO2 anion bullet Hydrogen cyanide)

By formula: CHO2- + CHN = (CHO2- bullet CHN)

Quantity Value Units Method Reference Comment
Deltar22.0kcal/molPHPMSMeot-ner, 1988gas phase; M,B,M
Quantity Value Units Method Reference Comment
Deltar22.cal/mol*KN/AMeot-ner, Cybulski, et al., 1988gas phase; Entropy change calculated or estimated; M
Deltar21.4cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar15.6 ± 1.6kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; Entropy of 22.0 eu assumed.; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
11.8473.PHPMSMeot-ner, Cybulski, et al., 1988gas phase; Entropy change calculated or estimated; M

(HCO2 anion bullet Hydrogen cyanide) + Hydrogen cyanide = (HCO2 anion bullet 2Hydrogen cyanide)

By formula: (CHO2- bullet CHN) + CHN = (CHO2- bullet 2CHN)

Quantity Value Units Method Reference Comment
Deltar17.8kcal/molPHPMSMeot-ner, 1988gas phase; M,B,M
Quantity Value Units Method Reference Comment
Deltar22.cal/mol*KN/AMeot-ner, Cybulski, et al., 1988gas phase; Entropy change calculated or estimated; M
Deltar23.6cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar10.70kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; Entropy estimated; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
9.6350.PHPMSMeot-ner, Cybulski, et al., 1988gas phase; Entropy change calculated or estimated; M

(NH4+ bullet 3Hydrogen cyanide bullet Ammonia) + Hydrogen cyanide = (NH4+ bullet 4Hydrogen cyanide bullet Ammonia)

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

Quantity Value Units Method Reference Comment
Deltar8.6kcal/molPHPMSDeakyne, Knuth, et al., 1994gas phase; Entropy change calculated or estimated, T = 392 in paper is error; M
Quantity Value Units Method Reference Comment
Deltar20.cal/mol*KN/ADeakyne, Knuth, et al., 1994gas phase; Entropy change calculated or estimated, T = 392 in paper is error; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
2.7292.PHPMSDeakyne, Knuth, et al., 1994gas phase; Entropy change calculated or estimated, T = 392 in paper is error; M

(Chlorine anion bullet 8Hydrogen cyanide) + Hydrogen cyanide = (Chlorine anion bullet 9Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar7.5 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; Entropy estimated; B,M
Quantity Value Units Method Reference Comment
Deltar25.cal/mol*KN/AMeot-ner, Cybulski, et al., 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar0.10kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; Entropy estimated; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
3.2171.PHPMSMeot-ner, Cybulski, et al., 1988gas phase; Entropy change calculated or estimated; M

(MeCO2 anion bullet 4Hydrogen cyanide) + Hydrogen cyanide = (MeCO2 anion bullet 5Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar9.8 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; Entropy estimated; B,M
Quantity Value Units Method Reference Comment
Deltar25.cal/mol*KN/AMeot-ner, Cybulski, et al., 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar2.40kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; Entropy estimated; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
4.5213.PHPMSMeot-ner, Cybulski, et al., 1988gas phase; Entropy change calculated or estimated; M

(CN- bullet 6Hydrogen cyanide) + Hydrogen cyanide = (CN- bullet 7Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar7.6 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; Entropy estimated; B,M
Quantity Value Units Method Reference Comment
Deltar20.cal/mol*KN/AMeot-ner, Cybulski, et al., 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar1.60kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; Entropy estimated; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
3.0238.PHPMSMeot-ner, Cybulski, et al., 1988gas phase; Entropy change calculated or estimated; M

(CN- bullet 2Hydrogen cyanide) + Hydrogen cyanide = (CN- bullet 3Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar12.6kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Deltar12.6kcal/molPHPMSMeot-ner, 1988gas phase; M,B,M
Quantity Value Units Method Reference Comment
Deltar21.2cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Deltar21.2cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Deltar21.2cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar6.30kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(CN- bullet 3Hydrogen cyanide) + Hydrogen cyanide = (CN- bullet 4Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar10.9kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Deltar10.9kcal/molPHPMSMeot-ner, 1988gas phase; M,B,M
Quantity Value Units Method Reference Comment
Deltar24.8cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Deltar24.8cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Deltar24.8cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar3.50kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(CN- bullet Hydrogen cyanide) + Hydrogen cyanide = (CN- bullet 2Hydrogen cyanide)

By formula: (CN- bullet CHN) + CHN = (CN- bullet 2CHN)

Quantity Value Units Method Reference Comment
Deltar16.4kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Deltar16.4kcal/molPHPMSMeot-ner, 1988gas phase; M,B,M
Quantity Value Units Method Reference Comment
Deltar21.8cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Deltar21.8cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Deltar21.8cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar9.90kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

CH2N+ + Hydrogen cyanide = (CH2N+ bullet Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar26.1kcal/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; «DELTA»rH, «DELTA»rS too small compared with other nitrile dimers; M
Deltar30.0kcal/molPHPMSMeot-Ner (Mautner), 1978gas phase; M
Quantity Value Units Method Reference Comment
Deltar23.0cal/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; «DELTA»rH, «DELTA»rS too small compared with other nitrile dimers; M
Deltar32.cal/mol*KPHPMSMeot-Ner (Mautner), 1978gas phase; M

(CN- bullet Water bullet 2Hydrogen cyanide) + Water = (CN- bullet 2Water bullet 2Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar8.9 ± 1.0kcal/molTDAsMeot-Ner (Mautner) M. and Speller, 1989gas phase; Entropy estimated; B,M
Quantity Value Units Method Reference Comment
Deltar20.cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Quantity Value Units Method Reference Comment
Deltar2.9 ± 1.4kcal/molTDAsMeot-Ner (Mautner) M. and Speller, 1989gas phase; Entropy estimated; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
3.7262.PHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M

(CN- bullet 3Hydrogen cyanide) + Water = (CN- bullet Water bullet 3Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar9.4 ± 1.0kcal/molTDAsMeot-Ner (Mautner) M. and Speller, 1989gas phase; Entropy estimated; B,M
Quantity Value Units Method Reference Comment
Deltar20.cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Quantity Value Units Method Reference Comment
Deltar3.4 ± 1.4kcal/molTDAsMeot-Ner (Mautner) M. and Speller, 1989gas phase; Entropy estimated; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
4.2262.PHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M

(CH2N+ bullet Hydrogen cyanide bullet Water) + Hydrogen cyanide = (CH2N+ bullet 2Hydrogen cyanide bullet Water)

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

Quantity Value Units Method Reference Comment
Deltar15.6kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar24.cal/mol*KN/AMeot-Ner (Mautner) and Speller, 1989gas phase; n, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar8.4kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n, Entropy change calculated or estimated; M

(NH4+ bullet Ammonia bullet 2Hydrogen cyanide) + Ammonia = (NH4+ bullet 2Ammonia bullet 2Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar12.9kcal/molPHPMSDeakyne, Knuth, et al., 1994gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar20.cal/mol*KN/ADeakyne, Knuth, et al., 1994gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
6.6315.PHPMSDeakyne, Knuth, et al., 1994gas phase; Entropy change calculated or estimated; M

(NH4+ bullet Hydrogen cyanide bullet 2Ammonia) + Hydrogen cyanide = (NH4+ bullet 2Hydrogen cyanide bullet 2Ammonia)

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

Quantity Value Units Method Reference Comment
Deltar11.2kcal/molPHPMSDeakyne, Knuth, et al., 1994gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar20.cal/mol*KN/ADeakyne, Knuth, et al., 1994gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
4.9315.PHPMSDeakyne, Knuth, et al., 1994gas phase; Entropy change calculated or estimated; M

(CN- bullet 4Hydrogen cyanide) + Hydrogen cyanide = (CN- bullet 5Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar9.8 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Deltar9.8kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Quantity Value Units Method Reference Comment
Deltar20.2cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Deltar20.2cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar3.80kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(NH4+ bullet Hydrogen cyanide) + Ammonia = (NH4+ bullet Ammonia bullet Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar18.8kcal/molPHPMSDeakyne, Knuth, et al., 1994gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar22.cal/mol*KN/ADeakyne, Knuth, et al., 1994gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
9.4429.PHPMSDeakyne, Knuth, et al., 1994gas phase; Entropy change calculated or estimated; M

Bromine anion + Hydrogen cyanide = (Bromine anion bullet Hydrogen cyanide)

By formula: Br- + CHN = (Br- bullet CHN)

Quantity Value Units Method Reference Comment
Deltar19.4 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Deltar16.0 ± 2.0kcal/molEstLarson and McMahon, 1984gas phase; Extrapolated from other halide data; B
Quantity Value Units Method Reference Comment
Deltar19.8cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar13.5 ± 1.6kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

C4H9O2+ + Hydrogen cyanide = (C4H9O2+ bullet Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar19.0kcal/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar23.cal/mol*KN/ASpeller and Meot-Ner (Mautner), 1985gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
7.9455.PHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; Entropy change calculated or estimated; M

C3H7+ + Hydrogen cyanide = (C3H7+ bullet Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar39.6kcal/molPHPMSMeot-Ner (Mautner) and Sieck, 1991gas phase; condensation; M
Deltar30.8kcal/molPHPMSMeot-Ner (Mautner), 1978gas phase; forms i-C3H7NCH+; M
Quantity Value Units Method Reference Comment
Deltar45.2cal/mol*KPHPMSMeot-Ner (Mautner) and Sieck, 1991gas phase; condensation; M
Deltar32.cal/mol*KPHPMSMeot-Ner (Mautner), 1978gas phase; forms i-C3H7NCH+; M

HS- + Hydrogen cyanide = (HS- bullet Hydrogen cyanide)

By formula: HS- + CHN = (HS- bullet CHN)

Quantity Value Units Method Reference Comment
Deltar21.0 ± 1.0kcal/molIMREMeot-ner, 1988gas phase; See also H2S..CN-; B,M
Quantity Value Units Method Reference Comment
Deltar20.cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar15.0 ± 1.0kcal/molIMREMeot-ner, 1988gas phase; See also H2S..CN-; B

NH4+ + Hydrogen cyanide = (NH4+ bullet Hydrogen cyanide)

By formula: H4N+ + CHN = (H4N+ bullet CHN)

Quantity Value Units Method Reference Comment
Deltar21.9kcal/molPHPMSDeakyne, Knuth, et al., 1994gas phase; M
Deltar20.5kcal/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar23.4cal/mol*KPHPMSDeakyne, Knuth, et al., 1994gas phase; M
Deltar20.2cal/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M

(CN- bullet Water bullet Hydrogen cyanide) + Water = (CN- bullet 2Water bullet Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar9.5 ± 1.0kcal/molTDAsMeot-Ner (Mautner) M. and Speller, 1989gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar17.5cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Quantity Value Units Method Reference Comment
Deltar4.2 ± 1.4kcal/molTDAsMeot-Ner (Mautner) M. and Speller, 1989gas phase; B

(CN- bullet 2Hydrogen cyanide) + Water = (CN- bullet Water bullet 2Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar7.7 ± 1.0kcal/molTDAsMeot-Ner (Mautner) M. and Speller, 1989gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar12.5cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Quantity Value Units Method Reference Comment
Deltar4.0 ± 1.4kcal/molTDAsMeot-Ner (Mautner) M. and Speller, 1989gas phase; B

(CN- bullet Hydrogen cyanide) + Water = (CN- bullet Water bullet Hydrogen cyanide)

By formula: (CN- bullet CHN) + H2O = (CN- bullet H2O bullet CHN)

Quantity Value Units Method Reference Comment
Deltar12.4 ± 1.0kcal/molTDAsMeot-Ner (Mautner) M. and Speller, 1989gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar19.7cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Quantity Value Units Method Reference Comment
Deltar6.5 ± 1.4kcal/molTDAsMeot-Ner (Mautner) M. and Speller, 1989gas phase; B

(Chlorine anion bullet 7Hydrogen cyanide) + Hydrogen cyanide = (Chlorine anion bullet 8Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar8.2 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar27.4cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar0.0 ± 2.2kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(CN- bullet Hydrogen cyanide bullet 2Water) + Hydrogen cyanide = (CN- bullet 2Hydrogen cyanide bullet 2Water)

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

Quantity Value Units Method Reference Comment
Deltar12.6kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Quantity Value Units Method Reference Comment
Deltar20.cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
7.4262.PHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M

(CN- bullet 2Hydrogen cyanide bullet Water) + Hydrogen cyanide = (CN- bullet 3Hydrogen cyanide bullet Water)

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

Quantity Value Units Method Reference Comment
Deltar12.3kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Quantity Value Units Method Reference Comment
Deltar20.cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
7.1262.PHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M

(Chlorine anion bullet 2Hydrogen cyanide) + Hydrogen cyanide = (Chlorine anion bullet 3Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar13.6 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar21.4cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar7.20kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(Chlorine anion bullet 3Hydrogen cyanide) + Hydrogen cyanide = (Chlorine anion bullet 4Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar11.2 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar23.4cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar4.20kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(Chlorine anion bullet Hydrogen cyanide) + Hydrogen cyanide = (Chlorine anion bullet 2Hydrogen cyanide)

By formula: (Cl- bullet CHN) + CHN = (Cl- bullet 2CHN)

Quantity Value Units Method Reference Comment
Deltar17.9 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar22.7cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar11.10kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(Iodide bullet 2Hydrogen cyanide) + Hydrogen cyanide = (Iodide bullet 3Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar11.2 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar21.0cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar4.90kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(Bromine anion bullet 2Hydrogen cyanide) + Hydrogen cyanide = (Bromine anion bullet 3Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar12.8 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar21.9cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar6.30kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(Bromine anion bullet 3Hydrogen cyanide) + Hydrogen cyanide = (Bromine anion bullet 4Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar10.4 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar22.1cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar3.80kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(Chlorine anion bullet 4Hydrogen cyanide) + Hydrogen cyanide = (Chlorine anion bullet 5Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar8.8 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar21.3cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar2.50kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(Chlorine anion bullet 5Hydrogen cyanide) + Hydrogen cyanide = (Chlorine anion bullet 6Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar8.7 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar24.3cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar1.50kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(Chlorine anion bullet 6Hydrogen cyanide) + Hydrogen cyanide = (Chlorine anion bullet 7Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar7.9 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar23.1cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar1.00kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(Iodide bullet 3Hydrogen cyanide) + Hydrogen cyanide = (Iodide bullet 4Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar9.2 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar20.3cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar3.20kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(Iodide bullet 4Hydrogen cyanide) + Hydrogen cyanide = (Iodide bullet 5Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar8.6 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar22.9cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar1.80kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(Iodide bullet 5Hydrogen cyanide) + Hydrogen cyanide = (Iodide bullet 6Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar7.4 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar19.9cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar1.50kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(Iodide bullet 6Hydrogen cyanide) + Hydrogen cyanide = (Iodide bullet 7Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar7.4 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar19.9cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar1.50kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(Iodide bullet 7Hydrogen cyanide) + Hydrogen cyanide = (Iodide bullet 8Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar6.8 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar21.2cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar0.50kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(Iodide bullet Hydrogen cyanide) + Hydrogen cyanide = (Iodide bullet 2Hydrogen cyanide)

By formula: (I- bullet CHN) + CHN = (I- bullet 2CHN)

Quantity Value Units Method Reference Comment
Deltar13.2 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar20.0cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar7.20kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(Bromine anion bullet 4Hydrogen cyanide) + Hydrogen cyanide = (Bromine anion bullet 5Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar8.1 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar18.5cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar2.60kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(Bromine anion bullet Hydrogen cyanide) + Hydrogen cyanide = (Bromine anion bullet 2Hydrogen cyanide)

By formula: (Br- bullet CHN) + CHN = (Br- bullet 2CHN)

Quantity Value Units Method Reference Comment
Deltar16.3 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar22.7cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar9.50kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

Henry's Law data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), 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: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/kg*bar)
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/kg*bar) d(ln(kH))/d(1/T) (K) Method Reference Comment
7.5 XN/AValue given here as quoted by missing citation.
12.5000.LN/A 
9.3 RN/A 

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), 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 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 ± 0.01eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)170.4kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity162.9kcal/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
0.00156N/AArd, Garrett, et al., 2009B
>1.00171EIAETsuda, Yokohata, et al., 1971From 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
13.71EILageot, 1972LLK
13.59 ± 0.01PIDibeler and Liston, 1968RDSH
13.60 ± 0.01PEBaker and Turner, 1968RDSH
13.73 ± 0.09EIVarsel, Morrell, et al., 1960RDSH
13.7 ± 0.1EIKusch, Hustrulid, et al., 1937RDSH
13.61PEKreile, Schweig, et al., 1982Vertical value; LBLHLM
13.607 ± 0.002PEFridh and Asbrink, 1975Vertical value; LLK
13.60PEPotts and Williams, 1974Vertical value; LLK
13.61 ± 0.01PEFrost, Lee, et al., 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C+23.8 ± 0.5?EIKusch, Hustrulid, et al., 1937RDSH
CH+21.8 ± 0.5NEIKusch, Hustrulid, et al., 1937RDSH
CN+19.43 ± 0.01HPIBerkowitz, Chupka, et al., 1969RDSH
CN+19.40 ± 0.02HPIDibeler and Liston, 1968RDSH
CN+20.1 ± 0.2HEIKusch, Hustrulid, et al., 1937RDSH
H+15.18 ± 0.02CN-PIBerkowitz, Chupka, et al., 1969RDSH
H+19.00 ± 0.01CNPIBerkowitz, Chupka, et al., 1969RDSH
NH+24.9 ± 0.5CEIKusch, Hustrulid, et al., 1937RDSH
N+25.6 ± 0.5CHEIKusch, Hustrulid, et al., 1937RDSH

De-protonation reactions

CN- + Hydrogen cation = Hydrogen cyanide

By formula: CN- + H+ = CHN

Quantity Value Units Method Reference Comment
Deltar349.8 ± 1.0kcal/molCIDTAkin and Ervin, 2006gas phase; B
Deltar350.50 ± 0.17kcal/molD-EABradforth, Kim, et al., 1993gas phase; B
Deltar351.1 ± 2.1kcal/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Deltar342.5 ± 1.1kcal/molH-TSAkin and Ervin, 2006gas phase; B
Deltar343.17 ± 0.27kcal/molH-TSBradforth, Kim, et al., 1993gas phase; B
Deltar343.8 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), 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 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

Bromine anion + Hydrogen cyanide = (Bromine anion bullet Hydrogen cyanide)

By formula: Br- + CHN = (Br- bullet CHN)

Quantity Value Units Method Reference Comment
Deltar19.4 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Deltar16.0 ± 2.0kcal/molEstLarson and McMahon, 1984gas phase; Extrapolated from other halide data; B
Quantity Value Units Method Reference Comment
Deltar19.8cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar13.5 ± 1.6kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(Bromine anion bullet Hydrogen cyanide) + Hydrogen cyanide = (Bromine anion bullet 2Hydrogen cyanide)

By formula: (Br- bullet CHN) + CHN = (Br- bullet 2CHN)

Quantity Value Units Method Reference Comment
Deltar16.3 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar22.7cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar9.50kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(Bromine anion bullet 2Hydrogen cyanide) + Hydrogen cyanide = (Bromine anion bullet 3Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar12.8 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar21.9cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar6.30kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(Bromine anion bullet 3Hydrogen cyanide) + Hydrogen cyanide = (Bromine anion bullet 4Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar10.4 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar22.1cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar3.80kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(Bromine anion bullet 4Hydrogen cyanide) + Hydrogen cyanide = (Bromine anion bullet 5Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar8.1 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar18.5cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar2.60kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

HCO2 anion + Hydrogen cyanide = (HCO2 anion bullet Hydrogen cyanide)

By formula: CHO2- + CHN = (CHO2- bullet CHN)

Quantity Value Units Method Reference Comment
Deltar22.0kcal/molPHPMSMeot-ner, 1988gas phase; M,B,M
Quantity Value Units Method Reference Comment
Deltar22.cal/mol*KN/AMeot-ner, Cybulski, et al., 1988gas phase; Entropy change calculated or estimated; M
Deltar21.4cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar15.6 ± 1.6kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; Entropy of 22.0 eu assumed.; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
11.8473.PHPMSMeot-ner, Cybulski, et al., 1988gas phase; Entropy change calculated or estimated; M

(HCO2 anion bullet Hydrogen cyanide) + Hydrogen cyanide = (HCO2 anion bullet 2Hydrogen cyanide)

By formula: (CHO2- bullet CHN) + CHN = (CHO2- bullet 2CHN)

Quantity Value Units Method Reference Comment
Deltar17.8kcal/molPHPMSMeot-ner, 1988gas phase; M,B,M
Quantity Value Units Method Reference Comment
Deltar22.cal/mol*KN/AMeot-ner, Cybulski, et al., 1988gas phase; Entropy change calculated or estimated; M
Deltar23.6cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar10.70kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; Entropy estimated; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
9.6350.PHPMSMeot-ner, Cybulski, et al., 1988gas phase; Entropy change calculated or estimated; M

CH2N+ + Hydrogen cyanide = (CH2N+ bullet Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar26.1kcal/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; «DELTA»rH, «DELTA»rS too small compared with other nitrile dimers; M
Deltar30.0kcal/molPHPMSMeot-Ner (Mautner), 1978gas phase; M
Quantity Value Units Method Reference Comment
Deltar23.0cal/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; «DELTA»rH, «DELTA»rS too small compared with other nitrile dimers; M
Deltar32.cal/mol*KPHPMSMeot-Ner (Mautner), 1978gas phase; M

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

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

Quantity Value Units Method Reference Comment
Deltar13.8kcal/molPHPMSMeot-Ner (Mautner), 1978gas phase; M
Quantity Value Units Method Reference Comment
Deltar23.cal/mol*KPHPMSMeot-Ner (Mautner), 1978gas phase; M

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

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

Quantity Value Units Method Reference Comment
Deltar11.8kcal/molPHPMSMeot-Ner (Mautner), 1978gas phase; M
Quantity Value Units Method Reference Comment
Deltar25.cal/mol*KPHPMSMeot-Ner (Mautner), 1978gas phase; M

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

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

Quantity Value Units Method Reference Comment
Deltar9.2kcal/molPHPMSMeot-Ner (Mautner), 1978gas phase; M
Quantity Value Units Method Reference Comment
Deltar26.0cal/mol*KPHPMSMeot-Ner (Mautner), 1978gas phase; M

(CH2N+ bullet Hydrogen cyanide bullet Water) + Hydrogen cyanide = (CH2N+ bullet 2Hydrogen cyanide bullet Water)

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

Quantity Value Units Method Reference Comment
Deltar15.6kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar24.cal/mol*KN/AMeot-Ner (Mautner) and Speller, 1989gas phase; n, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar8.4kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n, Entropy change calculated or estimated; M

(CH2N+ bullet Water) + Hydrogen cyanide = (CH2N+ bullet Hydrogen cyanide bullet Water)

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

Quantity Value Units Method Reference Comment
Deltar18.8kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Quantity Value Units Method Reference Comment
Deltar20.4cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M

(CH2N+ bullet 2Water) + Hydrogen cyanide = (CH2N+ bullet Hydrogen cyanide bullet 2Water)

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

Quantity Value Units Method Reference Comment
Deltar16.9kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Quantity Value Units Method Reference Comment
Deltar24.1cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M

CH2OH+ + Hydrogen cyanide = (CH2OH+ bullet Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar20.6kcal/molFATanaka, Mackay, et al., 1978gas phase; switching reaction(H2COH+)H2CO; Fehsenfeld, Dotan, et al., 1978, Cunningham, Payzant, et al., 1972; M

CH4NO+ + Hydrogen cyanide = (CH4NO+ bullet Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar19.3kcal/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar23.cal/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
9.5427.PHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M

CH5O+ + Hydrogen cyanide = (CH5O+ bullet Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar25.7kcal/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar22.1cal/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M

CH6N+ + Hydrogen cyanide = (CH6N+ bullet Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar20.8kcal/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar22.9cal/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M

CN- + Hydrogen cyanide = (CN- bullet Hydrogen cyanide)

By formula: CN- + CHN = (CN- bullet CHN)

Quantity Value Units Method Reference Comment
Deltar21.7 ± 3.5kcal/molIMRELarson and McMahon, 1987gas phase; B,M
Deltar20.0 ± 2.0kcal/molEstLarson and McMahon, 1984gas phase; B
Deltar20.7kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Deltar20.7kcal/molPHPMSMeot-ner, 1988gas phase; M,B,B,M
Quantity Value Units Method Reference Comment
Deltar20.6cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Deltar20.6cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Deltar20.6cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Deltar26.9cal/mol*KN/ALarson and McMahon, 1987gas phase; switching reaction,Thermochemical ladder(H2O), Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M
Quantity Value Units Method Reference Comment
Deltar14.5 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B
Deltar13.7 ± 2.3kcal/molIMRELarson and McMahon, 1987gas phase; B,M
Deltar14.5 ± 1.6kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(CN- bullet Hydrogen cyanide) + Hydrogen cyanide = (CN- bullet 2Hydrogen cyanide)

By formula: (CN- bullet CHN) + CHN = (CN- bullet 2CHN)

Quantity Value Units Method Reference Comment
Deltar16.4kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Deltar16.4kcal/molPHPMSMeot-ner, 1988gas phase; M,B,M
Quantity Value Units Method Reference Comment
Deltar21.8cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Deltar21.8cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Deltar21.8cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar9.90kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(CN- bullet 2Hydrogen cyanide) + Hydrogen cyanide = (CN- bullet 3Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar12.6kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Deltar12.6kcal/molPHPMSMeot-ner, 1988gas phase; M,B,M
Quantity Value Units Method Reference Comment
Deltar21.2cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Deltar21.2cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Deltar21.2cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar6.30kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(CN- bullet 3Hydrogen cyanide) + Hydrogen cyanide = (CN- bullet 4Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar10.9kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Deltar10.9kcal/molPHPMSMeot-ner, 1988gas phase; M,B,M
Quantity Value Units Method Reference Comment
Deltar24.8cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Deltar24.8cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Deltar24.8cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar3.50kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(CN- bullet 4Hydrogen cyanide) + Hydrogen cyanide = (CN- bullet 5Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar9.8 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Deltar9.8kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Quantity Value Units Method Reference Comment
Deltar20.2cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Deltar20.2cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar3.80kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(CN- bullet 5Hydrogen cyanide) + Hydrogen cyanide = (CN- bullet 6Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar8.5 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar20.4cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar2.40kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(CN- bullet 6Hydrogen cyanide) + Hydrogen cyanide = (CN- bullet 7Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar7.6 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; Entropy estimated; B,M
Quantity Value Units Method Reference Comment
Deltar20.cal/mol*KN/AMeot-ner, Cybulski, et al., 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar1.60kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; Entropy estimated; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
3.0238.PHPMSMeot-ner, Cybulski, et al., 1988gas phase; Entropy change calculated or estimated; M

(CN- bullet Hydrogen cyanide bullet Water) + Hydrogen cyanide = (CN- bullet 2Hydrogen cyanide bullet Water)

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

Quantity Value Units Method Reference Comment
Deltar13.2kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Quantity Value Units Method Reference Comment
Deltar17.8cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M

(CN- bullet Hydrogen cyanide bullet 2Water) + Hydrogen cyanide = (CN- bullet 2Hydrogen cyanide bullet 2Water)

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

Quantity Value Units Method Reference Comment
Deltar12.6kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Quantity Value Units Method Reference Comment
Deltar20.cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
7.4262.PHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M

(CN- bullet 2Hydrogen cyanide bullet Water) + Hydrogen cyanide = (CN- bullet 3Hydrogen cyanide bullet Water)

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

Quantity Value Units Method Reference Comment
Deltar12.3kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Quantity Value Units Method Reference Comment
Deltar20.cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
7.1262.PHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M

(CN- bullet 3Water) + Hydrogen cyanide = (CN- bullet Hydrogen cyanide bullet 3Water)

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

Quantity Value Units Method Reference Comment
Deltar13.1kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Quantity Value Units Method Reference Comment
Deltar20.cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
7.9262.PHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M

MeCO2 anion + Hydrogen cyanide = (MeCO2 anion bullet Hydrogen cyanide)

By formula: C2H3O2- + CHN = (C2H3O2- bullet CHN)

Quantity Value Units Method Reference Comment
Deltar22.2 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,B,M
Quantity Value Units Method Reference Comment
Deltar23.5cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M

(MeCO2 anion bullet Hydrogen cyanide) + Hydrogen cyanide = (MeCO2 anion bullet 2Hydrogen cyanide)

By formula: (C2H3O2- bullet CHN) + CHN = (C2H3O2- bullet 2CHN)

Quantity Value Units Method Reference Comment
Deltar16.6 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar20.2cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar10.60kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(MeCO2 anion bullet 2Hydrogen cyanide) + Hydrogen cyanide = (MeCO2 anion bullet 3Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar14.8 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar25.6cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar7.20kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(MeCO2 anion bullet 3Hydrogen cyanide) + Hydrogen cyanide = (MeCO2 anion bullet 4Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar12.0 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar27.2cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar3.90kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(MeCO2 anion bullet 4Hydrogen cyanide) + Hydrogen cyanide = (MeCO2 anion bullet 5Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar9.8 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; Entropy estimated; B,M
Quantity Value Units Method Reference Comment
Deltar25.cal/mol*KN/AMeot-ner, Cybulski, et al., 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar2.40kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; Entropy estimated; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
4.5213.PHPMSMeot-ner, Cybulski, et al., 1988gas phase; Entropy change calculated or estimated; M

C2H4N+ + Hydrogen cyanide = (C2H4N+ bullet Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar22.1kcal/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; CD3CNH+; M
Quantity Value Units Method Reference Comment
Deltar23.1cal/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; CD3CNH+; M

C2H5O+ + Hydrogen cyanide = (C2H5O+ bullet Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar23.0kcal/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar21.7cal/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M

C3H2N+ + Hydrogen cyanide = (C3H2N+ bullet Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar23.8kcal/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar25.6cal/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M

imidazolide anion + Hydrogen cyanide = (imidazolide anion bullet Hydrogen cyanide)

By formula: C3H3N2- + CHN = (C3H3N2- bullet CHN)

Quantity Value Units Method Reference Comment
Deltar23.9kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar21.9cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M

C3H7+ + Hydrogen cyanide = (C3H7+ bullet Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar39.6kcal/molPHPMSMeot-Ner (Mautner) and Sieck, 1991gas phase; condensation; M
Deltar30.8kcal/molPHPMSMeot-Ner (Mautner), 1978gas phase; forms i-C3H7NCH+; M
Quantity Value Units Method Reference Comment
Deltar45.2cal/mol*KPHPMSMeot-Ner (Mautner) and Sieck, 1991gas phase; condensation; M
Deltar32.cal/mol*KPHPMSMeot-Ner (Mautner), 1978gas phase; forms i-C3H7NCH+; M

C3H7O+ + Hydrogen cyanide = (C3H7O+ bullet Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar20.4kcal/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar23.6cal/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M

C3H10N+ + Hydrogen cyanide = (C3H10N+ bullet Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar16.8kcal/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar23.0cal/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M

C4H8N+ + Hydrogen cyanide = (C4H8N+ bullet Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar20.1kcal/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar22.5cal/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M

C4H9+ + Hydrogen cyanide = (C4H9+ bullet Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar16.3kcal/molPHPMSMeot-Ner (Mautner), 1978gas phase; may form t-C4H9NCH+; M
Quantity Value Units Method Reference Comment
Deltar25.cal/mol*KPHPMSMeot-Ner (Mautner), 1978gas phase; may form t-C4H9NCH+; M

C4H9O2+ + Hydrogen cyanide = (C4H9O2+ bullet Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar19.0kcal/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar23.cal/mol*KN/ASpeller and Meot-Ner (Mautner), 1985gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
7.9455.PHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; Entropy change calculated or estimated; M

C4H10NO+ + Hydrogen cyanide = (C4H10NO+ bullet Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar15.8kcal/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar22.8cal/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M

C7H11O+ + Hydrogen cyanide = (C7H11O+ bullet Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar17.6kcal/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar23.2cal/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M

C9H22N+ + Hydrogen cyanide = (C9H22N+ bullet Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar13.8kcal/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar29.0cal/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M

Chlorine anion + Hydrogen cyanide = (Chlorine anion bullet Hydrogen cyanide)

By formula: Cl- + CHN = (Cl- bullet CHN)

Quantity Value Units Method Reference Comment
Deltar21.8 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,B,M
Deltar21.0 ± 2.0kcal/molIMRELarson and McMahon, 1984, 2gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar18.9cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Deltar23.7cal/mol*KN/ALarson and McMahon, 1984, 3gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
Quantity Value Units Method Reference Comment
Deltar16.2 ± 1.6kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B
Deltar16.1 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B
Deltar13.9 ± 2.0kcal/molIMRELarson and McMahon, 1984, 2gas phase; B,M

(Chlorine anion bullet Hydrogen cyanide) + Hydrogen cyanide = (Chlorine anion bullet 2Hydrogen cyanide)

By formula: (Cl- bullet CHN) + CHN = (Cl- bullet 2CHN)

Quantity Value Units Method Reference Comment
Deltar17.9 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar22.7cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar11.10kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(Chlorine anion bullet 2Hydrogen cyanide) + Hydrogen cyanide = (Chlorine anion bullet 3Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar13.6 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar21.4cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar7.20kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(Chlorine anion bullet 3Hydrogen cyanide) + Hydrogen cyanide = (Chlorine anion bullet 4Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar11.2 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar23.4cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar4.20kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(Chlorine anion bullet 4Hydrogen cyanide) + Hydrogen cyanide = (Chlorine anion bullet 5Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar8.8 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar21.3cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar2.50kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(Chlorine anion bullet 5Hydrogen cyanide) + Hydrogen cyanide = (Chlorine anion bullet 6Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar8.7 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar24.3cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar1.50kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(Chlorine anion bullet 6Hydrogen cyanide) + Hydrogen cyanide = (Chlorine anion bullet 7Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar7.9 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar23.1cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar1.00kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(Chlorine anion bullet 7Hydrogen cyanide) + Hydrogen cyanide = (Chlorine anion bullet 8Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar8.2 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar27.4cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar0.0 ± 2.2kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(Chlorine anion bullet 8Hydrogen cyanide) + Hydrogen cyanide = (Chlorine anion bullet 9Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar7.5 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; Entropy estimated; B,M
Quantity Value Units Method Reference Comment
Deltar25.cal/mol*KN/AMeot-ner, Cybulski, et al., 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar0.10kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; Entropy estimated; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
3.2171.PHPMSMeot-ner, Cybulski, et al., 1988gas phase; Entropy change calculated or estimated; M

Fluorine anion + Hydrogen cyanide = (Fluorine anion bullet Hydrogen cyanide)

By formula: F- + CHN = (F- bullet CHN)

Quantity Value Units Method Reference Comment
Deltar39.5 ± 2.0kcal/molIMRELarson and McMahon, 1983gas 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
Deltar22.2cal/mol*KN/ALarson and McMahon, 1983gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Quantity Value Units Method Reference Comment
Deltar32.9 ± 2.0kcal/molIMRELarson and McMahon, 1983gas 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- bullet Hydrogen cyanide)

By formula: HS- + CHN = (HS- bullet CHN)

Quantity Value Units Method Reference Comment
Deltar21.0 ± 1.0kcal/molIMREMeot-ner, 1988gas phase; See also H2S..CN-; B,M
Quantity Value Units Method Reference Comment
Deltar20.cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar15.0 ± 1.0kcal/molIMREMeot-ner, 1988gas phase; See also H2S..CN-; B

(Hydronium cation bullet 2Water) + Hydrogen cyanide = (Hydronium cation bullet Hydrogen cyanide bullet 2Water)

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

Quantity Value Units Method Reference Comment
Deltar19.8kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Quantity Value Units Method Reference Comment
Deltar29.3cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M

NH4+ + Hydrogen cyanide = (NH4+ bullet Hydrogen cyanide)

By formula: H4N+ + CHN = (H4N+ bullet CHN)

Quantity Value Units Method Reference Comment
Deltar21.9kcal/molPHPMSDeakyne, Knuth, et al., 1994gas phase; M
Deltar20.5kcal/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar23.4cal/mol*KPHPMSDeakyne, Knuth, et al., 1994gas phase; M
Deltar20.2cal/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M

(NH4+ bullet Hydrogen cyanide) + Hydrogen cyanide = (NH4+ bullet 2Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar17.4kcal/molPHPMSDeakyne, Knuth, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Deltar23.4cal/mol*KPHPMSDeakyne, Knuth, et al., 1994gas phase; M

(NH4+ bullet 2Hydrogen cyanide) + Hydrogen cyanide = (NH4+ bullet 3Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar13.7kcal/molPHPMSDeakyne, Knuth, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Deltar21.5cal/mol*KPHPMSDeakyne, Knuth, et al., 1994gas phase; M

(NH4+ bullet 3Hydrogen cyanide) + Hydrogen cyanide = (NH4+ bullet 4Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar11.0kcal/molPHPMSDeakyne, Knuth, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Deltar20.9cal/mol*KPHPMSDeakyne, Knuth, et al., 1994gas phase; M

(NH4+ bullet 4Hydrogen cyanide) + Hydrogen cyanide = (NH4+ bullet 5Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar7.9kcal/molPHPMSDeakyne, Knuth, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Deltar18.9cal/mol*KPHPMSDeakyne, Knuth, et al., 1994gas phase; M

(NH4+ bullet 5Hydrogen cyanide) + Hydrogen cyanide = (NH4+ bullet 6Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar7.4kcal/molPHPMSDeakyne, Knuth, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Deltar19.9cal/mol*KPHPMSDeakyne, Knuth, et al., 1994gas phase; M

(NH4+ bullet Hydrogen cyanide bullet Ammonia) + Hydrogen cyanide = (NH4+ bullet 2Hydrogen cyanide bullet Ammonia)

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

Quantity Value Units Method Reference Comment
Deltar12.2kcal/molPHPMSDeakyne, Knuth, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Deltar19.4cal/mol*KPHPMSDeakyne, Knuth, et al., 1994gas phase; M

(NH4+ bullet Hydrogen cyanide bullet 2Ammonia) + Hydrogen cyanide = (NH4+ bullet 2Hydrogen cyanide bullet 2Ammonia)

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

Quantity Value Units Method Reference Comment
Deltar11.2kcal/molPHPMSDeakyne, Knuth, et al., 1994gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar20.cal/mol*KN/ADeakyne, Knuth, et al., 1994gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
4.9315.PHPMSDeakyne, Knuth, et al., 1994gas phase; Entropy change calculated or estimated; M

(NH4+ bullet 2Hydrogen cyanide bullet Ammonia) + Hydrogen cyanide = (NH4+ bullet 3Hydrogen cyanide bullet Ammonia)

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

Quantity Value Units Method Reference Comment
Deltar12.8kcal/molPHPMSDeakyne, Knuth, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Deltar24.1cal/mol*KPHPMSDeakyne, Knuth, et al., 1994gas phase; M

(NH4+ bullet 3Hydrogen cyanide bullet Ammonia) + Hydrogen cyanide = (NH4+ bullet 4Hydrogen cyanide bullet Ammonia)

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

Quantity Value Units Method Reference Comment
Deltar8.6kcal/molPHPMSDeakyne, Knuth, et al., 1994gas phase; Entropy change calculated or estimated, T = 392 in paper is error; M
Quantity Value Units Method Reference Comment
Deltar20.cal/mol*KN/ADeakyne, Knuth, et al., 1994gas phase; Entropy change calculated or estimated, T = 392 in paper is error; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
2.7292.PHPMSDeakyne, Knuth, et al., 1994gas phase; Entropy change calculated or estimated, T = 392 in paper is error; M

(NH4+ bullet Ammonia) + Hydrogen cyanide = (NH4+ bullet Hydrogen cyanide bullet Ammonia)

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

Quantity Value Units Method Reference Comment
Deltar14.2kcal/molPHPMSDeakyne, Knuth, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Deltar18.5cal/mol*KPHPMSDeakyne, Knuth, et al., 1994gas phase; M

(NH4+ bullet 2Ammonia) + Hydrogen cyanide = (NH4+ bullet Hydrogen cyanide bullet 2Ammonia)

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

Quantity Value Units Method Reference Comment
Deltar13.4kcal/molPHPMSDeakyne, Knuth, et al., 1994gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar18.3cal/mol*KN/ADeakyne, Knuth, et al., 1994gas phase; Entropy change calculated or estimated; M

Iodide + Hydrogen cyanide = (Iodide bullet Hydrogen cyanide)

By formula: I- + CHN = (I- bullet CHN)

Quantity Value Units Method Reference Comment
Deltar16.8 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar21.2cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar10.4 ± 1.6kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(Iodide bullet Hydrogen cyanide) + Hydrogen cyanide = (Iodide bullet 2Hydrogen cyanide)

By formula: (I- bullet CHN) + CHN = (I- bullet 2CHN)

Quantity Value Units Method Reference Comment
Deltar13.2 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar20.0cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar7.20kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(Iodide bullet 2Hydrogen cyanide) + Hydrogen cyanide = (Iodide bullet 3Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar11.2 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar21.0cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar4.90kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(Iodide bullet 3Hydrogen cyanide) + Hydrogen cyanide = (Iodide bullet 4Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar9.2 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar20.3cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar3.20kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(Iodide bullet 4Hydrogen cyanide) + Hydrogen cyanide = (Iodide bullet 5Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar8.6 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar22.9cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar1.80kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(Iodide bullet 5Hydrogen cyanide) + Hydrogen cyanide = (Iodide bullet 6Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar7.4 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar19.9cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar1.50kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(Iodide bullet 6Hydrogen cyanide) + Hydrogen cyanide = (Iodide bullet 7Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar7.4 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar19.9cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar1.50kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

(Iodide bullet 7Hydrogen cyanide) + Hydrogen cyanide = (Iodide bullet 8Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Deltar6.8 ± 1.0kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar21.2cal/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar0.50kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

Lithium ion (1+) + Hydrogen cyanide = (Lithium ion (1+) bullet Hydrogen cyanide)

By formula: Li+ + CHN = (Li+ bullet CHN)

Quantity Value Units Method Reference Comment
Deltar36.4kcal/molICRWoodin and Beauchamp, 1978gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M
Deltar36.kcal/molICRStaley and Beauchamp, 1975gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M
Quantity Value Units Method Reference Comment
Deltar25.cal/mol*KN/AWoodin and Beauchamp, 1978gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M
Quantity Value Units Method Reference Comment
Deltar28.kcal/molICRWoodin and Beauchamp, 1978gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), 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: Coblentz Society, Inc.

Spectrum

A digitized version of this spectrum is not currently available.

Additional Data

View scan of original (hardcopy) spectrum.

Owner COBLENTZ SOCIETY
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Source reference COBLENTZ NO. 10480
Date Not specified, most likely prior to 1982
Instrument Not specified, most likely a prism, grating, or hybrid spectrometer.
Data processing (NO SPECTRUM, ONLY SCANNED IMAGE IS AVAILABLE)

This IR spectrum is from the Coblentz Society's evaluated infrared reference spectra collection.


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, 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

Spectrum

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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
NIST MS number 11

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), 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:   Cinftynu     Symmetry Number sigma = 1


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

«sigma»+ 1 CH str 3311  A 3311.47 S gas 3313 W liq.
«pi» 2 Bend 712  A 711.98 VS gas 712 W liq.
«sigma»+ 3 CN str 2097  A 2096.85 W gas 2089 S liq.

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
WWeak
A0~1 cm-1 uncertainty

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Giauque and Ruehrwein, 1939
Giauque, W.F.; Ruehrwein, R.A., The entropy of hydrogen cyanide. Heat capacity, heat of vaporization and vapor pressure. Hydrogen bond polymerization of the gas in chains of indefinite length, J. Am. Chem. Soc., 1939, 61, 2626-2633. [all data]

Giauque and Ruehrwein, 1939, 2
Giauque, W.F.; Ruehrwein, R.A., The Entropy of Hydrogen Cyanide. Heat Capacity, Heat of Vaporization and Vapor Pressure. Hydrogen Bond Polymerization of the Gas in Chains of Indefinite Length., J. Am. Chem. Soc., 1939, 61, 2626. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Iwasaki and Date, 1975
Iwasaki, H.; Date, K., Koatsu Gasu, 1975, 12, 374. [all data]

Lewis and Schutz, 1934
Lewis, Gilbert N.; Schutz, Philip W., THE VAPOR PRESSURE OF LIQUID AND SOLID DEUTOCYANIC ACID, J. Am. Chem. Soc., 1934, 56, 4, 1002-1002, https://doi.org/10.1021/ja01319a514 . [all data]

Perry and Porter, 1926
Perry, J.H.; Porter, Frank, THE VAPOR PRESSURES OF SOLID AND LIQUID HYDROGEN CYANIDE 1, J. Am. Chem. Soc., 1926, 48, 2, [299]-302, https://doi.org/10.1021/ja01413a001 . [all data]

Sinozaki, Hara, et al., 1926
Sinozaki, Heima; Hara, Ryozaburo; Mitsukuri, Shinroku, THE VAPOUR PRESSURES OF HYDROGEN CYANIDE, Bull. Chem. Soc. Jpn., 1926, 1, 4, 59-61, https://doi.org/10.1246/bcsj.1.59 . [all data]

Stull, 1947
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Larson and McMahon, 1987
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Notes

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