Hydrogen cyanide
- Formula: CHN
- Molecular weight: 27.0253
- IUPAC Standard InChIKey: LELOWRISYMNNSU-UHFFFAOYSA-N
- CAS Registry Number: 74-90-8
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Hydrocyanic acid; AC; Blausaeure (German); Carbon hydride nitride (CHN); Formic anammonide; Formonitrile; HCN; Prussic Acid; Cyclon; Acide cyanhydrique; Acido cianidrico; Aero Liquid HCN; Blausaeure; Blauwzuur; Cyaanwaterstof; Cyanwasserstoff; Cyclone B; Cyjanowodor; Evercyn; NA 1051; Prussic acid, unstabilized; Rcra waste number P063; UN 1051; Zaclondiscoids; Carbon hydride nitride; Zootic acid; Agent AC; Nitrilomethane
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- Information on this page:
- Other data available:
- Reaction thermochemistry data: reactions 1 to 50, reactions 51 to 92
- IR Spectrum
- Vibrational and/or electronic energy levels
- Gas Chromatography
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Henry's Law data, 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.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 32.299 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1969 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 48.236 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1969 |
Gas Phase Heat Capacity (Shomate Equation)
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. to 1200. | 1200. to 6000. |
---|---|---|
A | 7.813990 | 12.51560 |
B | 5.399630 | 1.329660 |
C | -1.044250 | -0.227826 |
D | -0.097442 | 0.013554 |
E | -0.067495 | -1.807860 |
F | 29.51269 | 24.82130 |
G | 55.75041 | 58.51931 |
H | 32.30000 | 32.30000 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in December, 1969 | Data last reviewed in December, 1969 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law data, 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: Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
S°liquid | 27.010 | cal/mol*K | N/A | Giauque and Ruehrwein, 1939 |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
16.97 | 300. | Giauque and Ruehrwein, 1939 | T = 15 to 300 K. |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Henry's Law data, 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 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 |
---|---|---|---|---|---|
Tboil | 299.0 ± 0.5 | K | AVG | N/A | Average of 15 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 260. ± 1. | K | AVG | N/A | Average of 13 out of 14 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 259.86 | K | N/A | Giauque and Ruehrwein, 1939, 2 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
6.0270 | 298.85 | N/A | Giauque and Ruehrwein, 1939 | P = 101.325 kPa.; DH |
6.72 | 274. | A | Stephenson and Malanowski, 1987 | Based on data from 259. to 299. K.; AC |
6.64 | 313. | A | Stephenson and Malanowski, 1987 | Based on data from 298. to 457. K.; AC |
6.72 | 272. | N/A | Iwasaki and Date, 1975 | Based on data from 257. to 315. K.; AC |
6.69 | 277. | N/A | Lewis and Schutz, 1934 | Based on data from 259. to 294. K.; AC |
6.64 | 282. | N/A | Perry and Porter, 1926 | Based on data from 265. to 300. K.; AC |
6.72 | 272. | N/A | Sinozaki, Hara, et al., 1926 | Based on data from 257. to 319. K.; AC |
6.50 | 303. | MM | Sinozaki, Hara, et al., 1926 | Based on data from 256. to 319. K.; AC |
Entropy of vaporization
ΔvapS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
20.17 | 298.85 | Giauque and Ruehrwein, 1939 | P; 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 to 319.38 | 4.66846 | 1340.791 | -11.592 | Sinozaki, Hara, et al., 1926 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
8.51 | 248. | N/A | Stephenson and Malanowski, 1987 | Based on data from 236. to 259. K.; AC |
8.99 | 228. | A | Stull, 1947 | Based on data from 202. to 254. K.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
2.009 | 259.90 | Giauque and Ruehrwein, 1939 | DH |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
7.729 | 259.90 | Giauque and Ruehrwein, 1939 | DH |
Henry's Law data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, 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: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
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)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
7.5 | X | N/A | Value given here as quoted by missing citation. | |
12. | 5000. | L | N/A | |
9.3 | R | N/A |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to CHN+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 13.60 ± 0.01 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 170.4 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 162.9 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
0.00156 | N/A | Ard, Garrett, et al., 2009 | B |
>1.00171 | EIAE | Tsuda, Yokohata, et al., 1971 | From CH3CN; G3MP2B3 calculations indicate that the anion is unbound by ca. 1 eV. Possibly C2H3- instead.; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
13.71 | EI | Lageot, 1972 | LLK |
13.59 ± 0.01 | PI | Dibeler and Liston, 1968 | RDSH |
13.60 ± 0.01 | PE | Baker and Turner, 1968 | RDSH |
13.73 ± 0.09 | EI | Varsel, Morrell, et al., 1960 | RDSH |
13.7 ± 0.1 | EI | Kusch, Hustrulid, et al., 1937 | RDSH |
13.61 | PE | Kreile, Schweig, et al., 1982 | Vertical value; LBLHLM |
13.607 ± 0.002 | PE | Fridh and Asbrink, 1975 | Vertical value; LLK |
13.60 | PE | Potts and Williams, 1974 | Vertical value; LLK |
13.61 ± 0.01 | PE | Frost, Lee, et al., 1973 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C+ | 23.8 ± 0.5 | ? | EI | Kusch, Hustrulid, et al., 1937 | RDSH |
CH+ | 21.8 ± 0.5 | N | EI | Kusch, Hustrulid, et al., 1937 | RDSH |
CN+ | 19.43 ± 0.01 | H | PI | Berkowitz, Chupka, et al., 1969 | RDSH |
CN+ | 19.40 ± 0.02 | H | PI | Dibeler and Liston, 1968 | RDSH |
CN+ | 20.1 ± 0.2 | H | EI | Kusch, Hustrulid, et al., 1937 | RDSH |
H+ | 15.18 ± 0.02 | CN- | PI | Berkowitz, Chupka, et al., 1969 | RDSH |
H+ | 19.00 ± 0.01 | CN | PI | Berkowitz, Chupka, et al., 1969 | RDSH |
NH+ | 24.9 ± 0.5 | C | EI | Kusch, Hustrulid, et al., 1937 | RDSH |
N+ | 25.6 ± 0.5 | CH | EI | Kusch, Hustrulid, et al., 1937 | RDSH |
De-protonation reactions
CN- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 349.8 ± 1.0 | kcal/mol | CIDT | Akin and Ervin, 2006 | gas phase; B |
ΔrH° | 350.50 ± 0.17 | kcal/mol | D-EA | Bradforth, Kim, et al., 1993 | gas phase; B |
ΔrH° | 351.1 ± 2.1 | kcal/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 342.5 ± 1.1 | kcal/mol | H-TS | Akin and Ervin, 2006 | gas phase; B |
ΔrG° | 343.17 ± 0.27 | kcal/mol | H-TS | Bradforth, Kim, et al., 1993 | gas phase; B |
ΔrG° | 343.8 ± 2.0 | kcal/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
Ion clustering data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics 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 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
By formula: Br- + CHN = (Br- • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.4 ± 1.0 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
ΔrH° | 16.0 ± 2.0 | kcal/mol | Est | Larson and McMahon, 1984 | gas phase; Extrapolated from other halide data; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.8 | cal/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 13.5 ± 1.6 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (Br- • CHN) + CHN = (Br- • 2CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.3 ± 1.0 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.7 | cal/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.50 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (Br- • 2CHN) + CHN = (Br- • 3CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.8 ± 1.0 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.9 | cal/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.30 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (Br- • 3CHN) + CHN = (Br- • 4CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.4 ± 1.0 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.1 | cal/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.80 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (Br- • 4CHN) + CHN = (Br- • 5CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.1 ± 1.0 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.5 | cal/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.60 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: CHO2- + CHN = (CHO2- • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 22.0 | kcal/mol | PHPMS | Meot-ner, 1988 | gas phase; M,B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | N/A | Meot-ner, Cybulski, et al., 1988 | gas phase; Entropy change calculated or estimated; M |
ΔrS° | 21.4 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 15.6 ± 1.6 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; Entropy of 22.0 eu assumed.; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
11.8 | 473. | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; Entropy change calculated or estimated; M |
By formula: (CHO2- • CHN) + CHN = (CHO2- • 2CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.8 | kcal/mol | PHPMS | Meot-ner, 1988 | gas phase; M,B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | N/A | Meot-ner, Cybulski, et al., 1988 | gas phase; Entropy change calculated or estimated; M |
ΔrS° | 23.6 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 10.70 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; Entropy estimated; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
9.6 | 350. | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; Entropy change calculated or estimated; M |
By formula: CH2N+ + CHN = (CH2N+ • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 26.1 | kcal/mol | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; ΔrH, ΔrS too small compared with other nitrile dimers; M |
ΔrH° | 30.0 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1978 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.0 | cal/mol*K | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; ΔrH, ΔrS too small compared with other nitrile dimers; M |
ΔrS° | 32. | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1978 | gas phase; M |
By formula: (CH2N+ • CHN) + CHN = (CH2N+ • 2CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.8 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1978 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1978 | gas phase; M |
By formula: (CH2N+ • 2CHN) + CHN = (CH2N+ • 3CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.8 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1978 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1978 | gas phase; M |
By formula: (CH2N+ • 3CHN) + CHN = (CH2N+ • 4CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.2 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1978 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.0 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1978 | gas phase; M |
(CH2N+ • • ) + = (CH2N+ • 2 • )
By formula: (CH2N+ • CHN • H2O) + CHN = (CH2N+ • 2CHN • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.6 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24. | cal/mol*K | N/A | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.4 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n, Entropy change calculated or estimated; M |
By formula: (CH2N+ • H2O) + CHN = (CH2N+ • CHN • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.8 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.4 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
By formula: (CH2N+ • 2H2O) + CHN = (CH2N+ • CHN • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.9 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.1 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
By formula: CH3O+ + CHN = (CH3O+ • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 20.6 | kcal/mol | FA | Tanaka, Mackay, et al., 1978 | gas phase; switching reaction(H2COH+)H2CO; Fehsenfeld, Dotan, et al., 1978, Cunningham, Payzant, et al., 1972; M |
By formula: CH4NO+ + CHN = (CH4NO+ • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.3 | kcal/mol | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
9.5 | 427. | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; M |
By formula: CH5O+ + CHN = (CH5O+ • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 25.7 | kcal/mol | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.1 | cal/mol*K | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; M |
By formula: CH6N+ + CHN = (CH6N+ • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20.8 | kcal/mol | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.9 | cal/mol*K | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; M |
By formula: CN- + CHN = (CN- • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.7 ± 3.5 | kcal/mol | IMRE | Larson and McMahon, 1987 | gas phase; B,M |
ΔrH° | 20.0 ± 2.0 | kcal/mol | Est | Larson and McMahon, 1984 | gas phase; B |
ΔrH° | 20.7 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
ΔrH° | 20.7 | kcal/mol | PHPMS | Meot-ner, 1988 | gas phase; M,B,B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.6 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
ΔrS° | 20.6 | cal/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
ΔrS° | 20.6 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
ΔrS° | 26.9 | cal/mol*K | N/A | Larson and McMahon, 1987 | gas phase; switching reaction,Thermochemical ladder(H2O), Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 14.5 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase; B |
ΔrG° | 13.7 ± 2.3 | kcal/mol | IMRE | Larson and McMahon, 1987 | gas phase; B,M |
ΔrG° | 14.5 ± 1.6 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (CN- • CHN) + CHN = (CN- • 2CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.4 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
ΔrH° | 16.4 | kcal/mol | PHPMS | Meot-ner, 1988 | gas phase; M,B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
ΔrS° | 21.8 | cal/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
ΔrS° | 21.8 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.90 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (CN- • 2CHN) + CHN = (CN- • 3CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.6 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
ΔrH° | 12.6 | kcal/mol | PHPMS | Meot-ner, 1988 | gas phase; M,B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.2 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
ΔrS° | 21.2 | cal/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
ΔrS° | 21.2 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.30 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (CN- • 3CHN) + CHN = (CN- • 4CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.9 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
ΔrH° | 10.9 | kcal/mol | PHPMS | Meot-ner, 1988 | gas phase; M,B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
ΔrS° | 24.8 | cal/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
ΔrS° | 24.8 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.50 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (CN- • 4CHN) + CHN = (CN- • 5CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.8 ± 1.0 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
ΔrH° | 9.8 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.2 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
ΔrS° | 20.2 | cal/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.80 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (CN- • 5CHN) + CHN = (CN- • 6CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.5 ± 1.0 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.4 | cal/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.40 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (CN- • 6CHN) + CHN = (CN- • 7CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.6 ± 1.0 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; Entropy estimated; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | N/A | Meot-ner, Cybulski, et al., 1988 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.60 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; Entropy estimated; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.0 | 238. | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; Entropy change calculated or estimated; M |
By formula: (CN- • CHN • H2O) + CHN = (CN- • 2CHN • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.2 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
By formula: (CN- • CHN • 2H2O) + CHN = (CN- • 2CHN • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.6 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.4 | 262. | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
By formula: (CN- • 2CHN • H2O) + CHN = (CN- • 3CHN • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.3 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.1 | 262. | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
By formula: (CN- • 3H2O) + CHN = (CN- • CHN • 3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.1 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.9 | 262. | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
By formula: C2H3O2- + CHN = (C2H3O2- • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 22.2 ± 1.0 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.5 | cal/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
By formula: (C2H3O2- • CHN) + CHN = (C2H3O2- • 2CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.6 ± 1.0 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.2 | cal/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 10.60 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (C2H3O2- • 2CHN) + CHN = (C2H3O2- • 3CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.8 ± 1.0 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.6 | cal/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.20 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (C2H3O2- • 3CHN) + CHN = (C2H3O2- • 4CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.0 ± 1.0 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.2 | cal/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.90 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (C2H3O2- • 4CHN) + CHN = (C2H3O2- • 5CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.8 ± 1.0 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; Entropy estimated; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | N/A | Meot-ner, Cybulski, et al., 1988 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.40 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; Entropy estimated; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.5 | 213. | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; Entropy change calculated or estimated; M |
By formula: C2H4N+ + CHN = (C2H4N+ • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 22.1 | kcal/mol | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; CD3CNH+; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.1 | cal/mol*K | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; CD3CNH+; M |
By formula: C2H5O+ + CHN = (C2H5O+ • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 23.0 | kcal/mol | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.7 | cal/mol*K | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; M |
By formula: C3H2N+ + CHN = (C3H2N+ • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 23.8 | kcal/mol | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.6 | cal/mol*K | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; M |
By formula: C3H3N2- + CHN = (C3H3N2- • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 23.9 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.9 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1988 | gas phase; M |
By formula: C3H7+ + CHN = (C3H7+ • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 39.6 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1991 | gas phase; condensation; M |
ΔrH° | 30.8 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1978 | gas phase; forms i-C3H7NCH+; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 45.2 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Sieck, 1991 | gas phase; condensation; M |
ΔrS° | 32. | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1978 | gas phase; forms i-C3H7NCH+; M |
By formula: C3H7O+ + CHN = (C3H7O+ • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20.4 | kcal/mol | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.6 | cal/mol*K | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; M |
By formula: C3H10N+ + CHN = (C3H10N+ • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.8 | kcal/mol | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.0 | cal/mol*K | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; M |
By formula: C4H8N+ + CHN = (C4H8N+ • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20.1 | kcal/mol | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.5 | cal/mol*K | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; M |
By formula: C4H9+ + CHN = (C4H9+ • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.3 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1978 | gas phase; may form t-C4H9NCH+; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1978 | gas phase; may form t-C4H9NCH+; M |
By formula: C4H9O2+ + CHN = (C4H9O2+ • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.0 | kcal/mol | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | N/A | Speller and Meot-Ner (Mautner), 1985 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.9 | 455. | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; Entropy change calculated or estimated; M |
By formula: C4H10NO+ + CHN = (C4H10NO+ • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.8 | kcal/mol | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.8 | cal/mol*K | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; M |
By formula: C7H11O+ + CHN = (C7H11O+ • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.6 | kcal/mol | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.2 | cal/mol*K | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; M |
By formula: C9H22N+ + CHN = (C9H22N+ • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.8 | kcal/mol | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.0 | cal/mol*K | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; M |
By formula: Cl- + CHN = (Cl- • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.8 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase; B,B,M |
ΔrH° | 21.0 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.9 | cal/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
ΔrS° | 23.7 | cal/mol*K | N/A | Larson and McMahon, 1984, 3 | gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 16.2 ± 1.6 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
ΔrG° | 16.1 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase; B |
ΔrG° | 13.9 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
By formula: (Cl- • CHN) + CHN = (Cl- • 2CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.9 ± 1.0 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.7 | cal/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 11.10 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (Cl- • 2CHN) + CHN = (Cl- • 3CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.6 ± 1.0 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.4 | cal/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.20 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (Cl- • 3CHN) + CHN = (Cl- • 4CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.2 ± 1.0 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.4 | cal/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.20 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (Cl- • 4CHN) + CHN = (Cl- • 5CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.8 ± 1.0 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.3 | cal/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.50 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (Cl- • 5CHN) + CHN = (Cl- • 6CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.7 ± 1.0 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.3 | cal/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.50 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (Cl- • 6CHN) + CHN = (Cl- • 7CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.9 ± 1.0 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.1 | cal/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.00 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (Cl- • 7CHN) + CHN = (Cl- • 8CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.2 ± 1.0 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.4 | cal/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.0 ± 2.2 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (Cl- • 8CHN) + CHN = (Cl- • 9CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.5 ± 1.0 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; Entropy estimated; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | N/A | Meot-ner, Cybulski, et al., 1988 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.10 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; Entropy estimated; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.2 | 171. | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; Entropy change calculated or estimated; M |
By formula: F- + CHN = (F- • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 39.5 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1983 | gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.2 | cal/mol*K | N/A | Larson and McMahon, 1983 | gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 32.9 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1983 | gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B,M |
By formula: HS- + CHN = (HS- • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.0 ± 1.0 | kcal/mol | IMRE | Meot-ner, 1988 | gas phase; See also H2S..CN-; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 15.0 ± 1.0 | kcal/mol | IMRE | Meot-ner, 1988 | gas phase; See also H2S..CN-; B |
By formula: (H3O+ • 2H2O) + CHN = (H3O+ • CHN • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.8 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.3 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
By formula: H4N+ + CHN = (H4N+ • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.9 | kcal/mol | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase; M |
ΔrH° | 20.5 | kcal/mol | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.4 | cal/mol*K | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase; M |
ΔrS° | 20.2 | cal/mol*K | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; M |
By formula: (H4N+ • CHN) + CHN = (H4N+ • 2CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.4 | kcal/mol | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.4 | cal/mol*K | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase; M |
By formula: (H4N+ • 2CHN) + CHN = (H4N+ • 3CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.7 | kcal/mol | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.5 | cal/mol*K | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase; M |
By formula: (H4N+ • 3CHN) + CHN = (H4N+ • 4CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.0 | kcal/mol | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.9 | cal/mol*K | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase; M |
By formula: (H4N+ • 4CHN) + CHN = (H4N+ • 5CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.9 | kcal/mol | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.9 | cal/mol*K | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase; M |
By formula: (H4N+ • 5CHN) + CHN = (H4N+ • 6CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.4 | kcal/mol | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.9 | cal/mol*K | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase; M |
By formula: (H4N+ • CHN • H3N) + CHN = (H4N+ • 2CHN • H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.2 | kcal/mol | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.4 | cal/mol*K | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase; M |
By formula: (H4N+ • CHN • 2H3N) + CHN = (H4N+ • 2CHN • 2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.2 | kcal/mol | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | N/A | Deakyne, Knuth, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.9 | 315. | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
By formula: (H4N+ • 2CHN • H3N) + CHN = (H4N+ • 3CHN • H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.8 | kcal/mol | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.1 | cal/mol*K | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase; M |
By formula: (H4N+ • 3CHN • H3N) + CHN = (H4N+ • 4CHN • H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.6 | kcal/mol | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase; Entropy change calculated or estimated, T = 392 in paper is error; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | N/A | Deakyne, Knuth, et al., 1994 | gas phase; Entropy change calculated or estimated, T = 392 in paper is error; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
2.7 | 292. | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase; Entropy change calculated or estimated, T = 392 in paper is error; M |
By formula: (H4N+ • H3N) + CHN = (H4N+ • CHN • H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.2 | kcal/mol | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.5 | cal/mol*K | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase; M |
By formula: (H4N+ • 2H3N) + CHN = (H4N+ • CHN • 2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.4 | kcal/mol | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.3 | cal/mol*K | N/A | Deakyne, Knuth, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
By formula: I- + CHN = (I- • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.8 ± 1.0 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.2 | cal/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 10.4 ± 1.6 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (I- • CHN) + CHN = (I- • 2CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.2 ± 1.0 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.0 | cal/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.20 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (I- • 2CHN) + CHN = (I- • 3CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.2 ± 1.0 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.0 | cal/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.90 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (I- • 3CHN) + CHN = (I- • 4CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.2 ± 1.0 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.3 | cal/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.20 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (I- • 4CHN) + CHN = (I- • 5CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.6 ± 1.0 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.9 | cal/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.80 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (I- • 5CHN) + CHN = (I- • 6CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.4 ± 1.0 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.9 | cal/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.50 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (I- • 6CHN) + CHN = (I- • 7CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.4 ± 1.0 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.9 | cal/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.50 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: (I- • 7CHN) + CHN = (I- • 8CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.8 ± 1.0 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.2 | cal/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.50 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
By formula: Li+ + CHN = (Li+ • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 36.4 | kcal/mol | ICR | Woodin and Beauchamp, 1978 | gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M |
ΔrH° | 36. | kcal/mol | ICR | Staley and Beauchamp, 1975 | gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | N/A | Woodin and Beauchamp, 1978 | gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 28. | kcal/mol | ICR | Woodin and Beauchamp, 1978 | gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M |
Mass spectrum (electron ionization)
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, 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 |
References
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, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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Giauque, W.F.; Ruehrwein, R.A.,
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THE VAPOR PRESSURE OF LIQUID AND SOLID DEUTOCYANIC ACID,
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Lageot, C.,
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Baker, C.; Turner, D.W.,
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Kusch, P.; Hustrulid, A.; Tate, J.T.,
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Photoelectron electron impact spectrum of HCN,
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Meot-Ner (Mautner), 1978
Meot-Ner (Mautner), M.,
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Meot-Ner (Mautner) and Speller, 1989
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Multicomponent Cluster Ions.3. Comparative Stabilities of Cationic and Anionic Hydrogen Bonded Networks. Mixed Clusters of Water and Hydrogen Cyanide,
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Tanaka, Mackay, et al., 1978
Tanaka, K.; Mackay, G.I.; Bohme, D.K.,
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Fehsenfeld, Dotan, et al., 1978
Fehsenfeld, F.C.; Dotan, I.; Albritton, D.L.; Howard, C.J.; Ferguson, E.E.,
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Cunningham, Payzant, et al., 1972
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A Kinetic Study of the Proton Hydrate H+(H2O)n Equilibria in the Gas Phase,
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Larson and McMahon, 1987
Larson, J.W.; McMahon, T.B.,
Hydrogen bonding in gas phase anions. The energetics of interaction between cyanide ion and bronsted acids,
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Payzant, Yamdagni, et al., 1971
Payzant, J.D.; Yamdagni, R.; Kebarle, P.,
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Meot-Ner (Mautner), 1988
Meot-Ner (Mautner), M.,
Models for Strong Interactions in Proteins and Enzymes. 2. Interactions of Ions with the Peptide Link and Imidazole,
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Larson and McMahon, 1984, 2
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Larson and McMahon, 1983
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Woodin, R.L.; Beauchamp, J.L.,
Bonding of Li+ to Lewis Bases in the Gas Phase. Reversals in Methyl Substituent Effects for Different Reference Acids,
J. Am. Chem. Soc., 1978, 100, 2, 501, https://doi.org/10.1021/ja00470a024
. [all data]
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]
Notes
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, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy Cp,liquid Constant pressure heat capacity of liquid EA Electron affinity IE (evaluated) Recommended ionization energy S°gas,1 bar Entropy of gas at standard conditions (1 bar) S°liquid Entropy of liquid at standard conditions T Temperature Tboil Boiling point Tfus Fusion (melting) point Ttriple Triple point temperature d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions ΔsubH Enthalpy of sublimation ΔvapH Enthalpy of vaporization ΔvapS Entropy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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