Acetonitrile
- Formula: C2H3N
- Molecular weight: 41.0519
- IUPAC Standard InChIKey: WEVYAHXRMPXWCK-UHFFFAOYSA-N
- CAS Registry Number: 75-05-8
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Cyanomethane; Ethanenitrile; Ethyl nitrile; Methane, cyano-; Methanecarbonitrile; Methyl cyanide; CH3CN; Acetonitril; Cyanure de methyl; USAF EK-488; Methylkyanid; NA 1648; NCI-C60822; Rcra waste number U003; UN 1648; Ethanonitrile
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 17.70 ± 0.088 | kcal/mol | Ccr | An and Mansson, 1983 | |
ΔfH°gas | 15.74 | kcal/mol | Ccr | Hall and Baldt, 1971 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | 9.694 ± 0.096 | kcal/mol | Ccr | An and Mansson, 1983 | ALS |
ΔfH°liquid | 7.50 | kcal/mol | Ccr | Hall and Baldt, 1971 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -300.270 ± 0.072 | kcal/mol | Ccr | An and Mansson, 1983 | ALS |
ΔcH°liquid | -298.1 ± 1.7 | kcal/mol | Ccr | Hall and Baldt, 1971 | ALS |
ΔcH°liquid | -304. | kcal/mol | Ccb | Lemoult and Jungfleisch, 1909 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 35.760 | cal/mol*K | N/A | Putnam, McEachern, et al., 1965 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
21.91 | 298.15 | Kolker, Kulikov, et al., 1992 | T = 283 to 323 K.; DH |
18.5 | 298.15 | Mirzaliev, Shakhuradov, et al., 1987 | T = 253 to 353 K. Unsmoothed experimental datum given as 1.863 kJ/kg*K at 293 K. Cp(liq) = 1.2838 + 0.0004369T/K + 5.3125x10-6T2/K2 kJ/kg*K (253 to 353 K).; DH |
19.6 | 303.15 | Guseinov and Mirzaliev, 1984 | T = 303 to 343 K. p = 0.1 MPa. Unsmoothed experimental datum given as 1.9930 kJ/kg*K.; DH |
21.9 | 298.15 | de Visser and Somsen, 1979 | DH |
21.9 | 298.15 | de Visser and Somsen, 1979 | DH |
21.9 | 298.15 | De Visser, Heuvelsland, et al., 1978 | DH |
19.7 | 297. | Hall and Baldt, 1971 | DH |
21.86 | 298.15 | Putnam, McEachern, et al., 1965 | T = 20 to 300 K.; DH |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 354.8 ± 0.4 | K | AVG | N/A | Average of 46 out of 51 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 228. ± 1. | K | AVG | N/A | Average of 14 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 229.32 | K | N/A | Putnam, McEachern, et al., 1965, 2 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 545. ± 2. | K | AVG | N/A | Average of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 48.1 ± 0.9 | atm | AVG | N/A | Average of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 7.98 | kcal/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 7.9 | kcal/mol | EB | Antosik, Galka, et al., 2004 | Based on data from 302. to 353. K.; AC |
ΔvapH° | 7.995 ± 0.050 | kcal/mol | E | An and Mansson, 1983 | ALS |
ΔvapH° | 7.9 | kcal/mol | N/A | An and Mansson, 1983 | AC |
ΔvapH° | 7.87 ± 0.01 | kcal/mol | V | Howard and Wadso, 1970 | ALS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
7.9410 | 298.15 | N/A | Putnam, McEachern, et al., 1965 | P = 11.83 kPA; DH |
7.110 | 354.7 | N/A | Majer and Svoboda, 1985 | |
7.96 | 329. | A,EB | Stephenson and Malanowski, 1987 | Based on data from 314. to 355. K. See also Meyer, Renner, et al., 1971.; AC |
8.08 | 303. | N/A | Dojcansky and Heinrich, 1974 | Based on data from 288. to 362. K.; AC |
8.32 | 315. | BG | Baldt and Hall, 1971 | Based on data from 299. to 343. K.; AC |
8.24 | 8.24 | V | Hall and Baldt, 1971 | ALS |
8.17 | 288. | N/A | Kushchenko and Mishchenko, 1968 | Based on data from 273. to 323. K.; AC |
8.10 | 290. | N/A | Putnam, McEachern, et al., 1965, 3 | Based on data from 280. to 300. K.; AC |
Entropy of vaporization
ΔvapS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
26.635 | 298.15 | Putnam, McEachern, et al., 1965 | 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 |
---|---|---|---|---|---|
288.3 to 362.3 | 4.27302 | 1355.374 | -37.853 | Dojcansky and Heinrich, 1974, 2 | Coefficents calculated by NIST from author's data. |
280.41 to 300.53 | 5.92725 | 2345.829 | 43.815 | Putnam, McEachern, et al., 1965 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
1.95 | 229.3 | Domalski and Hearing, 1996 | AC |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.2146 | 216.9 | crystaline, II | crystaline, I | Putnam, McEachern, et al., 1965 | DH |
1.952 | 229.32 | crystaline, I | liquid | Putnam, McEachern, et al., 1965 | DH |
0.191 | 218.0 | crystaline, II | crystaline, I | Martin, 1982 | DH |
1.594 | 228.7 | crystaline, I | liquid | Martin, 1982 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.989 | 216.9 | crystaline, II | crystaline, I | Putnam, McEachern, et al., 1965 | DH |
8.511 | 229.32 | crystaline, I | liquid | Putnam, McEachern, et al., 1965 | DH |
0.877 | 218.0 | crystaline, II | crystaline, I | Martin, 1982 | DH |
6.98 | 228.7 | crystaline, I | liquid | Martin, 1982 | DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
MS - José A. Martinho Simões
RCD - Robert C. Dunbar
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Reactions 1 to 50
By formula: Cl- + C2H3N = (Cl- • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15. ± 2. | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 15.7 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 15.7 | cal/mol*K | PHPMS | Yamabe, Furumiya, et al., 1986 | gas phase; M |
ΔrS° | 14.3 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
ΔrS° | 14.3 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1972 | gas phase; M |
ΔrS° | 21.4 | cal/mol*K | N/A | Larson and McMahon, 1984 | gas phase; switching reaction(Cl-)CF3H, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 10.20 ± 0.20 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
ΔrG° | 9.2 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 8.9 ± 2.6 | kcal/mol | TDAs | Yamabe, Furumiya, et al., 1986 | gas phase; B |
ΔrG° | 10.10 ± 0.20 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
ΔrG° | 9.2 ± 2.0 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
By formula: Br- + C2H3N = (Br- • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.3 ± 1.0 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
ΔrH° | 12.10 ± 0.40 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
ΔrH° | 12.90 ± 0.40 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 12.9 ± 2.0 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B,M |
ΔrH° | 12.9 | kcal/mol | HPMS | Caldwell, Masucci, et al., 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 12.2 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 16.5 | cal/mol*K | HPMS | Yamdagni and Kebarle, 1972 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.70 ± 0.20 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
ΔrG° | 8.8 ± 2.0 | kcal/mol | IMRE | Tanabe, Morgon, et al., 1996 | gas phase; Anchored to H2O..Br- of Hiraoka, Mizure, et al., 19882; B |
ΔrG° | 9.20 ± 0.70 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 8.0 ± 2.0 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
By formula: I- + C2H3N = (I- • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.9 ± 2.0 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B,M |
ΔrH° | 11.10 ± 0.40 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
ΔrH° | 11.1 ± 1.1 | kcal/mol | LPES | Dessent, Bailey, et al., 1995 | gas phase; B |
ΔrH° | 11.00 ± 0.20 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 12. | kcal/mol | PHPMS | Caldwell, Masucci, et al., 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 13.8 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 18.2 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1972 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.4 ± 2.0 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
ΔrG° | 6.6 ± 2.0 | kcal/mol | IMRE | Tanabe, Morgon, et al., 1996 | gas phase; Anchored to H2O..I- of Caldwell and Kebarle, 1984; B |
ΔrG° | 6.90 ± 0.50 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
By formula: CN- + C2H3N = (CN- • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.8 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase; B,M |
ΔrH° | 16.4 ± 3.5 | kcal/mol | IMRE | Larson and McMahon, 1987 | gas phase; B,M |
ΔrH° | 15.70 | kcal/mol | TDAs | Hiraoka, Mizure, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.7 | cal/mol*K | PHPMS | Hiraoka, Mizure, et al., 1988 | gas phase; M |
ΔrS° | 14.2 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
ΔrS° | 24.3 | cal/mol*K | N/A | Larson and McMahon, 1987 | gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.5 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase; B |
ΔrG° | 9.1 ± 2.3 | kcal/mol | IMRE | Larson and McMahon, 1987 | gas phase; B,M |
ΔrG° | 9.20 | kcal/mol | TDAs | Hiraoka, Mizure, et al., 1988 | gas phase; B |
C2H2N- + =
By formula: C2H2N- + H+ = C2H3N
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 372.9 ± 2.1 | kcal/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrH° | 369.0 ± 4.5 | kcal/mol | CIDT | Graul and Squires, 1990 | gas phase; B |
ΔrH° | 373.3 ± 2.6 | kcal/mol | G+TS | Cumming and Kebarle, 1978 | gas phase; B |
ΔrH° | 374.8 ± 2.0 | kcal/mol | D-EA | Zimmerman and Brauman, 1977 | gas phase; B |
ΔrH° | 366.6 ± 4.6 | kcal/mol | EIAE | Heni and Illenberger, 1986 | gas phase; From MeCN; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 365.2 ± 2.0 | kcal/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrG° | 365.6 ± 2.0 | kcal/mol | IMRE | Cumming and Kebarle, 1978 | gas phase; B |
ΔrG° | 367.2 ± 2.1 | kcal/mol | H-TS | Zimmerman and Brauman, 1977 | gas phase; B |
By formula: (I- • C2H3N) + C2H3N = (I- • 2C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.40 ± 0.20 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 11.10 ± 0.70 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
ΔrH° | 11.10 ± 0.40 | kcal/mol | N/A | Dessent, Bailey, et al., 1995 | gas phase; Vertical Detachment Energy: 2.25±0.08 eV.; B |
ΔrH° | 10.50 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.4 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 20.8 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1972 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.90 ± 0.80 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 4.30 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
By formula: C2H4N+ + C2H3N = (C2H4N+ • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 31.1 ± 2.3 | kcal/mol | CID | Honma, Sunderlin, et al., 1993 | gas phase; guided ion beam CID; M |
ΔrH° | 28.9 | kcal/mol | PHPMS | Allison, Cramer, et al., 1991 | gas phase; M |
ΔrH° | 29.8 | kcal/mol | PHPMS | Deakyne, Meot-Ner (Mautner), et al., 1986 | gas phase; n; M |
ΔrH° | 29.8 | kcal/mol | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; M |
ΔrH° | 30.2 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1978 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.2 | cal/mol*K | PHPMS | Allison, Cramer, et al., 1991 | gas phase; M |
ΔrS° | 24.8 | cal/mol*K | PHPMS | Deakyne, Meot-Ner (Mautner), et al., 1986 | gas phase; n; M |
ΔrS° | 24.7 | cal/mol*K | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; M |
ΔrS° | 29. | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1978 | gas phase; M |
By formula: F- + C2H3N = (F- • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 24.5 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; Discrepancy with Yamdagni and Kebarle, 1972 "not resolved; B,M |
ΔrH° | 16.0 ± 2.0 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.9 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 13.4 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1972 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 17.6 ± 3.3 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; Discrepancy with Yamdagni and Kebarle, 1972 "not resolved; B |
ΔrG° | 12.0 ± 2.0 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
By formula: (Cl- • 3C2H3N) + C2H3N = (Cl- • 4C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.90 ± 0.30 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 9.00 ± 0.80 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
ΔrH° | 6.20 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.6 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 10.8 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1972 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.9 ± 1.2 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 3.00 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
By formula: (Br- • 3C2H3N) + C2H3N = (Br- • 4C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.70 ± 0.30 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 8.50 ± 0.80 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
ΔrH° | 5.50 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.6 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 10.9 | cal/mol*K | HPMS | Yamdagni and Kebarle, 1972 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.8 ± 1.2 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 2.20 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
By formula: (Cl- • 2C2H3N) + C2H3N = (Cl- • 3C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.20 ± 0.40 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 12.00 ± 0.70 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
ΔrH° | 10.60 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.6 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 20.1 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1972 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.3 ± 1.3 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 4.60 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
By formula: (Cl- • C2H3N) + C2H3N = (Cl- • 2C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.50 ± 0.40 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 12.00 ± 0.70 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
ΔrH° | 12.20 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 16.3 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 18.9 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1972 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.6 ± 1.2 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 6.60 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
By formula: (I- • 2C2H3N) + C2H3N = (I- • 3C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.20 ± 0.20 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 9.70 ± 0.70 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
ΔrH° | 9.30 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.9 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 22.1 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1972 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.20 ± 0.80 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 2.70 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
By formula: (Br- • 2C2H3N) + C2H3N = (Br- • 3C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.20 ± 0.40 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 10.40 ± 0.70 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
ΔrH° | 10.00 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 16.7 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 21.7 | cal/mol*K | HPMS | Yamdagni and Kebarle, 1972 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.2 ± 1.3 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 3.60 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
By formula: (Br- • C2H3N) + C2H3N = (Br- • 2C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.70 ± 0.40 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 11.50 ± 0.70 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
ΔrH° | 11.80 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.0 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 20.4 | cal/mol*K | HPMS | Yamdagni and Kebarle, 1972 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.6 ± 1.3 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 5.80 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
By formula: (F- • 4C2H3N) + C2H3N = (F- • 5C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.50 ± 0.20 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 5.30 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.6 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 7.4 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1972 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.60 ± 0.80 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 3.10 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
By formula: (F- • 2C2H3N) + C2H3N = (F- • 3C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.1 ± 1.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 11.70 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.4 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 17.9 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1972 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.4 ± 2.5 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 6.40 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
By formula: (F- • C2H3N) + C2H3N = (F- • 2C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.7 ± 1.5 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 12.90 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.9 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 14.8 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1972 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 10.8 ± 3.4 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 8.50 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
By formula: (F- • 3C2H3N) + C2H3N = (F- • 4C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.80 ± 0.50 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 10.40 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.3 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 19.6 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1972 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.9 ± 1.9 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 4.50 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
By formula: C3H9Sn+ + C2H3N = (C3H9Sn+ • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 37.5 | kcal/mol | PHPMS | Stone and Splinter, 1984 | gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 31.4 | cal/mol*K | N/A | Stone and Splinter, 1984 | gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
21.0 | 525. | PHPMS | Stone and Splinter, 1984 | gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M |
(C2H4N+ • • 2
) +
= (C2H4N+ • 2
• 2
)
By formula: (C2H4N+ • H2O • 2C2H3N) + H2O = (C2H4N+ • 2H2O • 2C2H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.7 | kcal/mol | PHPMS | Deakyne, Meot-Ner (Mautner), et al., 1986 | gas phase; n, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | N/A | Deakyne, Meot-Ner (Mautner), et al., 1986 | gas phase; n, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
2.8 | 316. | PHPMS | Deakyne, Meot-Ner (Mautner), et al., 1986 | gas phase; n, Entropy change calculated or estimated; M |
By formula: C2H2N- + C2H3N = (C2H2N- • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.8 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988, 2 | gas phase; B,M |
ΔrH° | 15.70 | kcal/mol | TDAs | Hiraoka, Mizure, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.8 | cal/mol*K | PHPMS | Hiraoka, Mizure, et al., 1988 | gas phase; M |
ΔrS° | 13.4 | cal/mol*K | PHPMS | Meot-ner, 1988, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.8 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988, 2 | gas phase; B |
ΔrG° | 8.90 | kcal/mol | TDAs | Hiraoka, Mizure, et al., 1988 | gas phase; B |
By formula: (Cl- • 7C2H3N) + C2H3N = (Cl- • 8C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.20 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; Entropy estimated; B,M |
ΔrH° | 2.8 ± 1.2 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 32. | cal/mol*K | N/A | Hiraoka, Mizuse, et al., 1988 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -0.40 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; Entropy estimated; B |
(C2H4N+ • • 4
) +
= (C2H4N+ • 2
• 4
)
By formula: (C2H4N+ • C2H3N • 4H2O) + C2H3N = (C2H4N+ • 2C2H3N • 4H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.4 | kcal/mol | PHPMS | Deakyne, Meot-Ner (Mautner), et al., 1986 | gas phase; n, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | N/A | Deakyne, Meot-Ner (Mautner), et al., 1986 | gas phase; n, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.4 | 318. | PHPMS | Deakyne, Meot-Ner (Mautner), et al., 1986 | gas phase; n, Entropy change calculated or estimated; M |
By formula: (CH6N+ • 2C2H3N) + CH4S = (CH6N+ • CH4S • 2C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.8 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | N/A | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
2.4 | 270. | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; Entropy change calculated or estimated; M |
By formula: C11H10+ + C2H3N = (C11H10+ • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.3 | kcal/mol | PHPMS | El-Shall and Meot-Ner (Mautner), 1987 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | N/A | El-Shall and Meot-Ner (Mautner), 1987 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.6 | 303. | PHPMS | El-Shall and Meot-Ner (Mautner), 1987 | gas phase; Entropy change calculated or estimated; M |
By formula: (Cl- • 6C2H3N) + C2H3N = (Cl- • 7C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.40 ± 0.30 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 3.9 ± 1.1 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 30.7 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.2 ± 1.4 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
By formula: (Cl- • 4C2H3N) + C2H3N = (Cl- • 5C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.80 ± 0.20 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 5.80 ± 0.90 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.1 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.70 ± 0.80 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
By formula: (I- • 3C2H3N) + C2H3N = (I- • 4C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.80 ± 0.10 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 7.40 ± 0.80 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.3 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.00 ± 0.40 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
By formula: (I- • 4C2H3N) + C2H3N = (I- • 5C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.10 ± 0.30 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 10.60 ± 0.90 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.9 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.4 ± 1.4 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
By formula: (Cl- • 5C2H3N) + C2H3N = (Cl- • 6C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.50 ± 0.20 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 5.8 ± 1.0 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.1 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.80 ± 0.80 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
By formula: (Br- • 4C2H3N) + C2H3N = (Br- • 5C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.50 ± 0.30 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 5.80 ± 0.90 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.2 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.8 ± 1.3 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
By formula: (Br- • 5C2H3N) + C2H3N = (Br- • 6C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.00 ± 0.20 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 5.5 ± 1.0 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.5 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.20 ± 0.90 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
By formula: (Br- • 6C2H3N) + C2H3N = (Br- • 7C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.70 ± 0.30 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 3.0 ± 1.1 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.9 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.8 ± 1.3 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
By formula: (F- • 6C2H3N) + C2H3N = (F- • 7C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.50 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; Entropy estimated; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28. | cal/mol*K | N/A | Hiraoka, Mizuse, et al., 1988 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.10 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; Entropy estimated; B |
C9H9N3O3W (cr) = 0.5 (g) + 0.5
(cr) + 3
(g)
By formula: C9H9N3O3W (cr) = 0.5C6O6W (g) + 0.5W (cr) + 3C2H3N (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 46.6 | kcal/mol | TD-HFC | Adedeji, Connor, et al., 1978 | The value for the reaction enthalpy corresponds to the thermal decomposition experiments and leads to -99.2 kcal/mol for the enthalpy of formation of W(CO)3(MeCN)3(cr). The value -405.0±12.0 was recommended by the authors Adedeji, Connor, et al., 1978; MS |
By formula: C7H4N2O2- + C2H3N = (C7H4N2O2- • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.9 ± 2.0 | kcal/mol | N/A | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28.6 | cal/mol*K | PHPMS | Chowdhury, 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.1 ± 2.0 | kcal/mol | TDAs | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
By formula: C7H7NO3- + C2H3N = (C7H7NO3- • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.8 ± 2.0 | kcal/mol | N/A | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.7 | cal/mol*K | PHPMS | Chowdhury, 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.6 ± 2.0 | kcal/mol | TDAs | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
By formula: (Na+ • 4C2H3N) + C2H3N = (Na+ • 5C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.6 ± 0.8 | kcal/mol | CIDT | Valina, 2001 | CH3CN is fifth ligand; RCD |
ΔrH° | 12.7 | kcal/mol | HPMS | Davidson and Kebarle, 1976 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 41.2 | cal/mol*K | HPMS | Davidson and Kebarle, 1976 | gas phase; Entropy change is questionable; M |
C7H4F3NO2- + = (C7H4F3NO2- •
)
By formula: C7H4F3NO2- + C2H3N = (C7H4F3NO2- • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.3 ± 2.0 | kcal/mol | N/A | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.4 | cal/mol*K | PHPMS | Chowdhury, 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.4 ± 2.0 | kcal/mol | TDAs | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
By formula: (O2- • 2C2H3N) + C2H3N = (O2- • 3C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.90 ± 0.60 | kcal/mol | TDAs | Yamdagni, Payzant, et al., 1973 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.7 | cal/mol*K | PHPMS | Yamdagni, Payzant, et al., 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.50 ± 0.20 | kcal/mol | TDAs | Yamdagni, Payzant, et al., 1973 | gas phase; B |
By formula: (O2- • 3C2H3N) + C2H3N = (O2- • 4C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.50 ± 0.50 | kcal/mol | TDAs | Yamdagni, Payzant, et al., 1973 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.4 | cal/mol*K | PHPMS | Yamdagni, Payzant, et al., 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.80 ± 0.10 | kcal/mol | TDAs | Yamdagni, Payzant, et al., 1973 | gas phase; B |
By formula: (O2- • C2H3N) + C2H3N = (O2- • 2C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.20 ± 0.70 | kcal/mol | TDAs | Yamdagni, Payzant, et al., 1973 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.0 | cal/mol*K | PHPMS | Yamdagni, Payzant, et al., 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.70 ± 0.40 | kcal/mol | TDAs | Yamdagni, Payzant, et al., 1973 | gas phase; B |
By formula: (F- • 5C2H3N) + C2H3N = (F- • 6C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.70 ± 0.20 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.8 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.40 ± 0.90 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
By formula: NO2- + C2H3N = (NO2- • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.40 ± 0.10 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 15.3 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.80 ± 0.20 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
(C2H4N+ • 2 •
) +
= (C2H4N+ • 3
•
)
By formula: (C2H4N+ • 2H2O • C2H3N) + H2O = (C2H4N+ • 3H2O • C2H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.3 | kcal/mol | PHPMS | Deakyne, Meot-Ner (Mautner), et al., 1986 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.3 | cal/mol*K | PHPMS | Deakyne, Meot-Ner (Mautner), et al., 1986 | gas phase; n; M |
By formula: O2- + C2H3N = (O2- • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.40 | kcal/mol | TDAs | Yamdagni, Payzant, et al., 1973 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.4 | cal/mol*K | PHPMS | Yamdagni, Payzant, et al., 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 11.20 | kcal/mol | TDAs | Yamdagni, Payzant, et al., 1973 | gas phase; B |
(C2H4N+ • •
) +
= (C2H4N+ • 2
•
)
By formula: (C2H4N+ • H2O • C2H3N) + H2O = (C2H4N+ • 2H2O • C2H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.3 | kcal/mol | PHPMS | Deakyne, Meot-Ner (Mautner), et al., 1986 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.2 | cal/mol*K | PHPMS | Deakyne, Meot-Ner (Mautner), et al., 1986 | gas phase; n; M |
By formula: C4H4N- + C2H3N = (C4H4N- • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.8 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988, 2 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.4 | cal/mol*K | PHPMS | Meot-ner, 1988, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.8 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988, 2 | gas phase; B |
(C2H4N+ • •
) +
= (C2H4N+ • 2
•
)
By formula: (C2H4N+ • CH4O • C2H3N) + CH4O = (C2H4N+ • 2CH4O • C2H3N)
Bond type: Hydrogen bonds of the type NH+-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.7 | kcal/mol | PHPMS | El-Shall, Olafsdottir, et al., 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.1 | cal/mol*K | PHPMS | El-Shall, Olafsdottir, et al., 1991 | gas phase; M |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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 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
MM - Michael M. Meot-Ner (Mautner)
LL - Sharon G. Lias and Joel F. Liebman
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 C2H3N+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 12.20 ± 0.01 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 186.2 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 179. | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
0.01101 | EFD | Suess, Liu, et al., 2003 | B |
0.0030 ± 0.0072 | LPES | Bailey, Dessent, et al., 1996 | B |
0.01149 | EFD | Desfrancois, Abdoul-Carime, et al., 1994 | EA: 11.5 meV. Dipole-bound state.; B |
Proton affinity at 298K
Proton affinity (kcal/mol) | Reference | Comment |
---|---|---|
188.2 ± 1.4 | Williams, Denault, et al., 2001 | T = T(eff) = 498-797 KK; propionitrile, butyronitrile, valeronitrile reference compounds; MM |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
12.201 ± 0.002 | PE | Gochel-Dupuis, Delwiche, et al., 1992 | LL |
12.38 ± 0.04 | EI | Harland and McIntosh, 1985 | LBLHLM |
12.3 ± 0.25 | EI | Chess, Lapp, et al., 1982 | LBLHLM |
12.33 ± 0.08 | EI | Allam, Migahed, et al., 1982 | LBLHLM |
12.194 ± 0.005 | PI | Rider, Ray, et al., 1981 | LLK |
12.21 | PE | Kimura, Katsumata, et al., 1981 | LLK |
12.20 ± 0.01 | PE | Staley, Kleckner, et al., 1976 | LLK |
13.14 | PE | Lake and Thompson, 1970 | RDSH |
15.11 | PE | Lake and Thompson, 1970 | RDSH |
12.12 | PE | Frost, Herring, et al., 1970 | RDSH |
13.11 | PE | Frost, Herring, et al., 1970 | RDSH |
15.12 | PE | Frost, Herring, et al., 1970 | RDSH |
16.98 | PE | Frost, Herring, et al., 1970 | RDSH |
12.19 ± 0.01 | PI | Dibeler and Liston, 1968 | RDSH |
12.23 ± 0.05 | EI | Franklin, Wada, et al., 1966 | RDSH |
12.205 ± 0.004 | PI | Nicholson, 1965 | RDSH |
12.22 ± 0.01 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
12.46 | PE | Asbrink, Von Niessen, et al., 1980 | Vertical value; LLK |
12.20 | PE | Lake and Thompson, 1970 | Vertical value; RDSH |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C+ | 27.0 ± 0.3 | ? | EI | Reed and Snedden, 1956 | RDSH |
CH+ | 22.4 ± 0.2 | ? | EI | Reed and Snedden, 1956 | RDSH |
CH2+ | 15.7 | HCN | EI | Haney and Franklin, 1968 | RDSH |
CH2+ | 14.94 ± 0.02 | HCN | PI | Dibeler and Liston, 1968 | RDSH |
C2HN+ | 15.90 ± 0.08 | ? | EI | Harland and McIntosh, 1985 | LBLHLM |
C2HN+ | 15.1 ± 0.1 | H2 | PI | Dibeler and Liston, 1968 | RDSH |
C2H2N+ | 13.94 ± 0.02 | H | N/A | Holmes, Lossing, et al., 1993 | LL |
C2H2N+ | 14.38 ± 0.04 | H | EI | Harland and McIntosh, 1985 | LBLHLM |
C2H2N+ | 14.75 ± 0.08 | H | EI | Allam, Migahed, et al., 1982 | LBLHLM |
C2H2N+ | 14.01 ± 0.02 | H | PI | Dibeler and Liston, 1968 | RDSH |
C2H2N+ | 13.54 ± 0.08 | H | EI | Franklin, Wada, et al., 1966 | RDSH |
C2H2N+ | 14.28 ± 0.05 | H | EI | Pottie and Lossing, 1961 | RDSH |
C2N+ | 20.00 ± 0.08 | ? | EI | Harland and McIntosh, 1985 | LBLHLM |
De-protonation reactions
C2H2N- + =
By formula: C2H2N- + H+ = C2H3N
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 372.9 ± 2.1 | kcal/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrH° | 369.0 ± 4.5 | kcal/mol | CIDT | Graul and Squires, 1990 | gas phase; B |
ΔrH° | 373.3 ± 2.6 | kcal/mol | G+TS | Cumming and Kebarle, 1978 | gas phase; B |
ΔrH° | 374.8 ± 2.0 | kcal/mol | D-EA | Zimmerman and Brauman, 1977 | gas phase; B |
ΔrH° | 366.6 ± 4.6 | kcal/mol | EIAE | Heni and Illenberger, 1986 | gas phase; From MeCN; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 365.2 ± 2.0 | kcal/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrG° | 365.6 ± 2.0 | kcal/mol | IMRE | Cumming and Kebarle, 1978 | gas phase; B |
ΔrG° | 367.2 ± 2.1 | kcal/mol | H-TS | Zimmerman and Brauman, 1977 | gas phase; B |
Ion clustering data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics 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 as indicated in comments:
RCD - Robert C. Dunbar
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: Ag+ + C2H3N = (Ag+ • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 38.7 | kcal/mol | CIDT | Shoieb, Aribi, et al., 2001 | RCD |
By formula: (Ag+ • C2H3N) + C2H3N = (Ag+ • 2C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 34.7 | kcal/mol | CIDT | Shoieb, Aribi, et al., 2001 | RCD |
By formula: Br- + C2H3N = (Br- • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.3 ± 1.0 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
ΔrH° | 12.10 ± 0.40 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
ΔrH° | 12.90 ± 0.40 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 12.9 ± 2.0 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B,M |
ΔrH° | 12.9 | kcal/mol | HPMS | Caldwell, Masucci, et al., 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 12.2 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 16.5 | cal/mol*K | HPMS | Yamdagni and Kebarle, 1972 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.70 ± 0.20 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
ΔrG° | 8.8 ± 2.0 | kcal/mol | IMRE | Tanabe, Morgon, et al., 1996 | gas phase; Anchored to H2O..Br- of Hiraoka, Mizure, et al., 19882; B |
ΔrG° | 9.20 ± 0.70 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 8.0 ± 2.0 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
By formula: (Br- • C2H3N) + C2H3N = (Br- • 2C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.70 ± 0.40 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 11.50 ± 0.70 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
ΔrH° | 11.80 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.0 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 20.4 | cal/mol*K | HPMS | Yamdagni and Kebarle, 1972 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.6 ± 1.3 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 5.80 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
By formula: (Br- • 2C2H3N) + C2H3N = (Br- • 3C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.20 ± 0.40 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 10.40 ± 0.70 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
ΔrH° | 10.00 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 16.7 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 21.7 | cal/mol*K | HPMS | Yamdagni and Kebarle, 1972 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.2 ± 1.3 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 3.60 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
By formula: (Br- • 3C2H3N) + C2H3N = (Br- • 4C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.70 ± 0.30 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 8.50 ± 0.80 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
ΔrH° | 5.50 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.6 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 10.9 | cal/mol*K | HPMS | Yamdagni and Kebarle, 1972 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.8 ± 1.2 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 2.20 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
By formula: (Br- • 4C2H3N) + C2H3N = (Br- • 5C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.50 ± 0.30 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 5.80 ± 0.90 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.2 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.8 ± 1.3 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
By formula: (Br- • 5C2H3N) + C2H3N = (Br- • 6C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.00 ± 0.20 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 5.5 ± 1.0 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.5 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.20 ± 0.90 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
By formula: (Br- • 6C2H3N) + C2H3N = (Br- • 7C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.70 ± 0.30 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 3.0 ± 1.1 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.9 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.8 ± 1.3 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
By formula: (Br- • 7C2H3N) + C2H3N = (Br- • 8C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.7 ± 1.2 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
By formula: (Br- • 8C2H3N) + C2H3N = (Br- • 9C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.8 ± 1.4 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
By formula: (Br- • 9C2H3N) + C2H3N = (Br- • 10C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.5 ± 1.5 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
By formula: (Br- • 10C2H3N) + C2H3N = (Br- • 11C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.2 ± 1.6 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
By formula: (Br- • 11C2H3N) + C2H3N = (Br- • 12C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.2 ± 1.7 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
By formula: (Br- • 12C2H3N) + C2H3N = (Br- • 13C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 0.5 ± 1.8 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
By formula: (Br- • 13C2H3N) + C2H3N = (Br- • 14C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 0.7 ± 1.9 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
By formula: CH6N+ + C2H3N = (CH6N+ • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 26.2 | kcal/mol | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.7 | cal/mol*K | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; M |
By formula: (CH6N+ • C2H3N) + C2H3N = (CH6N+ • 2C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.6 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.6 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; M |
By formula: (CH6N+ • 2C2H3N) + C2H3N = (CH6N+ • 3C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.4 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.0 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; M |
By formula: CN- + C2H3N = (CN- • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.8 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase; B,M |
ΔrH° | 16.4 ± 3.5 | kcal/mol | IMRE | Larson and McMahon, 1987 | gas phase; B,M |
ΔrH° | 15.70 | kcal/mol | TDAs | Hiraoka, Mizure, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.7 | cal/mol*K | PHPMS | Hiraoka, Mizure, et al., 1988 | gas phase; M |
ΔrS° | 14.2 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
ΔrS° | 24.3 | cal/mol*K | N/A | Larson and McMahon, 1987 | gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.5 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase; B |
ΔrG° | 9.1 ± 2.3 | kcal/mol | IMRE | Larson and McMahon, 1987 | gas phase; B,M |
ΔrG° | 9.20 | kcal/mol | TDAs | Hiraoka, Mizure, et al., 1988 | gas phase; B |
By formula: C2H2N- + C2H3N = (C2H2N- • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.8 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988, 2 | gas phase; B,M |
ΔrH° | 15.70 | kcal/mol | TDAs | Hiraoka, Mizure, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.8 | cal/mol*K | PHPMS | Hiraoka, Mizure, et al., 1988 | gas phase; M |
ΔrS° | 13.4 | cal/mol*K | PHPMS | Meot-ner, 1988, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.8 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988, 2 | gas phase; B |
ΔrG° | 8.90 | kcal/mol | TDAs | Hiraoka, Mizure, et al., 1988 | gas phase; B |
By formula: C2H3O2- + C2H3N = (C2H3O2- • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.8 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.0 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.4 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase; B |
By formula: (C2H4N+ • CH4O) + C2H3N = (C2H4N+ • C2H3N • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 22.6 | kcal/mol | PHPMS | El-Shall, Olafsdottir, et al., 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.5 | cal/mol*K | PHPMS | El-Shall, Olafsdottir, et al., 1991 | gas phase; M |
By formula: C2H4N+ + C2H3N = (C2H4N+ • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 31.1 ± 2.3 | kcal/mol | CID | Honma, Sunderlin, et al., 1993 | gas phase; guided ion beam CID; M |
ΔrH° | 28.9 | kcal/mol | PHPMS | Allison, Cramer, et al., 1991 | gas phase; M |
ΔrH° | 29.8 | kcal/mol | PHPMS | Deakyne, Meot-Ner (Mautner), et al., 1986 | gas phase; n; M |
ΔrH° | 29.8 | kcal/mol | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; M |
ΔrH° | 30.2 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1978 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.2 | cal/mol*K | PHPMS | Allison, Cramer, et al., 1991 | gas phase; M |
ΔrS° | 24.8 | cal/mol*K | PHPMS | Deakyne, Meot-Ner (Mautner), et al., 1986 | gas phase; n; M |
ΔrS° | 24.7 | cal/mol*K | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; M |
ΔrS° | 29. | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1978 | gas phase; M |
(C2H4N+ • •
) +
= (C2H4N+ • 2
•
)
By formula: (C2H4N+ • C2H3N • CH4O) + C2H3N = (C2H4N+ • 2C2H3N • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.0 | kcal/mol | PHPMS | El-Shall, Olafsdottir, et al., 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 12.4 | cal/mol*K | PHPMS | El-Shall, Olafsdottir, et al., 1991 | gas phase; M |
(C2H4N+ • • 2
) +
= (C2H4N+ • 2
• 2
)
By formula: (C2H4N+ • C2H3N • 2CH4O) + C2H3N = (C2H4N+ • 2C2H3N • 2CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.6 | kcal/mol | PHPMS | El-Shall, Olafsdottir, et al., 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.6 | cal/mol*K | PHPMS | El-Shall, Olafsdottir, et al., 1991 | gas phase; M |
By formula: (C2H4N+ • C2H3N) + C2H3N = (C2H4N+ • 2C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.3 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1978 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19. | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1978 | gas phase; M |
(C2H4N+ • •
) +
= (C2H4N+ • 2
•
)
By formula: (C2H4N+ • C2H3N • H2O) + C2H3N = (C2H4N+ • 2C2H3N • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20.6 | kcal/mol | PHPMS | Deakyne, Meot-Ner (Mautner), et al., 1986 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.3 | cal/mol*K | PHPMS | Deakyne, Meot-Ner (Mautner), et al., 1986 | gas phase; n; M |
(C2H4N+ • • 4
) +
= (C2H4N+ • 2
• 4
)
By formula: (C2H4N+ • C2H3N • 4H2O) + C2H3N = (C2H4N+ • 2C2H3N • 4H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.4 | kcal/mol | PHPMS | Deakyne, Meot-Ner (Mautner), et al., 1986 | gas phase; n, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | N/A | Deakyne, Meot-Ner (Mautner), et al., 1986 | gas phase; n, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.4 | 318. | PHPMS | Deakyne, Meot-Ner (Mautner), et al., 1986 | gas phase; n, Entropy change calculated or estimated; M |
By formula: (C2H4N+ • H2O) + C2H3N = (C2H4N+ • C2H3N • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 23.4 | kcal/mol | PHPMS | Deakyne, Meot-Ner (Mautner), et al., 1986 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.7 | cal/mol*K | PHPMS | Deakyne, Meot-Ner (Mautner), et al., 1986 | gas phase; n; M |
By formula: C2H6NO+ + C2H3N = (C2H6NO+ • C2H3N)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
16.2 | 320. | ICR | Bromilow, Abboud, et al., 1980 | gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M |
By formula: C2H7O+ + C2H3N = (C2H7O+ • C2H3N)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
23.0 | 320. | ICR | Bromilow, Abboud, et al., 1980 | gas phase; switching reaction,n((CH3)2OH+)(CH3)2O,; Grimsrud and Kebarle, 1973; M |
By formula: C3H5O+ + C2H3N = (C3H5O+ • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.3 | kcal/mol | PHPMS | Meot-ner, 1988, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.9 | cal/mol*K | PHPMS | Meot-ner, 1988, 2 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
9.4 | 295. | FA | Mackay, Rakshit, et al., 1982 | gas phase; M |
By formula: C3H5O- + C2H3N = (C3H5O- • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.3 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988, 2 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.6 ± 2.0 | kcal/mol | TDAs | Meot-ner, 1988, 2 | gas phase; B |
By formula: C3H7O+ + C2H3N = (C3H7O+ • C2H3N)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
20.8 | 320. | ICR | Bromilow, Abboud, et al., 1980 | gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M |
By formula: C3H7O2+ + C2H3N = (C3H7O2+ • C2H3N)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
21.5 | 320. | ICR | Bromilow, Abboud, et al., 1980 | gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M |
By formula: C3H7O2+ + C2H3N = (C3H7O2+ • C2H3N)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
20.1 | 320. | ICR | Bromilow, Abboud, et al., 1980 | gas phase; n,switching reaction((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M |
By formula: C3H9O+ + C2H3N = (C3H9O+ • C2H3N)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
23.6 | 320. | ICR | Bromilow, Abboud, et al., 1980 | gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M |
By formula: C3H9Sn+ + C2H3N = (C3H9Sn+ • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 37.5 | kcal/mol | PHPMS | Stone and Splinter, 1984 | gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 31.4 | cal/mol*K | N/A | Stone and Splinter, 1984 | gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
21.0 | 525. | PHPMS | Stone and Splinter, 1984 | gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M |
By formula: C4H2O3- + C2H3N = (C4H2O3- • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.5 ± 1.6 | kcal/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
By formula: C4H4N- + C2H3N = (C4H4N- • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.8 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988, 2 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.4 | cal/mol*K | PHPMS | Meot-ner, 1988, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.8 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988, 2 | gas phase; B |
By formula: C4H6N+ + C2H3N = (C4H6N+ • C2H3N)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
20.8 | 320. | ICR | Bromilow, Abboud, et al., 1980 | gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M |
By formula: C4H7O+ + C2H3N = (C4H7O+ • C2H3N)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
22.1 | 320. | ICR | Bromilow, Abboud, et al., 1980 | gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M |
By formula: C4H9O+ + C2H3N = (C4H9O+ • C2H3N)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
20.7 | 320. | ICR | Bromilow, Abboud, et al., 1980 | gas phase; switching reaction,n((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973; M |
By formula: C4H9O2+ + C2H3N = (C4H9O2+ • C2H3N)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
22.9 | 320. | ICR | Bromilow, Abboud, et al., 1980 | gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M |
By formula: C4H9O2+ + C2H3N = (C4H9O2+ • C2H3N)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
18.9 | 320. | ICR | Bromilow, Abboud, et al., 1980 | gas phase; switching reaction((CH3)2O)H+)(CH3)2O; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M |
By formula: C4H11O+ + C2H3N = (C4H11O+ • C2H3N)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
19.6 | 320. | ICR | Bromilow, Abboud, et al., 1980 | gas phase; switching reaction(Me2O)2H+; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M |
By formula: C5HFeO5+ + C2H3N = (C5HFeO5+ • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.8 | kcal/mol | PHPMS | Allison, Cramer, et al., 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.8 | cal/mol*K | PHPMS | Allison, Cramer, et al., 1991 | gas phase; M |
By formula: C5H5- + C2H3N = (C5H5- • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.5 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988, 2 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.7 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988, 2 | gas phase; B |
By formula: C5H9O+ + C2H3N = (C5H9O+ • C2H3N)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
20.1 | 320. | ICR | Bromilow, Abboud, et al., 1980 | gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M |
By formula: C5H9O+ + C2H3N = (C5H9O+ • C2H3N)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
17.5 | 320. | ICR | Bromilow, Abboud, et al., 1980 | gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M |
By formula: C5H9O2+ + C2H3N = (C5H9O2+ • C2H3N)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
17.7 | 320. | ICR | Bromilow, Abboud, et al., 1980 | gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M |
By formula: C5H11O+ + C2H3N = (C5H11O+ • C2H3N)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
20.3 | 320. | ICR | Bromilow, Abboud, et al., 1980 | gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M |
By formula: C5H13O+ + C2H3N = (C5H13O+ • C2H3N)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
18.4 | 320. | ICR | Bromilow, Abboud, et al., 1980 | gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M |
By formula: C6F4O2- + C2H3N = (C6F4O2- • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 3.4 ± 1.6 | kcal/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.4 | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
C6H4ClNO2- + = (C6H4ClNO2- •
)
By formula: C6H4ClNO2- + C2H3N = (C6H4ClNO2- • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.7 ± 1.6 | kcal/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.7 | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
C6H4ClNO2- + = (C6H4ClNO2- •
)
By formula: C6H4ClNO2- + C2H3N = (C6H4ClNO2- • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 6.1 ± 1.6 | kcal/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.1 | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
C6H4ClNO2- + = (C6H4ClNO2- •
)
By formula: C6H4ClNO2- + C2H3N = (C6H4ClNO2- • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.9 ± 1.6 | kcal/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.9 | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
By formula: C6H4FNO2- + C2H3N = (C6H4FNO2- • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 6.1 ± 1.6 | kcal/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.1 | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
By formula: C6H4FNO2- + C2H3N = (C6H4FNO2- • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 6.3 ± 1.6 | kcal/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.3 | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
By formula: C6H4FNO2- + C2H3N = (C6H4FNO2- • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 6.0 ± 1.6 | kcal/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.0 | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
By formula: C6H4NO3- + C2H3N = (C6H4NO3- • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.7 ± 1.6 | kcal/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
By formula: C6H4NO3- + C2H3N = (C6H4NO3- • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 6.4 ± 1.6 | kcal/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
By formula: C6H4N2O4- + C2H3N = (C6H4N2O4- • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 3.2 ± 1.6 | kcal/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.2 | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
By formula: C6H4N2O4- + C2H3N = (C6H4N2O4- • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 4.8 ± 1.6 | kcal/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.8 | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
By formula: C6H4N2O4- + C2H3N = (C6H4N2O4- • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 4.3 ± 1.6 | kcal/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.3 | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
By formula: C6H4O2- + C2H3N = (C6H4O2- • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 4.8 ± 1.6 | kcal/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.8 | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
By formula: C6H5NO2- + C2H3N = (C6H5NO2- • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 6.6 ± 1.6 | kcal/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.6 | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
By formula: C6H7N+ + C2H3N = (C6H7N+ • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.3 | kcal/mol | PHPMS | Meot-Ner (Mautner) and El-Shall, 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and El-Shall, 1986 | gas phase; M |
By formula: C6H7O+ + C2H3N = (C6H7O+ • C2H3N)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
18.7 | 320. | ICR | Bromilow, Abboud, et al., 1980 | gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M |
By formula: C6H11O+ + C2H3N = (C6H11O+ • C2H3N)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
19.4 | 320. | ICR | Bromilow, Abboud, et al., 1980 | gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M |
By formula: C6H13O+ + C2H3N = (C6H13O+ • C2H3N)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
18.2 | 320. | ICR | Bromilow, Abboud, et al., 1980 | gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M |
By formula: C6H13O+ + C2H3N = (C6H13O+ • C2H3N)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
18.1 | 320. | ICR | Bromilow, Abboud, et al., 1980 | gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M |
By formula: C6H15O+ + C2H3N = (C6H15O+ • C2H3N)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
18.7 | 320. | ICR | Bromilow, Abboud, et al., 1980 | gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M |
By formula: C6H15O+ + C2H3N = (C6H15O+ • C2H3N)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
17.9 | 320. | ICR | Bromilow, Abboud, et al., 1980 | gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M |
C7H4F3NO2- + = (C7H4F3NO2- •
)
By formula: C7H4F3NO2- + C2H3N = (C7H4F3NO2- • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.3 ± 2.0 | kcal/mol | N/A | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.4 | cal/mol*K | PHPMS | Chowdhury, 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.4 ± 2.0 | kcal/mol | TDAs | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
By formula: C7H4N2O2- + C2H3N = (C7H4N2O2- • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.1 ± 1.6 | kcal/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.1 | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
By formula: C7H4N2O2- + C2H3N = (C7H4N2O2- • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.3 ± 1.6 | kcal/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.3 | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
By formula: C7H4N2O2- + C2H3N = (C7H4N2O2- • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.9 ± 2.0 | kcal/mol | N/A | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28.6 | cal/mol*K | PHPMS | Chowdhury, 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.1 ± 2.0 | kcal/mol | TDAs | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
By formula: C7H7NO2- + C2H3N = (C7H7NO2- • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 6.7 ± 1.6 | kcal/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.7 | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
By formula: C7H7NO3- + C2H3N = (C7H7NO3- • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.8 ± 2.0 | kcal/mol | N/A | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.7 | cal/mol*K | PHPMS | Chowdhury, 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.6 ± 2.0 | kcal/mol | TDAs | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
By formula: C7H11O+ + C2H3N = (C7H11O+ • C2H3N)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
14.3 | 320. | ICR | Bromilow, Abboud, et al., 1980 | gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M |
By formula: C7H15O+ + C2H3N = (C7H15O+ • C2H3N)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
16.7 | 320. | ICR | Bromilow, Abboud, et al., 1980 | gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M |
By formula: C8H9O2+ + C2H3N = (C8H9O2+ • C2H3N)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
16.5 | 320. | ICR | Bromilow, Abboud, et al., 1980 | gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M |
By formula: C9H11O+ + C2H3N = (C9H11O+ • C2H3N)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
15.5 | 320. | ICR | Bromilow, Abboud, et al., 1980 | gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M |
C10H4Cl2O2- + = (C10H4Cl2O2- •
)
By formula: C10H4Cl2O2- + C2H3N = (C10H4Cl2O2- • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | <1.5 ± 1.6 | kcal/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
1.5 | 343. | PHPMS | Chowdhury, 1987 | gas phase; DG<; M |
By formula: C10H6O2- + C2H3N = (C10H6O2- • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 4.2 ± 1.6 | kcal/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.2 | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
By formula: C10H10Fe+ + C2H3N = (C10H10Fe+ • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.4 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.9 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1989 | gas phase; M |
(C10H10Fe+ • ) +
= (C10H10Fe+ • 2
)
By formula: (C10H10Fe+ • C2H3N) + C2H3N = (C10H10Fe+ • 2C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.1 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 16.0 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1989 | gas phase; M |
By formula: C10H11Fe+ + C2H3N = (C10H11Fe+ • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.9 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.4 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1989 | gas phase; M |
By formula: C11H10+ + C2H3N = (C11H10+ • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.3 | kcal/mol | PHPMS | El-Shall and Meot-Ner (Mautner), 1987 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | N/A | El-Shall and Meot-Ner (Mautner), 1987 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.6 | 303. | PHPMS | El-Shall and Meot-Ner (Mautner), 1987 | gas phase; Entropy change calculated or estimated; M |
By formula: Cl- + C2H3N = (Cl- • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15. ± 2. | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 15.7 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 15.7 | cal/mol*K | PHPMS | Yamabe, Furumiya, et al., 1986 | gas phase; M |
ΔrS° | 14.3 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
ΔrS° | 14.3 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1972 | gas phase; M |
ΔrS° | 21.4 | cal/mol*K | N/A | Larson and McMahon, 1984 | gas phase; switching reaction(Cl-)CF3H, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 10.20 ± 0.20 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
ΔrG° | 9.2 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 8.9 ± 2.6 | kcal/mol | TDAs | Yamabe, Furumiya, et al., 1986 | gas phase; B |
ΔrG° | 10.10 ± 0.20 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
ΔrG° | 9.2 ± 2.0 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
By formula: (Cl- • C2H3N) + C2H3N = (Cl- • 2C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.50 ± 0.40 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 12.00 ± 0.70 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
ΔrH° | 12.20 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 16.3 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 18.9 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1972 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.6 ± 1.2 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 6.60 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
By formula: (Cl- • 2C2H3N) + C2H3N = (Cl- • 3C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.20 ± 0.40 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 12.00 ± 0.70 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
ΔrH° | 10.60 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.6 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 20.1 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1972 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.3 ± 1.3 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 4.60 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
By formula: (Cl- • 3C2H3N) + C2H3N = (Cl- • 4C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.90 ± 0.30 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 9.00 ± 0.80 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
ΔrH° | 6.20 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.6 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 10.8 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1972 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.9 ± 1.2 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 3.00 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
By formula: (Cl- • 4C2H3N) + C2H3N = (Cl- • 5C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.80 ± 0.20 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 5.80 ± 0.90 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.1 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.70 ± 0.80 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
By formula: (Cl- • 5C2H3N) + C2H3N = (Cl- • 6C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.50 ± 0.20 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 5.8 ± 1.0 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.1 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.80 ± 0.80 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
By formula: (Cl- • 6C2H3N) + C2H3N = (Cl- • 7C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.40 ± 0.30 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 3.9 ± 1.1 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 30.7 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.2 ± 1.4 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
By formula: (Cl- • 7C2H3N) + C2H3N = (Cl- • 8C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.20 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; Entropy estimated; B,M |
ΔrH° | 2.8 ± 1.2 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 32. | cal/mol*K | N/A | Hiraoka, Mizuse, et al., 1988 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -0.40 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; Entropy estimated; B |
By formula: (Cl- • 8C2H3N) + C2H3N = (Cl- • 9C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.4 ± 1.4 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
By formula: (Cl- • 9C2H3N) + C2H3N = (Cl- • 10C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.1 ± 1.5 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
By formula: (Cl- • 10C2H3N) + C2H3N = (Cl- • 11C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.8 ± 1.6 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
By formula: (Cl- • 11C2H3N) + C2H3N = (Cl- • 12C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -0.5 ± 1.7 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
By formula: (Cl- • 12C2H3N) + C2H3N = (Cl- • 13C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 0.9 ± 1.8 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
By formula: (Cl- • 13C2H3N) + C2H3N = (Cl- • 14C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -0.5 ± 1.9 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
By formula: Cs+ + C2H3N = (Cs+ • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.2 | kcal/mol | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.6 | cal/mol*K | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
By formula: (Cs+ • C2H3N) + C2H3N = (Cs+ • 2C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.7 | kcal/mol | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.6 | cal/mol*K | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
By formula: (Cs+ • 2C2H3N) + C2H3N = (Cs+ • 3C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.3 | kcal/mol | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.0 | cal/mol*K | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
By formula: (Cs+ • 3C2H3N) + C2H3N = (Cs+ • 4C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.1 | kcal/mol | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.0 | cal/mol*K | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
By formula: (Cs+ • 4C2H3N) + C2H3N = (Cs+ • 5C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.9 | kcal/mol | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 32.9 | cal/mol*K | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
By formula: Cu+ + C2H3N = (Cu+ • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 56.9 ± 0.7 | kcal/mol | CIDT | Vitale, 2001 | CH3CN is fifth ligand; RCD |
By formula: (Cu+ • C2H3N) + C2H3N = (Cu+ • 2C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 56.9 ± 2.2 | kcal/mol | CIDT | Vitale, 2001 | RCD |
By formula: (Cu+ • 2C2H3N) + C2H3N = (Cu+ • 3C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20.1 ± 0.5 | kcal/mol | CIDT | Vitale, 2001 | RCD |
By formula: (Cu+ • 3C2H3N) + C2H3N = (Cu+ • 4C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.0 ± 0.5 | kcal/mol | CIDT | Vitale, 2001 | RCD |
By formula: (Cu+ • 4C2H3N) + C2H3N = (Cu+ • 5C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.3 ± 1.0 | kcal/mol | CIDT | Vitale, 2001 | RCD |
By formula: F- + C2H3N = (F- • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 24.5 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; Discrepancy with Yamdagni and Kebarle, 1972 "not resolved; B,M |
ΔrH° | 16.0 ± 2.0 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.9 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 13.4 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1972 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 17.6 ± 3.3 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; Discrepancy with Yamdagni and Kebarle, 1972 "not resolved; B |
ΔrG° | 12.0 ± 2.0 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
By formula: (F- • C2H3N) + C2H3N = (F- • 2C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.7 ± 1.5 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 12.90 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.9 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 14.8 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1972 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 10.8 ± 3.4 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 8.50 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
By formula: (F- • 2C2H3N) + C2H3N = (F- • 3C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.1 ± 1.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 11.70 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.4 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 17.9 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1972 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.4 ± 2.5 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 6.40 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
By formula: (F- • 3C2H3N) + C2H3N = (F- • 4C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.80 ± 0.50 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 10.40 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.3 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 19.6 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1972 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.9 ± 1.9 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 4.50 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
By formula: (F- • 4C2H3N) + C2H3N = (F- • 5C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.50 ± 0.20 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 5.30 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.6 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 7.4 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1972 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.60 ± 0.80 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 3.10 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
By formula: (F- • 5C2H3N) + C2H3N = (F- • 6C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.70 ± 0.20 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.8 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.40 ± 0.90 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
By formula: (F- • 6C2H3N) + C2H3N = (F- • 7C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.50 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; Entropy estimated; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28. | cal/mol*K | N/A | Hiraoka, Mizuse, et al., 1988 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.10 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; Entropy estimated; B |
By formula: H4N+ + C2H3N = (H4N+ • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 27.6 | kcal/mol | PHPMS | Liebman, Romm, et al., 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.2 | cal/mol*K | PHPMS | Liebman, Romm, et al., 1991 | gas phase; M |
By formula: (H4N+ • C2H3N) + C2H3N = (H4N+ • 2C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.2 | kcal/mol | PHPMS | Liebman, Romm, et al., 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.4 | cal/mol*K | PHPMS | Liebman, Romm, et al., 1991 | gas phase; M |
By formula: (H4N+ • 2C2H3N) + C2H3N = (H4N+ • 3C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.2 | kcal/mol | PHPMS | Liebman, Romm, et al., 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.5 | cal/mol*K | PHPMS | Liebman, Romm, et al., 1991 | gas phase; M |
By formula: (H4N+ • 3C2H3N) + C2H3N = (H4N+ • 4C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.7 | kcal/mol | PHPMS | Liebman, Romm, et al., 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.2 | cal/mol*K | PHPMS | Liebman, Romm, et al., 1991 | gas phase; M |
By formula: I- + C2H3N = (I- • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.9 ± 2.0 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B,M |
ΔrH° | 11.10 ± 0.40 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
ΔrH° | 11.1 ± 1.1 | kcal/mol | LPES | Dessent, Bailey, et al., 1995 | gas phase; B |
ΔrH° | 11.00 ± 0.20 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 12. | kcal/mol | PHPMS | Caldwell, Masucci, et al., 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 13.8 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 18.2 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1972 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.4 ± 2.0 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
ΔrG° | 6.6 ± 2.0 | kcal/mol | IMRE | Tanabe, Morgon, et al., 1996 | gas phase; Anchored to H2O..I- of Caldwell and Kebarle, 1984; B |
ΔrG° | 6.90 ± 0.50 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
By formula: (I- • C2H3N) + C2H3N = (I- • 2C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.40 ± 0.20 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 11.10 ± 0.70 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
ΔrH° | 11.10 ± 0.40 | kcal/mol | N/A | Dessent, Bailey, et al., 1995 | gas phase; Vertical Detachment Energy: 2.25±0.08 eV.; B |
ΔrH° | 10.50 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.4 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 20.8 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1972 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.90 ± 0.80 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 4.30 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
By formula: (I- • 2C2H3N) + C2H3N = (I- • 3C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.20 ± 0.20 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 9.70 ± 0.70 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
ΔrH° | 9.30 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.9 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 22.1 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1972 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.20 ± 0.80 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 2.70 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
By formula: (I- • 3C2H3N) + C2H3N = (I- • 4C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.80 ± 0.10 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 7.40 ± 0.80 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.3 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.00 ± 0.40 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
By formula: (I- • 4C2H3N) + C2H3N = (I- • 5C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.10 ± 0.30 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 10.60 ± 0.90 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.9 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.4 ± 1.4 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
By formula: (I- • 5C2H3N) + C2H3N = (I- • 6C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -2.5 ± 1.0 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
By formula: (I- • 6C2H3N) + C2H3N = (I- • 7C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.7 ± 1.1 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
By formula: (I- • 7C2H3N) + C2H3N = (I- • 8C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.0 ± 1.2 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
By formula: (I- • 8C2H3N) + C2H3N = (I- • 9C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.5 ± 1.4 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
By formula: (I- • 9C2H3N) + C2H3N = (I- • 10C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.5 ± 1.5 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
By formula: (I- • 10C2H3N) + C2H3N = (I- • 11C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.1 ± 1.6 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
By formula: (I- • 11C2H3N) + C2H3N = (I- • 12C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.1 ± 1.7 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
By formula: (I- • 13C2H3N) + C2H3N = (I- • 14C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -0.9 ± 1.9 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
By formula: K+ + C2H3N = (K+ • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 24.4 | kcal/mol | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.5 | cal/mol*K | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
By formula: (K+ • C2H3N) + C2H3N = (K+ • 2C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20.6 | kcal/mol | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.2 | cal/mol*K | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
By formula: (K+ • 2C2H3N) + C2H3N = (K+ • 3C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.2 | kcal/mol | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28.3 | cal/mol*K | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
By formula: (K+ • 3C2H3N) + C2H3N = (K+ • 4C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.6 | kcal/mol | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.5 | cal/mol*K | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
By formula: (K+ • 4C2H3N) + C2H3N = (K+ • 5C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.5 | kcal/mol | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 33.7 | cal/mol*K | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
By formula: Li+ + C2H3N = (Li+ • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 43. | kcal/mol | ICR | Staley and Beauchamp, 1975 | gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 interpolated; M |
By formula: NO2- + C2H3N = (NO2- • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.40 ± 0.10 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 15.3 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.80 ± 0.20 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
By formula: Na+ + C2H3N = (Na+ • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 30.5 ± 1.1 | kcal/mol | CIDT | Valina, 2001 | RCD |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
23.6 | 298. | IMRE | McMahon and Ohanessian, 2000 | Anchor alanine=39.89; RCD |
By formula: (Na+ • C2H3N) + C2H3N = (Na+ • 2C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 26.1 ± 1.9 | kcal/mol | CIDT | Valina, 2001 | RCD |
ΔrH° | 24.4 | kcal/mol | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.7 | cal/mol*K | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
By formula: (Na+ • 2C2H3N) + C2H3N = (Na+ • 3C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.2 ± 0.7 | kcal/mol | CIDT | Valina, 2001 | RCD |
ΔrH° | 20.6 | kcal/mol | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.5 | cal/mol*K | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
By formula: (Na+ • 3C2H3N) + C2H3N = (Na+ • 4C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.4 ± 0.6 | kcal/mol | CIDT | Valina, 2001 | RCD |
ΔrH° | 14.9 | kcal/mol | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.9 | cal/mol*K | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
By formula: (Na+ • 4C2H3N) + C2H3N = (Na+ • 5C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.6 ± 0.8 | kcal/mol | CIDT | Valina, 2001 | CH3CN is fifth ligand; RCD |
ΔrH° | 12.7 | kcal/mol | HPMS | Davidson and Kebarle, 1976 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 41.2 | cal/mol*K | HPMS | Davidson and Kebarle, 1976 | gas phase; Entropy change is questionable; M |
By formula: O2- + C2H3N = (O2- • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.40 | kcal/mol | TDAs | Yamdagni, Payzant, et al., 1973 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.4 | cal/mol*K | PHPMS | Yamdagni, Payzant, et al., 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 11.20 | kcal/mol | TDAs | Yamdagni, Payzant, et al., 1973 | gas phase; B |
By formula: (O2- • C2H3N) + C2H3N = (O2- • 2C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.20 ± 0.70 | kcal/mol | TDAs | Yamdagni, Payzant, et al., 1973 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.0 | cal/mol*K | PHPMS | Yamdagni, Payzant, et al., 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.70 ± 0.40 | kcal/mol | TDAs | Yamdagni, Payzant, et al., 1973 | gas phase; B |
By formula: (O2- • 2C2H3N) + C2H3N = (O2- • 3C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.90 ± 0.60 | kcal/mol | TDAs | Yamdagni, Payzant, et al., 1973 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.7 | cal/mol*K | PHPMS | Yamdagni, Payzant, et al., 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.50 ± 0.20 | kcal/mol | TDAs | Yamdagni, Payzant, et al., 1973 | gas phase; B |
By formula: (O2- • 3C2H3N) + C2H3N = (O2- • 4C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.50 ± 0.50 | kcal/mol | TDAs | Yamdagni, Payzant, et al., 1973 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.4 | cal/mol*K | PHPMS | Yamdagni, Payzant, et al., 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.80 ± 0.10 | kcal/mol | TDAs | Yamdagni, Payzant, et al., 1973 | gas phase; B |
By formula: Rb+ + C2H3N = (Rb+ • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20.7 | kcal/mol | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.1 | cal/mol*K | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
By formula: (Rb+ • C2H3N) + C2H3N = (Rb+ • 2C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.7 | kcal/mol | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.9 | cal/mol*K | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
By formula: (Rb+ • 2C2H3N) + C2H3N = (Rb+ • 3C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.7 | kcal/mol | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.8 | cal/mol*K | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
By formula: (Rb+ • 3C2H3N) + C2H3N = (Rb+ • 4C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.5 | kcal/mol | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.7 | cal/mol*K | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
By formula: (Rb+ • 4C2H3N) + C2H3N = (Rb+ • 5C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.1 | kcal/mol | HPMS | Davidson and Kebarle, 1976 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 32.5 | cal/mol*K | HPMS | Davidson and Kebarle, 1976 | gas phase; Entropy change is questionable; M |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, 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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Entropy and related thermodynamic properties of acetonitrile (methyl cyanide),
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Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, 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 Pc Critical pressure S°liquid Entropy of liquid at standard conditions T Temperature Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfusH Enthalpy of fusion ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ΔvapS Entropy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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