Acetonitrile

Formula: C₂H₃N
Molecular weight: 41.0519
IUPAC Standard InChI: InChI=1S/C2H3N/c1-2-3/h1H3
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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Ion clustering data

Go To: Top, References, Notes

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

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Clustering reactions

+ Acetonitrile = ( • )

By formula: Ag⁺ + C₂H₃N = (Ag⁺ • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	162.	kJ/mol	CIDT	Shoieb, Aribi, et al., 2001	RCD

( • Acetonitrile ) + = ( • 2)

By formula: (Ag⁺ • C₂H₃N) + C₂H₃N = (Ag⁺ • 2C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	145.	kJ/mol	CIDT	Shoieb, Aribi, et al., 2001	RCD

+ Acetonitrile = ( • )

By formula: Br^- + C₂H₃N = (Br^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	59.8 ± 4.2	kJ/mol	TDAs	Li, Ross, et al., 1996	gas phase; B
Δ_rH°	50.6 ± 1.7	kJ/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B
Δ_rH°	54.0 ± 1.7	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	54.0 ± 8.4	kJ/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B,M
Δ_rH°	54.0	kJ/mol	HPMS	Caldwell, Masucci, et al., 1989	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	51.0	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	69.0	J/mol*K	HPMS	Yamdagni and Kebarle, 1972	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	36.4 ± 0.84	kJ/mol	TDAs	Li, Ross, et al., 1996	gas phase; B
Δ_rG°	37. ± 8.4	kJ/mol	IMRE	Tanabe, Morgon, et al., 1996	gas phase; Anchored to H2O..Br- of Hiraoka, Mizure, et al., 19882; B
Δ_rG°	38.5 ± 2.9	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B
Δ_rG°	33. ± 8.4	kJ/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B

( • Acetonitrile ) + = ( • 2)

By formula: (Br^- • C₂H₃N) + C₂H₃N = (Br^- • 2C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	49.0 ± 1.7	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	48.1 ± 2.9	kJ/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B
Δ_rH°	49.37	kJ/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	71.1	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	85.4	J/mol*K	HPMS	Yamdagni and Kebarle, 1972	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	28. ± 5.4	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B
Δ_rG°	24.3	kJ/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B

( • 2 Acetonitrile ) + = ( • 3)

By formula: (Br^- • 2C₂H₃N) + C₂H₃N = (Br^- • 3C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	38.5 ± 1.7	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	43.5 ± 2.9	kJ/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B
Δ_rH°	41.84	kJ/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	69.9	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	90.8	J/mol*K	HPMS	Yamdagni and Kebarle, 1972	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	18. ± 5.4	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B
Δ_rG°	15.1	kJ/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B

( • 3 Acetonitrile ) + = ( • 4)

By formula: (Br^- • 3C₂H₃N) + C₂H₃N = (Br^- • 4C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	36.4 ± 1.3	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	35.6 ± 3.3	kJ/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B
Δ_rH°	23.0	kJ/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	82.0	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	45.6	J/mol*K	HPMS	Yamdagni and Kebarle, 1972	gas phase; Entropy change is questionable; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	12. ± 5.0	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B
Δ_rG°	9.20	kJ/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B

( • 4 Acetonitrile ) + = ( • 5)

By formula: (Br^- • 4C₂H₃N) + C₂H₃N = (Br^- • 5C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	35.6 ± 1.3	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	24.3 ± 3.8	kJ/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	92.9	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	7.5 ± 5.4	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B

( • 5 Acetonitrile ) + = ( • 6)

By formula: (Br^- • 5C₂H₃N) + C₂H₃N = (Br^- • 6C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	33.5 ± 0.84	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	23. ± 4.2	kJ/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	94.1	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	5.0 ± 3.8	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B

( • 6 Acetonitrile ) + = ( • 7)

By formula: (Br^- • 6C₂H₃N) + C₂H₃N = (Br^- • 7C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	32.2 ± 1.3	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	13. ± 4.6	kJ/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	95.8	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	3. ± 5.4	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B

( • 7 Acetonitrile ) + = ( • 8)

By formula: (Br^- • 7C₂H₃N) + C₂H₃N = (Br^- • 8C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	15. ± 5.0	kJ/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B

( • 8 Acetonitrile ) + = ( • 9)

By formula: (Br^- • 8C₂H₃N) + C₂H₃N = (Br^- • 9C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	12. ± 5.9	kJ/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B

( • 9 Acetonitrile ) + = ( • 10)

By formula: (Br^- • 9C₂H₃N) + C₂H₃N = (Br^- • 10C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	15. ± 6.3	kJ/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B

( • 10 Acetonitrile ) + = ( • 11)

By formula: (Br^- • 10C₂H₃N) + C₂H₃N = (Br^- • 11C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	5.0 ± 6.7	kJ/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B

( • 11 Acetonitrile ) + = ( • 12)

By formula: (Br^- • 11C₂H₃N) + C₂H₃N = (Br^- • 12C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	5.0 ± 7.1	kJ/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B

( • 12 Acetonitrile ) + = ( • 13)

By formula: (Br^- • 12C₂H₃N) + C₂H₃N = (Br^- • 13C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	2. ± 7.5	kJ/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B

( • 13 Acetonitrile ) + = ( • 14)

By formula: (Br^- • 13C₂H₃N) + C₂H₃N = (Br^- • 14C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	3. ± 7.9	kJ/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B

CH₆N⁺ + Acetonitrile = (CH₆N⁺ • )

By formula: CH₆N⁺ + C₂H₃N = (CH₆N⁺ • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	110.	kJ/mol	PHPMS	Speller and Meot-Ner (Mautner), 1985	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	108.	J/mol*K	PHPMS	Speller and Meot-Ner (Mautner), 1985	gas phase; M

(CH₆N⁺ • Acetonitrile ) + = (CH₆N⁺ • 2)

By formula: (CH₆N⁺ • C₂H₃N) + C₂H₃N = (CH₆N⁺ • 2C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	77.8	kJ/mol	PHPMS	Meot-Ner (Mautner) and Sieck, 1985	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	98.7	J/mol*K	PHPMS	Meot-Ner (Mautner) and Sieck, 1985	gas phase; M

(CH₆N⁺ • 2 Acetonitrile ) + = (CH₆N⁺ • 3)

By formula: (CH₆N⁺ • 2C₂H₃N) + C₂H₃N = (CH₆N⁺ • 3C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	56.1	kJ/mol	PHPMS	Meot-Ner (Mautner) and Sieck, 1985	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	87.9	J/mol*K	PHPMS	Meot-Ner (Mautner) and Sieck, 1985	gas phase; M

CN^- + Acetonitrile = (CN^- • )

By formula: CN^- + C₂H₃N = (CN^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	57.7 ± 4.2	kJ/mol	TDAs	Meot-ner, 1988	gas phase; B,M
Δ_rH°	69. ± 15.	kJ/mol	IMRE	Larson and McMahon, 1987	gas phase; B,M
Δ_rH°	65.69	kJ/mol	TDAs	Hiraoka, Mizure, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	90.8	J/mol*K	PHPMS	Hiraoka, Mizure, et al., 1988	gas phase; M
Δ_rS°	59.4	J/mol*K	PHPMS	Meot-ner, 1988	gas phase; M
Δ_rS°	102.	J/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
Δ_rG°	40. ± 4.2	kJ/mol	TDAs	Meot-ner, 1988	gas phase; B
Δ_rG°	38. ± 9.6	kJ/mol	IMRE	Larson and McMahon, 1987	gas phase; B,M
Δ_rG°	38.5	kJ/mol	TDAs	Hiraoka, Mizure, et al., 1988	gas phase; B

C₂H₂N^- + Acetonitrile = (C₂H₂N^- • )

By formula: C₂H₂N^- + C₂H₃N = (C₂H₂N^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	53.6 ± 4.2	kJ/mol	TDAs	Meot-ner, 1988, 2	gas phase; B,M
Δ_rH°	65.69	kJ/mol	TDAs	Hiraoka, Mizure, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	95.4	J/mol*K	PHPMS	Hiraoka, Mizure, et al., 1988	gas phase; M
Δ_rS°	56.1	J/mol*K	PHPMS	Meot-ner, 1988, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	37. ± 4.2	kJ/mol	TDAs	Meot-ner, 1988, 2	gas phase; B
Δ_rG°	37.2	kJ/mol	TDAs	Hiraoka, Mizure, et al., 1988	gas phase; B

+ Acetonitrile = ( • )

By formula: C₂H₃O₂^- + C₂H₃N = (C₂H₃O₂^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	61.9 ± 4.2	kJ/mol	TDAs	Meot-ner, 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	75.3	J/mol*K	PHPMS	Meot-ner, 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	39. ± 4.2	kJ/mol	TDAs	Meot-ner, 1988	gas phase; B

(C₂H₄N⁺ • ) + Acetonitrile = (C₂H₄N⁺ • • )

By formula: (C₂H₄N⁺ • CH₄O) + C₂H₃N = (C₂H₄N⁺ • C₂H₃N • CH₄O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	94.6	kJ/mol	PHPMS	El-Shall, Olafsdottir, et al., 1991	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	103.	J/mol*K	PHPMS	El-Shall, Olafsdottir, et al., 1991	gas phase; M

C₂H₄N⁺ + Acetonitrile = (C₂H₄N⁺ • )

By formula: C₂H₄N⁺ + C₂H₃N = (C₂H₄N⁺ • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	130. ± 9.6	kJ/mol	CID	Honma, Sunderlin, et al., 1993	gas phase; guided ion beam CID; M
Δ_rH°	121.	kJ/mol	PHPMS	Allison, Cramer, et al., 1991	gas phase; M
Δ_rH°	125.	kJ/mol	PHPMS	Deakyne, Meot-Ner (Mautner), et al., 1986	gas phase; n; M
Δ_rH°	125.	kJ/mol	PHPMS	Speller and Meot-Ner (Mautner), 1985	gas phase; M
Δ_rH°	126.	kJ/mol	PHPMS	Meot-Ner (Mautner), 1978	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	114.	J/mol*K	PHPMS	Allison, Cramer, et al., 1991	gas phase; M
Δ_rS°	104.	J/mol*K	PHPMS	Deakyne, Meot-Ner (Mautner), et al., 1986	gas phase; n; M
Δ_rS°	103.	J/mol*K	PHPMS	Speller and Meot-Ner (Mautner), 1985	gas phase; M
Δ_rS°	120.	J/mol*K	PHPMS	Meot-Ner (Mautner), 1978	gas phase; M

(C₂H₄N⁺ • Acetonitrile • ) + = (C₂H₄N⁺ • 2 • )

By formula: (C₂H₄N⁺ • C₂H₃N • CH₄O) + C₂H₃N = (C₂H₄N⁺ • 2C₂H₃N • CH₄O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	29.	kJ/mol	PHPMS	El-Shall, Olafsdottir, et al., 1991	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	51.9	J/mol*K	PHPMS	El-Shall, Olafsdottir, et al., 1991	gas phase; M

(C₂H₄N⁺ • Acetonitrile • 2) + = (C₂H₄N⁺ • 2 • 2)

By formula: (C₂H₄N⁺ • C₂H₃N • 2CH₄O) + C₂H₃N = (C₂H₄N⁺ • 2C₂H₃N • 2CH₄O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	65.3	kJ/mol	PHPMS	El-Shall, Olafsdottir, et al., 1991	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	90.4	J/mol*K	PHPMS	El-Shall, Olafsdottir, et al., 1991	gas phase; M

(C₂H₄N⁺ • Acetonitrile ) + = (C₂H₄N⁺ • 2)

By formula: (C₂H₄N⁺ • C₂H₃N) + C₂H₃N = (C₂H₄N⁺ • 2C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	39.	kJ/mol	PHPMS	Meot-Ner (Mautner), 1978	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	79.	J/mol*K	PHPMS	Meot-Ner (Mautner), 1978	gas phase; M

(C₂H₄N⁺ • Acetonitrile • ) + = (C₂H₄N⁺ • 2 • )

By formula: (C₂H₄N⁺ • C₂H₃N • H₂O) + C₂H₃N = (C₂H₄N⁺ • 2C₂H₃N • H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	86.2	kJ/mol	PHPMS	Deakyne, Meot-Ner (Mautner), et al., 1986	gas phase; n; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	114.	J/mol*K	PHPMS	Deakyne, Meot-Ner (Mautner), et al., 1986	gas phase; n; M

(C₂H₄N⁺ • Acetonitrile • 4) + = (C₂H₄N⁺ • 2 • 4)

By formula: (C₂H₄N⁺ • C₂H₃N • 4H₂O) + C₂H₃N = (C₂H₄N⁺ • 2C₂H₃N • 4H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	60.2	kJ/mol	PHPMS	Deakyne, Meot-Ner (Mautner), et al., 1986	gas phase; n, Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	92.	J/mol*K	N/A	Deakyne, Meot-Ner (Mautner), et al., 1986	gas phase; n, Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
31.	318.	PHPMS	Deakyne, Meot-Ner (Mautner), et al., 1986	gas phase; n, Entropy change calculated or estimated; M

(C₂H₄N⁺ • ) + Acetonitrile = (C₂H₄N⁺ • • )

By formula: (C₂H₄N⁺ • H₂O) + C₂H₃N = (C₂H₄N⁺ • C₂H₃N • H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	97.9	kJ/mol	PHPMS	Deakyne, Meot-Ner (Mautner), et al., 1986	gas phase; n; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	103.	J/mol*K	PHPMS	Deakyne, Meot-Ner (Mautner), et al., 1986	gas phase; n; M

C₂H₆NO⁺ + Acetonitrile = (C₂H₆NO⁺ • )

By formula: C₂H₆NO⁺ + C₂H₃N = (C₂H₆NO⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
67.8	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C₂H₇O⁺ + Acetonitrile = (C₂H₇O⁺ • )

By formula: C₂H₇O⁺ + C₂H₃N = (C₂H₇O⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
96.2	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; switching reaction,n((CH3)2OH+)(CH3)2O,; Grimsrud and Kebarle, 1973; M

C₃H₅O⁺ + Acetonitrile = (C₃H₅O⁺ • )

By formula: C₃H₅O⁺ + C₂H₃N = (C₃H₅O⁺ • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	64.0	kJ/mol	PHPMS	Meot-ner, 1988, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	79.1	J/mol*K	PHPMS	Meot-ner, 1988, 2	gas phase; M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
39.	295.	FA	Mackay, Rakshit, et al., 1982	gas phase; M

C₃H₅O^- + Acetonitrile = (C₃H₅O^- • )

By formula: C₃H₅O^- + C₂H₃N = (C₃H₅O^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	64.0 ± 4.2	kJ/mol	TDAs	Meot-ner, 1988, 2	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	40. ± 8.4	kJ/mol	TDAs	Meot-ner, 1988, 2	gas phase; B

C₃H₇O⁺ + Acetonitrile = (C₃H₇O⁺ • )

By formula: C₃H₇O⁺ + C₂H₃N = (C₃H₇O⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
87.0	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C₃H₇O₂⁺ + Acetonitrile = (C₃H₇O₂⁺ • )

By formula: C₃H₇O₂⁺ + C₂H₃N = (C₃H₇O₂⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
90.0	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C₃H₇O₂⁺ + Acetonitrile = (C₃H₇O₂⁺ • )

By formula: C₃H₇O₂⁺ + C₂H₃N = (C₃H₇O₂⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
84.1	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; n,switching reaction((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C₃H₉O⁺ + Acetonitrile = (C₃H₉O⁺ • )

By formula: C₃H₉O⁺ + C₂H₃N = (C₃H₉O⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
98.7	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C₃H₉Sn⁺ + Acetonitrile = (C₃H₉Sn⁺ • )

By formula: C₃H₉Sn⁺ + C₂H₃N = (C₃H₉Sn⁺ • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	157.	kJ/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
Δ_rS°	131.	J/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

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
87.9	525.	PHPMS	Stone and Splinter, 1984	gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

C₄H₂O₃^- + Acetonitrile = (C₄H₂O₃^- • )

By formula: C₄H₂O₃^- + C₂H₃N = (C₄H₂O₃^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	23. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

+ Acetonitrile = ( • )

By formula: C₄H₄N^- + C₂H₃N = (C₄H₄N^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	66.1 ± 4.2	kJ/mol	TDAs	Meot-ner, 1988, 2	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	97.9	J/mol*K	PHPMS	Meot-ner, 1988, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	37. ± 4.2	kJ/mol	TDAs	Meot-ner, 1988, 2	gas phase; B

C₄H₆N⁺ + Acetonitrile = (C₄H₆N⁺ • )

By formula: C₄H₆N⁺ + C₂H₃N = (C₄H₆N⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
87.0	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C₄H₇O⁺ + Acetonitrile = (C₄H₇O⁺ • )

By formula: C₄H₇O⁺ + C₂H₃N = (C₄H₇O⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
92.5	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C₄H₉O⁺ + Acetonitrile = (C₄H₉O⁺ • )

By formula: C₄H₉O⁺ + C₂H₃N = (C₄H₉O⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
86.6	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

C₄H₉O₂⁺ + Acetonitrile = (C₄H₉O₂⁺ • )

By formula: C₄H₉O₂⁺ + C₂H₃N = (C₄H₉O₂⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
95.8	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C₄H₉O₂⁺ + Acetonitrile = (C₄H₉O₂⁺ • )

By formula: C₄H₉O₂⁺ + C₂H₃N = (C₄H₉O₂⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
79.1	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

C₄H₁₁O⁺ + Acetonitrile = (C₄H₁₁O⁺ • )

By formula: C₄H₁₁O⁺ + C₂H₃N = (C₄H₁₁O⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
82.0	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; switching reaction(Me2O)2H+; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M

C₅HFeO₅⁺ + Acetonitrile = (C₅HFeO₅⁺ • )

By formula: C₅HFeO₅⁺ + C₂H₃N = (C₅HFeO₅⁺ • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	70.3	kJ/mol	PHPMS	Allison, Cramer, et al., 1991	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	112.	J/mol*K	PHPMS	Allison, Cramer, et al., 1991	gas phase; M

+ Acetonitrile = ( • )

By formula: C₅H₅^- + C₂H₃N = (C₅H₅^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	64.9 ± 4.2	kJ/mol	TDAs	Meot-ner, 1988, 2	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	36. ± 4.2	kJ/mol	TDAs	Meot-ner, 1988, 2	gas phase; B

C₅H₉O⁺ + Acetonitrile = (C₅H₉O⁺ • )

By formula: C₅H₉O⁺ + C₂H₃N = (C₅H₉O⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
84.1	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C₅H₉O⁺ + Acetonitrile = (C₅H₉O⁺ • )

By formula: C₅H₉O⁺ + C₂H₃N = (C₅H₉O⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
73.2	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C₅H₉O₂⁺ + Acetonitrile = (C₅H₉O₂⁺ • )

By formula: C₅H₉O₂⁺ + C₂H₃N = (C₅H₉O₂⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
74.1	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C₅H₁₁O⁺ + Acetonitrile = (C₅H₁₁O⁺ • )

By formula: C₅H₁₁O⁺ + C₂H₃N = (C₅H₁₁O⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
84.9	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C₅H₁₃O⁺ + Acetonitrile = (C₅H₁₃O⁺ • )

By formula: C₅H₁₃O⁺ + C₂H₃N = (C₅H₁₃O⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
77.0	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C₆F₄O₂^- + Acetonitrile = (C₆F₄O₂^- • )

By formula: C₆F₄O₂^- + C₂H₃N = (C₆F₄O₂^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	14. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
14.	343.	PHPMS	Chowdhury, 1987	gas phase; M

C₆H₄ClNO₂^- + Acetonitrile = (C₆H₄ClNO₂^- • )

By formula: C₆H₄ClNO₂^- + C₂H₃N = (C₆H₄ClNO₂^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	24. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
24.	343.	PHPMS	Chowdhury, 1987	gas phase; M

C₆H₄ClNO₂^- + Acetonitrile = (C₆H₄ClNO₂^- • )

By formula: C₆H₄ClNO₂^- + C₂H₃N = (C₆H₄ClNO₂^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	26. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
26.	343.	PHPMS	Chowdhury, 1987	gas phase; M

C₆H₄ClNO₂^- + Acetonitrile = (C₆H₄ClNO₂^- • )

By formula: C₆H₄ClNO₂^- + C₂H₃N = (C₆H₄ClNO₂^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	25. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
25.	343.	PHPMS	Chowdhury, 1987	gas phase; M

C₆H₄FNO₂^- + Acetonitrile = (C₆H₄FNO₂^- • )

By formula: C₆H₄FNO₂^- + C₂H₃N = (C₆H₄FNO₂^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	26. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
26.	343.	PHPMS	Chowdhury, 1987	gas phase; M

C₆H₄FNO₂^- + Acetonitrile = (C₆H₄FNO₂^- • )

By formula: C₆H₄FNO₂^- + C₂H₃N = (C₆H₄FNO₂^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	26. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
26.	343.	PHPMS	Chowdhury, 1987	gas phase; M

C₆H₄FNO₂^- + Acetonitrile = (C₆H₄FNO₂^- • )

By formula: C₆H₄FNO₂^- + C₂H₃N = (C₆H₄FNO₂^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	25. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
25.	343.	PHPMS	Chowdhury, 1987	gas phase; M

C₆H₄NO₃^- + Acetonitrile = (C₆H₄NO₃^- • )

By formula: C₆H₄NO₃^- + C₂H₃N = (C₆H₄NO₃^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	24. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

C₆H₄NO₃^- + Acetonitrile = (C₆H₄NO₃^- • )

By formula: C₆H₄NO₃^- + C₂H₃N = (C₆H₄NO₃^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	27. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

C₆H₄N₂O₄^- + Acetonitrile = (C₆H₄N₂O₄^- • )

By formula: C₆H₄N₂O₄^- + C₂H₃N = (C₆H₄N₂O₄^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	13. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
13.	343.	PHPMS	Chowdhury, 1987	gas phase; M

C₆H₄N₂O₄^- + Acetonitrile = (C₆H₄N₂O₄^- • )

By formula: C₆H₄N₂O₄^- + C₂H₃N = (C₆H₄N₂O₄^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	20. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
20.	343.	PHPMS	Chowdhury, 1987	gas phase; M

C₆H₄N₂O₄^- + Acetonitrile = (C₆H₄N₂O₄^- • )

By formula: C₆H₄N₂O₄^- + C₂H₃N = (C₆H₄N₂O₄^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	18. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
18.	343.	PHPMS	Chowdhury, 1987	gas phase; M

+ Acetonitrile = ( • )

By formula: C₆H₄O₂^- + C₂H₃N = (C₆H₄O₂^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	20. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
20.	343.	PHPMS	Chowdhury, 1987	gas phase; M

C₆H₅NO₂^- + Acetonitrile = (C₆H₅NO₂^- • )

By formula: C₆H₅NO₂^- + C₂H₃N = (C₆H₅NO₂^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	28. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
28.	343.	PHPMS	Chowdhury, 1987	gas phase; M

C₆H₇N⁺ + Acetonitrile = (C₆H₇N⁺ • )

By formula: C₆H₇N⁺ + C₂H₃N = (C₆H₇N⁺ • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	72.4	kJ/mol	PHPMS	Meot-Ner (Mautner) and El-Shall, 1986	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	74.5	J/mol*K	PHPMS	Meot-Ner (Mautner) and El-Shall, 1986	gas phase; M

C₆H₇O⁺ + Acetonitrile = (C₆H₇O⁺ • )

By formula: C₆H₇O⁺ + C₂H₃N = (C₆H₇O⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
78.2	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C₆H₁₁O⁺ + Acetonitrile = (C₆H₁₁O⁺ • )

By formula: C₆H₁₁O⁺ + C₂H₃N = (C₆H₁₁O⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
81.2	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C₆H₁₃O⁺ + Acetonitrile = (C₆H₁₃O⁺ • )

By formula: C₆H₁₃O⁺ + C₂H₃N = (C₆H₁₃O⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
76.1	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C₆H₁₃O⁺ + Acetonitrile = (C₆H₁₃O⁺ • )

By formula: C₆H₁₃O⁺ + C₂H₃N = (C₆H₁₃O⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
75.7	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C₆H₁₅O⁺ + Acetonitrile = (C₆H₁₅O⁺ • )

By formula: C₆H₁₅O⁺ + C₂H₃N = (C₆H₁₅O⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
78.2	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C₆H₁₅O⁺ + Acetonitrile = (C₆H₁₅O⁺ • )

By formula: C₆H₁₅O⁺ + C₂H₃N = (C₆H₁₅O⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
74.9	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C₇H₄F₃NO₂^- + Acetonitrile = (C₇H₄F₃NO₂^- • )

By formula: C₇H₄F₃NO₂^- + C₂H₃N = (C₇H₄F₃NO₂^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	55.6 ± 8.4	kJ/mol	N/A	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	97.9	J/mol*K	PHPMS	Chowdhury, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	23. ± 8.4	kJ/mol	TDAs	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

C₇H₄N₂O₂^- + Acetonitrile = (C₇H₄N₂O₂^- • )

By formula: C₇H₄N₂O₂^- + C₂H₃N = (C₇H₄N₂O₂^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	21. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
21.	343.	PHPMS	Chowdhury, 1987	gas phase; M

C₇H₄N₂O₂^- + Acetonitrile = (C₇H₄N₂O₂^- • )

By formula: C₇H₄N₂O₂^- + C₂H₃N = (C₇H₄N₂O₂^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	22. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
22.	343.	PHPMS	Chowdhury, 1987	gas phase; M

C₇H₄N₂O₂^- + Acetonitrile = (C₇H₄N₂O₂^- • )

By formula: C₇H₄N₂O₂^- + C₂H₃N = (C₇H₄N₂O₂^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	58.2 ± 8.4	kJ/mol	N/A	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	120.	J/mol*K	PHPMS	Chowdhury, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	17. ± 8.4	kJ/mol	TDAs	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

C₇H₇NO₂^- + Acetonitrile = (C₇H₇NO₂^- • )

By formula: C₇H₇NO₂^- + C₂H₃N = (C₇H₇NO₂^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	28. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
28.	343.	PHPMS	Chowdhury, 1987	gas phase; M

C₇H₇NO₃^- + Acetonitrile = (C₇H₇NO₃^- • )

By formula: C₇H₇NO₃^- + C₂H₃N = (C₇H₇NO₃^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	57.7 ± 8.4	kJ/mol	N/A	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	95.0	J/mol*K	PHPMS	Chowdhury, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	28. ± 8.4	kJ/mol	TDAs	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

C₇H₁₁O⁺ + Acetonitrile = (C₇H₁₁O⁺ • )

By formula: C₇H₁₁O⁺ + C₂H₃N = (C₇H₁₁O⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
59.8	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C₇H₁₅O⁺ + Acetonitrile = (C₇H₁₅O⁺ • )

By formula: C₇H₁₅O⁺ + C₂H₃N = (C₇H₁₅O⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
69.9	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C₈H₉O₂⁺ + Acetonitrile = (C₈H₉O₂⁺ • )

By formula: C₈H₉O₂⁺ + C₂H₃N = (C₈H₉O₂⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
69.0	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C₉H₁₁O⁺ + Acetonitrile = (C₉H₁₁O⁺ • )

By formula: C₉H₁₁O⁺ + C₂H₃N = (C₉H₁₁O⁺ • C₂H₃N)

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
64.9	320.	ICR	Bromilow, Abboud, et al., 1980	gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C₁₀H₄Cl₂O₂^- + Acetonitrile = (C₁₀H₄Cl₂O₂^- • )

By formula: C₁₀H₄Cl₂O₂^- + C₂H₃N = (C₁₀H₄Cl₂O₂^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	<6.3 ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
6.3	343.	PHPMS	Chowdhury, 1987	gas phase; DG<; M

+ Acetonitrile = ( • )

By formula: C₁₀H₆O₂^- + C₂H₃N = (C₁₀H₆O₂^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	18. ± 6.7	kJ/mol	IMRE	Chowdhury, Grimsrud, et al., 1987	gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
18.	343.	PHPMS	Chowdhury, 1987	gas phase; M

C₁₀H₁₀Fe⁺ + Acetonitrile = (C₁₀H₁₀Fe⁺ • )

By formula: C₁₀H₁₀Fe⁺ + C₂H₃N = (C₁₀H₁₀Fe⁺ • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	47.7	kJ/mol	PHPMS	Meot-Ner (Mautner), 1989	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	79.1	J/mol*K	PHPMS	Meot-Ner (Mautner), 1989	gas phase; M

(C₁₀H₁₀Fe⁺ • Acetonitrile ) + = (C₁₀H₁₀Fe⁺ • 2)

By formula: (C₁₀H₁₀Fe⁺ • C₂H₃N) + C₂H₃N = (C₁₀H₁₀Fe⁺ • 2C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	38.	kJ/mol	PHPMS	Meot-Ner (Mautner), 1989	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	66.9	J/mol*K	PHPMS	Meot-Ner (Mautner), 1989	gas phase; M

C₁₀H₁₁Fe⁺ + Acetonitrile = (C₁₀H₁₁Fe⁺ • )

By formula: C₁₀H₁₁Fe⁺ + C₂H₃N = (C₁₀H₁₁Fe⁺ • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	54.0	kJ/mol	PHPMS	Meot-Ner (Mautner), 1989	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	97.9	J/mol*K	PHPMS	Meot-Ner (Mautner), 1989	gas phase; M

C₁₁H₁₀⁺ + Acetonitrile = (C₁₁H₁₀⁺ • )

By formula: C₁₁H₁₀⁺ + C₂H₃N = (C₁₁H₁₀⁺ • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	47.3	kJ/mol	PHPMS	El-Shall and Meot-Ner (Mautner), 1987	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	92.	J/mol*K	N/A	El-Shall and Meot-Ner (Mautner), 1987	gas phase; Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
19.	303.	PHPMS	El-Shall and Meot-Ner (Mautner), 1987	gas phase; Entropy change calculated or estimated; M

+ Acetonitrile = ( • )

By formula: Cl^- + C₂H₃N = (Cl^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	61. ± 10.	kJ/mol	AVG	N/A	Average of 6 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	65.7	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	65.7	J/mol*K	PHPMS	Yamabe, Furumiya, et al., 1986	gas phase; M
Δ_rS°	59.8	J/mol*K	PHPMS	Sieck, 1985	gas phase; M
Δ_rS°	59.8	J/mol*K	PHPMS	Yamdagni and Kebarle, 1972	gas phase; M
Δ_rS°	89.5	J/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
Δ_rG°	42.68 ± 0.84	kJ/mol	TDAs	Li, Ross, et al., 1996	gas phase; B
Δ_rG°	38. ± 8.4	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B
Δ_rG°	37. ± 11.	kJ/mol	TDAs	Yamabe, Furumiya, et al., 1986	gas phase; B
Δ_rG°	42.26 ± 0.84	kJ/mol	TDAs	Sieck, 1985	gas phase; B
Δ_rG°	38. ± 8.4	kJ/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B

( • Acetonitrile ) + = ( • 2)

By formula: (Cl^- • C₂H₃N) + C₂H₃N = (Cl^- • 2C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	52.3 ± 1.7	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	50.2 ± 2.9	kJ/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B
Δ_rH°	51.04	kJ/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	68.2	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	79.1	J/mol*K	PHPMS	Yamdagni and Kebarle, 1972	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	32. ± 5.0	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B
Δ_rG°	27.6	kJ/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B

( • 2 Acetonitrile ) + = ( • 3)

By formula: (Cl^- • 2C₂H₃N) + C₂H₃N = (Cl^- • 3C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	46.9 ± 1.7	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	50.2 ± 2.9	kJ/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B
Δ_rH°	44.35	kJ/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	82.0	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	84.1	J/mol*K	PHPMS	Yamdagni and Kebarle, 1972	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	22. ± 5.4	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B
Δ_rG°	19.2	kJ/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B

( • 3 Acetonitrile ) + = ( • 4)

By formula: (Cl^- • 3C₂H₃N) + C₂H₃N = (Cl^- • 4C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	45.6 ± 1.3	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	37.7 ± 3.3	kJ/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B
Δ_rH°	25.9	kJ/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	111.	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	45.2	J/mol*K	PHPMS	Yamdagni and Kebarle, 1972	gas phase; Entropy change is questionable; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	12. ± 5.0	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B
Δ_rG°	12.6	kJ/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B

( • 4 Acetonitrile ) + = ( • 5)

By formula: (Cl^- • 4C₂H₃N) + C₂H₃N = (Cl^- • 5C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	41.0 ± 0.84	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	24.3 ± 3.8	kJ/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	113.	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	7.1 ± 3.3	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B

( • 5 Acetonitrile ) + = ( • 6)

By formula: (Cl^- • 5C₂H₃N) + C₂H₃N = (Cl^- • 6C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	39.7 ± 0.84	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	24. ± 4.2	kJ/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	122.	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	3.3 ± 3.3	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B

( • 6 Acetonitrile ) + = ( • 7)

By formula: (Cl^- • 6C₂H₃N) + C₂H₃N = (Cl^- • 7C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	39.3 ± 1.3	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	16. ± 4.6	kJ/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	128.	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	0.8 ± 5.9	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B

( • 7 Acetonitrile ) + = ( • 8)

By formula: (Cl^- • 7C₂H₃N) + C₂H₃N = (Cl^- • 8C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	38.5	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; Entropy estimated; B,M
Δ_rH°	12. ± 5.0	kJ/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	130.	J/mol*K	N/A	Hiraoka, Mizuse, et al., 1988	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	-1.7	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; Entropy estimated; B

( • 8 Acetonitrile ) + = ( • 9)

By formula: (Cl^- • 8C₂H₃N) + C₂H₃N = (Cl^- • 9C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	18. ± 5.9	kJ/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B

( • 9 Acetonitrile ) + = ( • 10)

By formula: (Cl^- • 9C₂H₃N) + C₂H₃N = (Cl^- • 10C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.8 ± 6.3	kJ/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B

( • 10 Acetonitrile ) + = ( • 11)

By formula: (Cl^- • 10C₂H₃N) + C₂H₃N = (Cl^- • 11C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	7.5 ± 6.7	kJ/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B

( • 11 Acetonitrile ) + = ( • 12)

By formula: (Cl^- • 11C₂H₃N) + C₂H₃N = (Cl^- • 12C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-2. ± 7.1	kJ/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B

( • 12 Acetonitrile ) + = ( • 13)

By formula: (Cl^- • 12C₂H₃N) + C₂H₃N = (Cl^- • 13C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	4. ± 7.5	kJ/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B

( • 13 Acetonitrile ) + = ( • 14)

By formula: (Cl^- • 13C₂H₃N) + C₂H₃N = (Cl^- • 14C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-2. ± 7.9	kJ/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B

+ Acetonitrile = ( • )

By formula: Cs⁺ + C₂H₃N = (Cs⁺ • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	80.3	kJ/mol	HPMS	Davidson and Kebarle, 1976	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	77.8	J/mol*K	HPMS	Davidson and Kebarle, 1976	gas phase; M

( • Acetonitrile ) + = ( • 2)

By formula: (Cs⁺ • C₂H₃N) + C₂H₃N = (Cs⁺ • 2C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	69.9	kJ/mol	HPMS	Davidson and Kebarle, 1976	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	90.4	J/mol*K	HPMS	Davidson and Kebarle, 1976	gas phase; M

( • 2 Acetonitrile ) + = ( • 3)

By formula: (Cs⁺ • 2C₂H₃N) + C₂H₃N = (Cs⁺ • 3C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	59.8	kJ/mol	HPMS	Davidson and Kebarle, 1976	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	100.	J/mol*K	HPMS	Davidson and Kebarle, 1976	gas phase; M

( • 3 Acetonitrile ) + = ( • 4)

By formula: (Cs⁺ • 3C₂H₃N) + C₂H₃N = (Cs⁺ • 4C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	50.6	kJ/mol	HPMS	Davidson and Kebarle, 1976	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	113.	J/mol*K	HPMS	Davidson and Kebarle, 1976	gas phase; M

( • 4 Acetonitrile ) + = ( • 5)

By formula: (Cs⁺ • 4C₂H₃N) + C₂H₃N = (Cs⁺ • 5C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	45.6	kJ/mol	HPMS	Davidson and Kebarle, 1976	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	138.	J/mol*K	HPMS	Davidson and Kebarle, 1976	gas phase; M

+ Acetonitrile = ( • )

By formula: Cu⁺ + C₂H₃N = (Cu⁺ • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	238. ± 3.	kJ/mol	CIDT	Vitale, 2001	CH3CN is fifth ligand; RCD

( • Acetonitrile ) + = ( • 2)

By formula: (Cu⁺ • C₂H₃N) + C₂H₃N = (Cu⁺ • 2C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	238. ± 9.2	kJ/mol	CIDT	Vitale, 2001	RCD

( • 2 Acetonitrile ) + = ( • 3)

By formula: (Cu⁺ • 2C₂H₃N) + C₂H₃N = (Cu⁺ • 3C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	84. ± 2.	kJ/mol	CIDT	Vitale, 2001	RCD

( • 3 Acetonitrile ) + = ( • 4)

By formula: (Cu⁺ • 3C₂H₃N) + C₂H₃N = (Cu⁺ • 4C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	67. ± 2.	kJ/mol	CIDT	Vitale, 2001	RCD

( • 4 Acetonitrile ) + = ( • 5)

By formula: (Cu⁺ • 4C₂H₃N) + C₂H₃N = (Cu⁺ • 5C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	59.8 ± 4.2	kJ/mol	CIDT	Vitale, 2001	RCD

+ Acetonitrile = ( • )

By formula: F^- + C₂H₃N = (F^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	103. ± 8.4	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; Discrepancy with Yamdagni and Kebarle, 1972 "not resolved; B,M
Δ_rH°	66.9 ± 8.4	kJ/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	95.8	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	56.1	J/mol*K	PHPMS	Yamdagni and Kebarle, 1972	gas phase; Entropy change is questionable; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	74. ± 14.	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; Discrepancy with Yamdagni and Kebarle, 1972 "not resolved; B
Δ_rG°	50.2 ± 8.4	kJ/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B

( • Acetonitrile ) + = ( • 2)

By formula: (F^- • C₂H₃N) + C₂H₃N = (F^- • 2C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	74.1 ± 6.3	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	53.97	kJ/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	95.8	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	61.9	J/mol*K	PHPMS	Yamdagni and Kebarle, 1972	gas phase; Entropy change is questionable; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	45. ± 14.	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B
Δ_rG°	35.6	kJ/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B

( • 2 Acetonitrile ) + = ( • 3)

By formula: (F^- • 2C₂H₃N) + C₂H₃N = (F^- • 3C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	63.2 ± 4.2	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	48.95	kJ/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	93.7	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	74.9	J/mol*K	PHPMS	Yamdagni and Kebarle, 1972	gas phase; Entropy change is questionable; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	35. ± 10.	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B
Δ_rG°	26.8	kJ/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B

( • 3 Acetonitrile ) + = ( • 4)

By formula: (F^- • 3C₂H₃N) + C₂H₃N = (F^- • 4C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	53.6 ± 2.1	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	43.51	kJ/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	110.	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	82.0	J/mol*K	PHPMS	Yamdagni and Kebarle, 1972	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	21. ± 7.9	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B
Δ_rG°	18.8	kJ/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B

( • 4 Acetonitrile ) + = ( • 5)

By formula: (F^- • 4C₂H₃N) + C₂H₃N = (F^- • 5C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	48.12 ± 0.84	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	22.2	kJ/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	124.	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	31.	J/mol*K	PHPMS	Yamdagni and Kebarle, 1972	gas phase; Entropy change is questionable; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	10.9 ± 3.3	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B
Δ_rG°	13.0	kJ/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B

( • 5 Acetonitrile ) + = ( • 6)

By formula: (F^- • 5C₂H₃N) + C₂H₃N = (F^- • 6C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	40.6 ± 0.84	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	116.	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	5.9 ± 3.8	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B

( • 6 Acetonitrile ) + = ( • 7)

By formula: (F^- • 6C₂H₃N) + C₂H₃N = (F^- • 7C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	35.6	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; Entropy estimated; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	120.	J/mol*K	N/A	Hiraoka, Mizuse, et al., 1988	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	0.42	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; Entropy estimated; B

+ Acetonitrile = ( • )

By formula: H₄N⁺ + C₂H₃N = (H₄N⁺ • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	115.	kJ/mol	PHPMS	Liebman, Romm, et al., 1991	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	101.	J/mol*K	PHPMS	Liebman, Romm, et al., 1991	gas phase; M

( • Acetonitrile ) + = ( • 2)

By formula: (H₄N⁺ • C₂H₃N) + C₂H₃N = (H₄N⁺ • 2C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	88.7	kJ/mol	PHPMS	Liebman, Romm, et al., 1991	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	106.	J/mol*K	PHPMS	Liebman, Romm, et al., 1991	gas phase; M

( • 2 Acetonitrile ) + = ( • 3)

By formula: (H₄N⁺ • 2C₂H₃N) + C₂H₃N = (H₄N⁺ • 3C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	59.4	kJ/mol	PHPMS	Liebman, Romm, et al., 1991	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	81.6	J/mol*K	PHPMS	Liebman, Romm, et al., 1991	gas phase; M

( • 3 Acetonitrile ) + = ( • 4)

By formula: (H₄N⁺ • 3C₂H₃N) + C₂H₃N = (H₄N⁺ • 4C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	49.0	kJ/mol	PHPMS	Liebman, Romm, et al., 1991	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	92.9	J/mol*K	PHPMS	Liebman, Romm, et al., 1991	gas phase; M

+ Acetonitrile = ( • )

By formula: I^- + C₂H₃N = (I^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	49.8 ± 8.4	kJ/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B,M
Δ_rH°	46.4 ± 1.7	kJ/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B
Δ_rH°	46.4 ± 4.6	kJ/mol	LPES	Dessent, Bailey, et al., 1995	gas phase; B
Δ_rH°	46.02 ± 0.84	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	50.	kJ/mol	PHPMS	Caldwell, Masucci, et al., 1989	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	57.7	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	76.1	J/mol*K	PHPMS	Yamdagni and Kebarle, 1972	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	27. ± 8.4	kJ/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B
Δ_rG°	28. ± 8.4	kJ/mol	IMRE	Tanabe, Morgon, et al., 1996	gas phase; Anchored to H2O..I- of Caldwell and Kebarle, 1984; B
Δ_rG°	28.9 ± 2.1	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B

( • Acetonitrile ) + = ( • 2)

By formula: (I^- • C₂H₃N) + C₂H₃N = (I^- • 2C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	43.51 ± 0.84	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	46.4 ± 2.9	kJ/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B
Δ_rH°	46.4 ± 1.7	kJ/mol	N/A	Dessent, Bailey, et al., 1995	gas phase; Vertical Detachment Energy: 2.25±0.08 eV.; B
Δ_rH°	43.93	kJ/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	77.0	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	87.0	J/mol*K	PHPMS	Yamdagni and Kebarle, 1972	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	20.5 ± 3.3	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B
Δ_rG°	18.0	kJ/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B

( • 2 Acetonitrile ) + = ( • 3)

By formula: (I^- • 2C₂H₃N) + C₂H₃N = (I^- • 3C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	38.5 ± 0.84	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	40.6 ± 2.9	kJ/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B
Δ_rH°	38.9	kJ/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	83.3	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	92.5	J/mol*K	PHPMS	Yamdagni and Kebarle, 1972	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	13.4 ± 3.3	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B
Δ_rG°	11.3	kJ/mol	TDAs	Yamdagni and Kebarle, 1972	gas phase; B

( • 3 Acetonitrile ) + = ( • 4)

By formula: (I^- • 3C₂H₃N) + C₂H₃N = (I^- • 4C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	32.6 ± 0.42	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	31.0 ± 3.3	kJ/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	80.8	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	8.4 ± 1.7	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B

( • 4 Acetonitrile ) + = ( • 5)

By formula: (I^- • 4C₂H₃N) + C₂H₃N = (I^- • 5C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	29.7 ± 1.3	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	44.4 ± 3.8	kJ/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	79.1	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	5.9 ± 5.9	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B

( • 5 Acetonitrile ) + = ( • 6)

By formula: (I^- • 5C₂H₃N) + C₂H₃N = (I^- • 6C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-10. ± 4.2	kJ/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B

( • 6 Acetonitrile ) + = ( • 7)

By formula: (I^- • 6C₂H₃N) + C₂H₃N = (I^- • 7C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	15. ± 4.6	kJ/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B

( • 7 Acetonitrile ) + = ( • 8)

By formula: (I^- • 7C₂H₃N) + C₂H₃N = (I^- • 8C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	13. ± 5.0	kJ/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B

( • 8 Acetonitrile ) + = ( • 9)

By formula: (I^- • 8C₂H₃N) + C₂H₃N = (I^- • 9C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	10. ± 5.9	kJ/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B

( • 9 Acetonitrile ) + = ( • 10)

By formula: (I^- • 9C₂H₃N) + C₂H₃N = (I^- • 10C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	10. ± 6.3	kJ/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B

( • 10 Acetonitrile ) + = ( • 11)

By formula: (I^- • 10C₂H₃N) + C₂H₃N = (I^- • 11C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.8 ± 6.7	kJ/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B

( • 11 Acetonitrile ) + = ( • 12)

By formula: (I^- • 11C₂H₃N) + C₂H₃N = (I^- • 12C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.8 ± 7.1	kJ/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B

( • 13 Acetonitrile ) + = ( • 14)

By formula: (I^- • 13C₂H₃N) + C₂H₃N = (I^- • 14C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-4. ± 7.9	kJ/mol	N/A	Markovich, Perera, et al., 1996	gas phase; B

+ Acetonitrile = ( • )

By formula: K⁺ + C₂H₃N = (K⁺ • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	102.	kJ/mol	HPMS	Davidson and Kebarle, 1976	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	90.0	J/mol*K	HPMS	Davidson and Kebarle, 1976	gas phase; M

( • Acetonitrile ) + = ( • 2)

By formula: (K⁺ • C₂H₃N) + C₂H₃N = (K⁺ • 2C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	86.2	kJ/mol	HPMS	Davidson and Kebarle, 1976	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	101.	J/mol*K	HPMS	Davidson and Kebarle, 1976	gas phase; M

( • 2 Acetonitrile ) + = ( • 3)

By formula: (K⁺ • 2C₂H₃N) + C₂H₃N = (K⁺ • 3C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	76.1	kJ/mol	HPMS	Davidson and Kebarle, 1976	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	118.	J/mol*K	HPMS	Davidson and Kebarle, 1976	gas phase; M

( • 3 Acetonitrile ) + = ( • 4)

By formula: (K⁺ • 3C₂H₃N) + C₂H₃N = (K⁺ • 4C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	56.9	kJ/mol	HPMS	Davidson and Kebarle, 1976	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	115.	J/mol*K	HPMS	Davidson and Kebarle, 1976	gas phase; M

( • 4 Acetonitrile ) + = ( • 5)

By formula: (K⁺ • 4C₂H₃N) + C₂H₃N = (K⁺ • 5C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	48.1	kJ/mol	HPMS	Davidson and Kebarle, 1976	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	141.	J/mol*K	HPMS	Davidson and Kebarle, 1976	gas phase; M

+ Acetonitrile = ( • )

By formula: Li⁺ + C₂H₃N = (Li⁺ • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	180.	kJ/mol	ICR	Staley and Beauchamp, 1975	gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 interpolated; M

+ Acetonitrile = ( • )

By formula: NO₂^- + C₂H₃N = (NO₂^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	56.07 ± 0.42	kJ/mol	TDAs	Sieck, 1985	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	64.0	J/mol*K	PHPMS	Sieck, 1985	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	36.8 ± 0.84	kJ/mol	TDAs	Sieck, 1985	gas phase; B

+ Acetonitrile = ( • )

By formula: Na⁺ + C₂H₃N = (Na⁺ • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	128. ± 4.6	kJ/mol	CIDT	Valina, 2001	RCD

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
98.7	298.	IMRE	McMahon and Ohanessian, 2000	Anchor alanine=39.89; RCD

( • Acetonitrile ) + = ( • 2)

By formula: (Na⁺ • C₂H₃N) + C₂H₃N = (Na⁺ • 2C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	109. ± 7.9	kJ/mol	CIDT	Valina, 2001	RCD
Δ_rH°	102.	kJ/mol	HPMS	Davidson and Kebarle, 1976	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	95.0	J/mol*K	HPMS	Davidson and Kebarle, 1976	gas phase; M

( • 2 Acetonitrile ) + = ( • 3)

By formula: (Na⁺ • 2C₂H₃N) + C₂H₃N = (Na⁺ • 3C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	89. ± 3.	kJ/mol	CIDT	Valina, 2001	RCD
Δ_rH°	86.2	kJ/mol	HPMS	Davidson and Kebarle, 1976	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	115.	J/mol*K	HPMS	Davidson and Kebarle, 1976	gas phase; M

( • 3 Acetonitrile ) + = ( • 4)

By formula: (Na⁺ • 3C₂H₃N) + C₂H₃N = (Na⁺ • 4C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	64. ± 3.	kJ/mol	CIDT	Valina, 2001	RCD
Δ_rH°	62.3	kJ/mol	HPMS	Davidson and Kebarle, 1976	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	117.	J/mol*K	HPMS	Davidson and Kebarle, 1976	gas phase; M

( • 4 Acetonitrile ) + = ( • 5)

By formula: (Na⁺ • 4C₂H₃N) + C₂H₃N = (Na⁺ • 5C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	53. ± 3.	kJ/mol	CIDT	Valina, 2001	CH3CN is fifth ligand; RCD
Δ_rH°	53.1	kJ/mol	HPMS	Davidson and Kebarle, 1976	gas phase; Entropy change is questionable; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	172.	J/mol*K	HPMS	Davidson and Kebarle, 1976	gas phase; Entropy change is questionable; M

+ Acetonitrile = ( • )

By formula: O₂^- + C₂H₃N = (O₂^- • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	68.62	kJ/mol	TDAs	Yamdagni, Payzant, et al., 1973	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	72.8	J/mol*K	PHPMS	Yamdagni, Payzant, et al., 1973	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	46.86	kJ/mol	TDAs	Yamdagni, Payzant, et al., 1973	gas phase; B

( • Acetonitrile ) + = ( • 2)

By formula: (O₂^- • C₂H₃N) + C₂H₃N = (O₂^- • 2C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	59.4 ± 2.9	kJ/mol	TDAs	Yamdagni, Payzant, et al., 1973	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	92.0	J/mol*K	PHPMS	Yamdagni, Payzant, et al., 1973	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	32.2 ± 1.7	kJ/mol	TDAs	Yamdagni, Payzant, et al., 1973	gas phase; B

( • 2 Acetonitrile ) + = ( • 3)

By formula: (O₂^- • 2C₂H₃N) + C₂H₃N = (O₂^- • 3C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	49.8 ± 2.5	kJ/mol	TDAs	Yamdagni, Payzant, et al., 1973	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	103.	J/mol*K	PHPMS	Yamdagni, Payzant, et al., 1973	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	18.8 ± 0.84	kJ/mol	TDAs	Yamdagni, Payzant, et al., 1973	gas phase; B

( • 3 Acetonitrile ) + = ( • 4)

By formula: (O₂^- • 3C₂H₃N) + C₂H₃N = (O₂^- • 4C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	39.7 ± 2.1	kJ/mol	TDAs	Yamdagni, Payzant, et al., 1973	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	93.7	J/mol*K	PHPMS	Yamdagni, Payzant, et al., 1973	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	11.7 ± 0.42	kJ/mol	TDAs	Yamdagni, Payzant, et al., 1973	gas phase; B

+ Acetonitrile = ( • )

By formula: Rb⁺ + C₂H₃N = (Rb⁺ • C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	86.6	kJ/mol	HPMS	Davidson and Kebarle, 1976	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	75.7	J/mol*K	HPMS	Davidson and Kebarle, 1976	gas phase; M

( • Acetonitrile ) + = ( • 2)

By formula: (Rb⁺ • C₂H₃N) + C₂H₃N = (Rb⁺ • 2C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	74.1	kJ/mol	HPMS	Davidson and Kebarle, 1976	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	87.4	J/mol*K	HPMS	Davidson and Kebarle, 1976	gas phase; M

( • 2 Acetonitrile ) + = ( • 3)

By formula: (Rb⁺ • 2C₂H₃N) + C₂H₃N = (Rb⁺ • 3C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	65.7	kJ/mol	HPMS	Davidson and Kebarle, 1976	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	104.	J/mol*K	HPMS	Davidson and Kebarle, 1976	gas phase; M

( • 3 Acetonitrile ) + = ( • 4)

By formula: (Rb⁺ • 3C₂H₃N) + C₂H₃N = (Rb⁺ • 4C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	52.3	kJ/mol	HPMS	Davidson and Kebarle, 1976	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	108.	J/mol*K	HPMS	Davidson and Kebarle, 1976	gas phase; M

( • 4 Acetonitrile ) + = ( • 5)

By formula: (Rb⁺ • 4C₂H₃N) + C₂H₃N = (Rb⁺ • 5C₂H₃N)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	46.4	kJ/mol	HPMS	Davidson and Kebarle, 1976	gas phase; Entropy change is questionable; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	136.	J/mol*K	HPMS	Davidson and Kebarle, 1976	gas phase; Entropy change is questionable; M

References

Go To: Top, Ion clustering data, Notes

Shoieb, Aribi, et al., 2001
Shoieb, T.; Aribi, H.; Siu, K.W.M.; Hopkinson, A.C., A Study of Silver(I) Ion-Organometallic Complexes: Ion Structures, Binding Energies, and Substituent Effects, J. Phys. Chem. A, 2001, 105, 4, 710, https://doi.org/10.1021/jp002676m . [all data]

Li, Ross, et al., 1996
Li, C.; Ross, P.; Szulejko, J.; McMahon, T.B., High-Pressure Mass Spectrometric Investigations of the Potential Energy Surfaces of Gas-Phase Sn2 Reactions., J. Am. Chem. Soc., 1996, 118, 39, 9360, https://doi.org/10.1021/ja960565o . [all data]

Markovich, Perera, et al., 1996
Markovich, G.; Perera, L.; Berkowitz, M.L.; Cheshnovsky, O., The Solvation of Cl-, Br-, and I- in Acetonitrile Cluster: Photoelectron Spectroscopy and Molecular Dynamics Simulations., J. Chem. Phys., 1996, 105, 7, 2675, https://doi.org/10.1063/1.472131 . [all data]

Hiraoka, Mizuse, et al., 1988
Hiraoka, K.; Mizuse, S.; Yamabe, S., Solvation of Halide Ions with H₂O and CH₃CN in the Gas Phase, J. Phys. Chem., 1988, 92, 13, 3943, https://doi.org/10.1021/j100324a051 . [all data]

Yamdagni and Kebarle, 1972
Yamdagni, R.; Kebarle, P., Solvation of negative ions by protic and aprotic solvents. Gas phase solvation of halide ions by acetonitrile and water molecules, J. Am. Chem. Soc., 1972, 94, 2940. [all data]

Caldwell, Masucci, et al., 1989
Caldwell, G.W.; Masucci, J.A.; Ikonomou, M.G., Negative Ion Chemical Ionization Mass Spectrometry - Binding of Molecules to Bromide and Iodide Anions, Org. Mass Spectrom., 1989, 24, 1, 8, https://doi.org/10.1002/oms.1210240103 . [all data]

Tanabe, Morgon, et al., 1996
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Notes

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Symbols used in this document:

T Temperature

Δ_rG° Free energy of reaction at standard conditions

Δ_rH° Enthalpy of reaction at standard conditions

Δ_rS° Entropy of reaction at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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T	Temperature
Δ_rG°	Free energy of reaction at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions
Δ_rS°	Entropy of reaction at standard conditions