Hydrogen cyanide

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Gas phase ion energetics data

Go To: Top, Ion clustering data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes

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

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to CHN+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)13.60 ± 0.01eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)712.9kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity681.6kJ/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
Δr1464. ± 4.2kJ/molCIDTAkin and Ervin, 2006gas phase; B
Δr1466.5 ± 0.71kJ/molD-EABradforth, Kim, et al., 1993gas phase; B
Δr1469. ± 8.8kJ/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Δr1433. ± 4.6kJ/molH-TSAkin and Ervin, 2006gas phase; B
Δr1435.8 ± 1.1kJ/molH-TSBradforth, Kim, et al., 1993gas phase; B
Δr1438. ± 8.4kJ/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 ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes

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

Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

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

By formula: Br- + CHN = (Br- • CHN)

Quantity Value Units Method Reference Comment
Δr81.2 ± 4.2kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Δr66.9 ± 8.4kJ/molEstLarson and McMahon, 1984gas phase; Extrapolated from other halide data; B
Quantity Value Units Method Reference Comment
Δr82.8J/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr56.5 ± 6.7kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr68.2 ± 4.2kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr95.0J/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr39.7kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr53.6 ± 4.2kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr91.6J/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr26.4kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr43.5 ± 4.2kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr92.5J/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr15.9kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr34. ± 4.2kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr77.4J/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr10.9kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr92.0kJ/molPHPMSMeot-ner, 1988gas phase; M,B,M
Quantity Value Units Method Reference Comment
Δr92.J/mol*KN/AMeot-ner, Cybulski, et al., 1988gas phase; Entropy change calculated or estimated; M
Δr89.5J/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr65.3 ± 6.7kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; Entropy of 22.0 eu assumed.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
49.4473.PHPMSMeot-ner, Cybulski, et al., 1988gas phase; Entropy change calculated or estimated; M

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

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

Quantity Value Units Method Reference Comment
Δr74.5kJ/molPHPMSMeot-ner, 1988gas phase; M,B,M
Quantity Value Units Method Reference Comment
Δr92.J/mol*KN/AMeot-ner, Cybulski, et al., 1988gas phase; Entropy change calculated or estimated; M
Δr98.7J/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr44.77kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; Entropy estimated; B

Free energy of reaction

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

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

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

Quantity Value Units Method Reference Comment
Δr109.kJ/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; ΔrH, ΔrS too small compared with other nitrile dimers; M
Δr126.kJ/molPHPMSMeot-Ner (Mautner), 1978gas phase; M
Quantity Value Units Method Reference Comment
Δr96.2J/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; ΔrH, ΔrS too small compared with other nitrile dimers; M
Δr130.J/mol*KPHPMSMeot-Ner (Mautner), 1978gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr57.7kJ/molPHPMSMeot-Ner (Mautner), 1978gas phase; M
Quantity Value Units Method Reference Comment
Δr96.J/mol*KPHPMSMeot-Ner (Mautner), 1978gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr49.4kJ/molPHPMSMeot-Ner (Mautner), 1978gas phase; M
Quantity Value Units Method Reference Comment
Δr100.J/mol*KPHPMSMeot-Ner (Mautner), 1978gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr38.kJ/molPHPMSMeot-Ner (Mautner), 1978gas phase; M
Quantity Value Units Method Reference Comment
Δr109.J/mol*KPHPMSMeot-Ner (Mautner), 1978gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr65.3kJ/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr100.J/mol*KN/AMeot-Ner (Mautner) and Speller, 1989gas phase; n, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr35.kJ/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n, Entropy change calculated or estimated; M

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

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

Quantity Value Units Method Reference Comment
Δr78.7kJ/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Quantity Value Units Method Reference Comment
Δr85.4J/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M

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

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

Quantity Value Units Method Reference Comment
Δr70.7kJ/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Quantity Value Units Method Reference Comment
Δr101.J/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M

CH2OH+ + Hydrogen cyanide = (CH2OH+ • Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Δr86.2kJ/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+ • Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Δr80.8kJ/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr96.J/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
40.427.PHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M

CH5O+ + Hydrogen cyanide = (CH5O+ • Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Δr108.kJ/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr92.5J/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M

CH6N+ + Hydrogen cyanide = (CH6N+ • Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Δr87.0kJ/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr95.8J/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M

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

By formula: CN- + CHN = (CN- • CHN)

Quantity Value Units Method Reference Comment
Δr91. ± 15.kJ/molIMRELarson and McMahon, 1987gas phase; B,M
Δr83.7 ± 8.4kJ/molEstLarson and McMahon, 1984gas phase; B
Δr86.6kJ/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Δr86.6kJ/molPHPMSMeot-ner, 1988gas phase; M,B,B,M
Quantity Value Units Method Reference Comment
Δr86.2J/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Δr86.2J/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Δr86.2J/mol*KPHPMSMeot-ner, 1988gas phase; M
Δr113.J/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
Δr60.7 ± 4.2kJ/molTDAsMeot-ner, 1988gas phase; B
Δr57.3 ± 9.6kJ/molIMRELarson and McMahon, 1987gas phase; B,M
Δr60.7 ± 6.7kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr68.6kJ/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Δr68.6kJ/molPHPMSMeot-ner, 1988gas phase; M,B,M
Quantity Value Units Method Reference Comment
Δr91.2J/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Δr91.2J/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Δr91.2J/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr41.4kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr52.7kJ/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Δr52.7kJ/molPHPMSMeot-ner, 1988gas phase; M,B,M
Quantity Value Units Method Reference Comment
Δr88.7J/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Δr88.7J/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Δr88.7J/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr26.4kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr45.6kJ/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Δr45.6kJ/molPHPMSMeot-ner, 1988gas phase; M,B,M
Quantity Value Units Method Reference Comment
Δr104.J/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Δr104.J/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Δr104.J/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr14.6kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr41. ± 4.2kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Δr41.kJ/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Quantity Value Units Method Reference Comment
Δr84.5J/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Δr84.5J/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr15.9kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr36. ± 4.2kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr85.4J/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr10.0kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr32. ± 4.2kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; Entropy estimated; B,M
Quantity Value Units Method Reference Comment
Δr84.J/mol*KN/AMeot-ner, Cybulski, et al., 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr6.69kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; Entropy estimated; B

Free energy of reaction

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

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

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

Quantity Value Units Method Reference Comment
Δr55.2kJ/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Quantity Value Units Method Reference Comment
Δr74.5J/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M

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

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

Quantity Value Units Method Reference Comment
Δr52.7kJ/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Quantity Value Units Method Reference Comment
Δr84.J/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M

Free energy of reaction

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

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

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

Quantity Value Units Method Reference Comment
Δr51.5kJ/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Quantity Value Units Method Reference Comment
Δr84.J/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M

Free energy of reaction

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

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

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

Quantity Value Units Method Reference Comment
Δr54.8kJ/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Quantity Value Units Method Reference Comment
Δr84.J/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M

Free energy of reaction

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

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

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

Quantity Value Units Method Reference Comment
Δr92.9 ± 4.2kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,B,M
Quantity Value Units Method Reference Comment
Δr98.3J/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr69.5 ± 4.2kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr84.5J/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr44.35kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr61.9 ± 4.2kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr107.J/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr30.1kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr50.2 ± 4.2kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr114.J/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr16.3kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr41. ± 4.2kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; Entropy estimated; B,M
Quantity Value Units Method Reference Comment
Δr100.J/mol*KN/AMeot-ner, Cybulski, et al., 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr10.0kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; Entropy estimated; B

Free energy of reaction

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

C2H4N+ + Hydrogen cyanide = (C2H4N+ • Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Δr92.5kJ/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; CD3CNH+; M
Quantity Value Units Method Reference Comment
Δr96.7J/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; CD3CNH+; M

C2H5O+ + Hydrogen cyanide = (C2H5O+ • Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Δr96.2kJ/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr90.8J/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M

C3H2N+ + Hydrogen cyanide = (C3H2N+ • Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Δr99.6kJ/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr107.J/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr100.kJ/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr91.6J/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M

C3H7+ + Hydrogen cyanide = (C3H7+ • Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Δr166.kJ/molPHPMSMeot-Ner (Mautner) and Sieck, 1991gas phase; condensation; M
Δr129.kJ/molPHPMSMeot-Ner (Mautner), 1978gas phase; forms i-C3H7NCH+; M
Quantity Value Units Method Reference Comment
Δr189.J/mol*KPHPMSMeot-Ner (Mautner) and Sieck, 1991gas phase; condensation; M
Δr130.J/mol*KPHPMSMeot-Ner (Mautner), 1978gas phase; forms i-C3H7NCH+; M

C3H7O+ + Hydrogen cyanide = (C3H7O+ • Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Δr85.4kJ/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr98.7J/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M

C3H10N+ + Hydrogen cyanide = (C3H10N+ • Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Δr70.3kJ/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr96.2J/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M

C4H8N+ + Hydrogen cyanide = (C4H8N+ • Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Δr84.1kJ/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr94.1J/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M

C4H9+ + Hydrogen cyanide = (C4H9+ • Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Δr68.2kJ/molPHPMSMeot-Ner (Mautner), 1978gas phase; may form t-C4H9NCH+; M
Quantity Value Units Method Reference Comment
Δr100.J/mol*KPHPMSMeot-Ner (Mautner), 1978gas phase; may form t-C4H9NCH+; M

C4H9O2+ + Hydrogen cyanide = (C4H9O2+ • Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Δr79.5kJ/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr96.J/mol*KN/ASpeller and Meot-Ner (Mautner), 1985gas phase; Entropy change calculated or estimated; M

Free energy of reaction

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

C4H10NO+ + Hydrogen cyanide = (C4H10NO+ • Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Δr66.1kJ/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr95.4J/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M

C7H11O+ + Hydrogen cyanide = (C7H11O+ • Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Δr73.6kJ/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr97.1J/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M

C9H22N+ + Hydrogen cyanide = (C9H22N+ • Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Δr57.7kJ/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr121.J/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M

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

By formula: Cl- + CHN = (Cl- • CHN)

Quantity Value Units Method Reference Comment
Δr91.2 ± 4.2kJ/molTDAsMeot-ner, 1988gas phase; B,B,M
Δr87.9 ± 8.4kJ/molIMRELarson and McMahon, 1984, 2gas phase; B,M
Quantity Value Units Method Reference Comment
Δr79.1J/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Δr99.2J/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
Δr67.8 ± 6.7kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B
Δr67.4 ± 4.2kJ/molTDAsMeot-ner, 1988gas phase; B
Δr58.2 ± 8.4kJ/molIMRELarson and McMahon, 1984, 2gas phase; B,M

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

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

Quantity Value Units Method Reference Comment
Δr74.9 ± 4.2kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr95.0J/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr46.44kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr56.9 ± 4.2kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr89.5J/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr30.1kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr46.9 ± 4.2kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr97.9J/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr17.6kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr37. ± 4.2kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr89.1J/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr10.5kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr36. ± 4.2kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr102.J/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr6.28kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr33. ± 4.2kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr96.7J/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr4.18kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr34. ± 4.2kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr115.J/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr0.1 ± 9.2kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr31. ± 4.2kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; Entropy estimated; B,M
Quantity Value Units Method Reference Comment
Δr100.J/mol*KN/AMeot-ner, Cybulski, et al., 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr0.42kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; Entropy estimated; B

Free energy of reaction

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

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

By formula: F- + CHN = (F- • CHN)

Quantity Value Units Method Reference Comment
Δr165. ± 8.4kJ/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
Δr92.9J/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
Δr138. ± 8.4kJ/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- • Hydrogen cyanide)

By formula: HS- + CHN = (HS- • CHN)

Quantity Value Units Method Reference Comment
Δr87.9 ± 4.2kJ/molIMREMeot-ner, 1988gas phase; See also H2S..CN-; B,M
Quantity Value Units Method Reference Comment
Δr84.J/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr62.8 ± 4.2kJ/molIMREMeot-ner, 1988gas phase; See also H2S..CN-; B

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

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

Quantity Value Units Method Reference Comment
Δr82.8kJ/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Quantity Value Units Method Reference Comment
Δr123.J/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M

NH4+ + Hydrogen cyanide = (NH4+ • Hydrogen cyanide)

By formula: H4N+ + CHN = (H4N+ • CHN)

Quantity Value Units Method Reference Comment
Δr91.6kJ/molPHPMSDeakyne, Knuth, et al., 1994gas phase; M
Δr85.8kJ/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr97.9J/mol*KPHPMSDeakyne, Knuth, et al., 1994gas phase; M
Δr84.5J/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr72.8kJ/molPHPMSDeakyne, Knuth, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr97.9J/mol*KPHPMSDeakyne, Knuth, et al., 1994gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr57.3kJ/molPHPMSDeakyne, Knuth, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr90.0J/mol*KPHPMSDeakyne, Knuth, et al., 1994gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr46.0kJ/molPHPMSDeakyne, Knuth, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr87.4J/mol*KPHPMSDeakyne, Knuth, et al., 1994gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr33.kJ/molPHPMSDeakyne, Knuth, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr79.1J/mol*KPHPMSDeakyne, Knuth, et al., 1994gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr31.kJ/molPHPMSDeakyne, Knuth, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr83.3J/mol*KPHPMSDeakyne, Knuth, et al., 1994gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr51.0kJ/molPHPMSDeakyne, Knuth, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr81.2J/mol*KPHPMSDeakyne, Knuth, et al., 1994gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr46.9kJ/molPHPMSDeakyne, Knuth, et al., 1994gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr84.J/mol*KN/ADeakyne, Knuth, et al., 1994gas phase; Entropy change calculated or estimated; M

Free energy of reaction

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

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

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

Quantity Value Units Method Reference Comment
Δr53.6kJ/molPHPMSDeakyne, Knuth, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr101.J/mol*KPHPMSDeakyne, Knuth, et al., 1994gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr36.kJ/molPHPMSDeakyne, Knuth, et al., 1994gas phase; Entropy change calculated or estimated, T = 392 in paper is error; M
Quantity Value Units Method Reference Comment
Δr84.J/mol*KN/ADeakyne, Knuth, et al., 1994gas phase; Entropy change calculated or estimated, T = 392 in paper is error; M

Free energy of reaction

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

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

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

Quantity Value Units Method Reference Comment
Δr59.4kJ/molPHPMSDeakyne, Knuth, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr77.4J/mol*KPHPMSDeakyne, Knuth, et al., 1994gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr56.1kJ/molPHPMSDeakyne, Knuth, et al., 1994gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr76.6J/mol*KN/ADeakyne, Knuth, et al., 1994gas phase; Entropy change calculated or estimated; M

Iodide + Hydrogen cyanide = (Iodide • Hydrogen cyanide)

By formula: I- + CHN = (I- • CHN)

Quantity Value Units Method Reference Comment
Δr70.3 ± 4.2kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr88.7J/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr43.5 ± 6.7kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr55.2 ± 4.2kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr83.7J/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr30.1kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr46.9 ± 4.2kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr87.9J/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr20.5kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr38. ± 4.2kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr84.9J/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr13.4kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr36. ± 4.2kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr95.8J/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr7.53kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr31. ± 4.2kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr83.3J/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr6.28kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr31. ± 4.2kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr83.3J/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr6.28kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr28. ± 4.2kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr88.7J/mol*KPHPMSMeot-ner, Cybulski, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr2.1kJ/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; B

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

By formula: Li+ + CHN = (Li+ • CHN)

Quantity Value Units Method Reference Comment
Δr152.kJ/molICRWoodin and Beauchamp, 1978gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M
Δr150.kJ/molICRStaley and Beauchamp, 1975gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M
Quantity Value Units Method Reference Comment
Δr100.J/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
Δr120.kJ/molICRWoodin and Beauchamp, 1978gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M

Mass spectrum (electron ionization)

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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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NIST MS number 11

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Gas Chromatography

Go To: Top, Gas phase ion energetics data, Ion clustering data, 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: 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
CapillaryCP Sil 5 CB20.319.9Do and Raulin, 199225. m/0.15 mm/2. μm, H2
CapillaryPoraPLOT Q160.300.Do and Raulin, 198910. 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
CapillaryPolydimethyl siloxane320.Staples, 2006Program: not specified

References

Go To: Top, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Gas Chromatography, Notes

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

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Ard, Garrett, et al., 2009
Ard, S.; Garrett, W.R.; Compton, R.N.; Adamowicz, L.; Stepanian, S.G., Rotational states of dipole-bound anions of hydrogen cyanide., Chem. Phys. Lett., 2009, 473, 4-6, 223, https://doi.org/10.1016/j.cplett.2009.04.007 . [all data]

Tsuda, Yokohata, et al., 1971
Tsuda, S.; Yokohata, A.; Umaba, T., Measurement of negative ions formed by electron impact. VIII. Ionization efficiency curves of negative ions from methyl and ethyl cyanides, Bull. Chem. Soc. Jpn., 1971, 44, 1486. [all data]

Lageot, 1972
Lageot, C., Etude des etats excites de l'ion HCN+, J. Chim. Phys. Phys.-Chim. Biol., 1972, 68, 214. [all data]

Dibeler and Liston, 1968
Dibeler, V.H.; Liston, S.K., Mass-spectrometric study of photoionization. IX. Hydrogen cyanide and acetonitrile, J. Chem. Phys., 1968, 48, 4765. [all data]

Baker and Turner, 1968
Baker, C.; Turner, D.W., High resolution molecular photoelectron spectroscopy. III.Acetylenes and azaacetylenes, Proc. Roy. Soc. (London), 1968, A308, 19. [all data]

Varsel, Morrell, et al., 1960
Varsel, C.J.; Morrell, F.A.; Resnik, F.E.; Powell, W.A., Qualitative and quantitative analysis of organic compounds. Use of low-voltage mass spectrometry, Anal. Chem., 1960, 32, 182. [all data]

Kusch, Hustrulid, et al., 1937
Kusch, P.; Hustrulid, A.; Tate, J.T., The dissociation of HCN, C2H2, C2N2 and C2H4 by electron impact, Phys. Rev., 1937, 52, 843. [all data]

Kreile, Schweig, et al., 1982
Kreile, J.; Schweig, A.; Thiel, W., Experimental and theoretical investigation of the photoionization of hydrogen cyanide, Chem. Phys. Lett., 1982, 87, 473. [all data]

Fridh and Asbrink, 1975
Fridh, C.; Asbrink, L., Photoelectron electron impact spectrum of HCN, J. Electron Spectrosc. Relat. Phenom., 1975, 7, 119. [all data]

Potts and Williams, 1974
Potts, A.W.; Williams, T.A., The observation of "forbidden" transitions in He II photoelectron spectra, J. Electron Spectrosc. Relat. Phenom., 1974, 3, 3. [all data]

Frost, Lee, et al., 1973
Frost, D.C.; Lee, S.T.; McDowell, C.A., The photoelectron spectrum of HCP and comments on the first photoelectron band of HCN, Chem. Phys. Lett., 1973, 23, 472. [all data]

Berkowitz, Chupka, et al., 1969
Berkowitz, J.; Chupka, W.A.; Walter, T.A., Photoionization of HCN: the electron affinity and heat of formation of CN, J. Chem. Phys., 1969, 50, 1497. [all data]

Akin and Ervin, 2006
Akin, F.A.; Ervin, K.M., Collision-induced dissociation of HS-(HCN): Unsymmetrical hydrogen bonding in a proton-bound dimer anion, J. Phys. Chem. A, 2006, 110, 4, 1342-1349, https://doi.org/10.1021/jp0540454 . [all data]

Bradforth, Kim, et al., 1993
Bradforth, S.E.; Kim, E.H.; Arnold, D.W.; Neumark, D.M., Photoelectron Spectroscopy of CN-, NCO-, and NCS-, J. Chem. Phys., 1993, 98, 2, 800, https://doi.org/10.1063/1.464244 . [all data]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]

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]

Larson and McMahon, 1984
Larson, J.W.; McMahon, T.B., Gas phase bihalide and pseudohalide ions. An ICR determination of hydrogen bond energies in XHY- species (X,Y = F, Cl, Br, CN), Inorg. Chem., 1984, 23, 2029. [all data]

Meot-ner, 1988
Meot-ner, M., Ionic Hydrogen Bond and Ion Solvation. 6. Interaction Energies of the Acetate Ion with Organic Molecules. Comparison of CH3COO- with Cl-, CN-, and SH-, J. Am. Chem. Soc., 1988, 110, 12, 3854, https://doi.org/10.1021/ja00220a022 . [all data]

Speller and Meot-Ner (Mautner), 1985
Speller, C.V.; Meot-Ner (Mautner), M., The Ionic Hydrogen Bond and Ion Solvation. 3. Bonds Involving Cyanides. Correlations with Proton Affinites, J. Phys. Chem., 1985, 81, 24, 5217, https://doi.org/10.1021/j100270a020 . [all data]

Meot-Ner (Mautner), 1978
Meot-Ner (Mautner), M., Solvation of the Proton by HCN and CH3CN. Condensation of HCN with Ions in the Gas Phase., J. Am. Chem. Soc., 1978, 100, 15, 4694, https://doi.org/10.1021/ja00483a012 . [all data]

Meot-Ner (Mautner) and Speller, 1989
Meot-Ner (Mautner), M.; Speller, C.V., Multicomponent Cluster Ions.3. Comparative Stabilities of Cationic and Anionic Hydrogen Bonded Networks. Mixed Clusters of Water and Hydrogen Cyanide, J. Phys. Chem., 1989, 93, 6580. [all data]

Tanaka, Mackay, et al., 1978
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]

Fehsenfeld, Dotan, et al., 1978
Fehsenfeld, F.C.; Dotan, I.; Albritton, D.L.; Howard, C.J.; Ferguson, E.E., Stratospheric Positive Ion Chemistry of Formaldehyde and Methanol, J. Geophys. Res., 1978, 83, C3, 1333, https://doi.org/10.1029/JC083iC03p01333 . [all data]

Cunningham, Payzant, et al., 1972
Cunningham, A.J.; Payzant, J.D.; Kebarle, P., A Kinetic Study of the Proton Hydrate H+(H2O)n Equilibria in the Gas Phase, J. Am. Chem. Soc., 1972, 94, 22, 7627, https://doi.org/10.1021/ja00777a003 . [all data]

Larson and McMahon, 1987
Larson, J.W.; McMahon, T.B., Hydrogen bonding in gas phase anions. The energetics of interaction between cyanide ion and bronsted acids, J. Am. Chem. Soc., 1987, 109, 6230. [all data]

Payzant, Yamdagni, et al., 1971
Payzant, J.D.; Yamdagni, R.; Kebarle, P., Hydration of CN-, NO2-, NO3-, and HO- in the gas phase, Can. J. Chem., 1971, 49, 3308. [all data]

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]

Meot-Ner (Mautner) and Sieck, 1991
Meot-Ner (Mautner), M.; Sieck, L.W., Proton affinity ladders from variable-temperature equilibrium measurements. 1. A reevaluation of the upper proton affinity range, J. Am. Chem. Soc., 1991, 113, 12, 4448, https://doi.org/10.1021/ja00012a012 . [all data]

Larson and McMahon, 1984, 2
Larson, J.W.; McMahon, T.B., Hydrogen bonding in gas phase anions. An experimental investigation of the interaction between chloride ion and bronsted acids from ICR chloride exchange equilibria, J. Am. Chem. Soc., 1984, 106, 517. [all data]

Larson and McMahon, 1984, 3
Larson, J.W.; McMahon, T.B., Gas phase negative ion chemistry of alkylchloroformates, Can. J. Chem., 1984, 62, 675. [all data]

French, Ikuta, et al., 1982
French, M.A.; Ikuta, S.; Kebarle, P., Hydrogen bonding of O-H and C-H hydrogen donors to Cl-. Results from mass spectrometric measurement of the ion-molecule equilibria RH + Cl- = RHCl-, Can. J. Chem., 1982, 60, 1907. [all data]

Larson and McMahon, 1983
Larson, J.W.; McMahon, T.B., Strong hydrogen bonding in gas-phase anions. An ion cyclotron resonance determination of fluoride binding energetics to bronsted acids from gas-phase fluoride exchange equilibria measurements, J. Am. Chem. Soc., 1983, 105, 2944. [all data]

Wenthold and Squires, 1995
Wenthold, P.G.; Squires, R.R., Bond dissociation energies of F2(-) and HF2(-). A gas-phase experimental and G2 theoretical study, J. Phys. Chem., 1995, 99, 7, 2002, https://doi.org/10.1021/j100007a034 . [all data]

Arshadi, Yamdagni, et al., 1970
Arshadi, M.; Yamdagni, R.; Kebarle, P., Hydration of Halide Negative Ions in the Gas Phase. II. Comparison of Hydration Energies for the Alkali Positive and Halide Negative Ions, J. Phys. Chem., 1970, 74, 7, 1475, https://doi.org/10.1021/j100702a014 . [all data]

Deakyne, Knuth, et al., 1994
Deakyne, C.A.; Knuth, D.M.; Speller, C.V.; Meot-Ner (Mautner), M.; Sieck, L.W., Filling of Solvent Shells about Ions. Part 3. Isomeric Clusters of (HCN)n(NH3)mH+, J. Mol. Structure (Theochem), 1994, 307, 217, https://doi.org/10.1016/0166-1280(94)80130-4 . [all data]

Woodin and Beauchamp, 1978
Woodin, R.L.; Beauchamp, J.L., Bonding of Li+ to Lewis Bases in the Gas Phase. Reversals in Methyl Substituent Effects for Different Reference Acids, J. Am. Chem. Soc., 1978, 100, 2, 501, https://doi.org/10.1021/ja00470a024 . [all data]

Dzidic and Kebarle, 1970
Dzidic, I.; Kebarle, P., Hydration of the Alkali Ions in the Gas Phase. Enthalpies and Entropies of Reactions M+(H2O)n-1 + H2O = M+(H2O)n, J. Phys. Chem., 1970, 74, 7, 1466, https://doi.org/10.1021/j100702a013 . [all data]

Staley and Beauchamp, 1975
Staley, R.H.; Beauchamp, J.L., Intrinsic Acid - Base Properties of Molecules. Binding Energies of Li+ to pi - and n - Donor Bases, J. Am. Chem. Soc., 1975, 97, 20, 5920, https://doi.org/10.1021/ja00853a050 . [all data]

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 ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Gas Chromatography, References