Methane, nitro-
- Formula: CH3NO2
- Molecular weight: 61.0400
- IUPAC Standard InChIKey: LYGJENNIWJXYER-UHFFFAOYSA-N
- CAS Registry Number: 75-52-5
- 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: Nitromethane; Nitrocarbol; CH3NO2; Nitrometan; UN 1261; NM; NSC 428
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry 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 | -19.3 ± 0.3 | kcal/mol | Ccb | Knobel, Miroshnichenko, et al., 1971 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry 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 | -26.9 ± 0.1 | kcal/mol | Ccb | Lebedeva and Ryadenko, 1973 | ALS |
ΔfH°liquid | -27.03 ± 0.15 | kcal/mol | Ccb | Cass, Fletcher, et al., 1958 | Reanalyzed by Cox and Pilcher, 1970, Original value = -22.2 ± 0.3 kcal/mol; ALS |
ΔfH°liquid | -21.28 ± 0.18 | kcal/mol | Ccb | Holcomb and Dorsey, 1949 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -169.6 ± 0.1 | kcal/mol | Ccb | Lebedeva and Ryadenko, 1973 | ALS |
ΔcH°liquid | -168.0 ± 0.3 | kcal/mol | Ccb | Knobel, Miroshnichenko, et al., 1971 | ALS |
ΔcH°liquid | -169.49 ± 0.14 | kcal/mol | Ccb | Cass, Fletcher, et al., 1958 | Reanalyzed by Cox and Pilcher, 1970, Original value = -174.4 ± 0.3 kcal/mol; ALS |
ΔcH°liquid | -175.25 ± 0.18 | kcal/mol | Ccb | Holcomb and Dorsey, 1949 | ALS |
ΔcH°liquid | -169.5 | kcal/mol | Ccb | Swientoslawski, 1910 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 41.049 | cal/mol*K | N/A | Jones and Giauque, 1947 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
25.387 | 308. | Berman and West, 1969 | T = 308 to 473 K.; DH |
26.00 | 313. | Hough, Mason, et al., 1950 | T = 313 to 363 K.; DH |
25.330 | 298.15 | Jones and Giauque, 1947 | T = 15 to 300 K.; DH |
23.9 | 298. | Williams, 1925 | T = 288 to 343 K. Equation only.; DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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
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.
Individual Reactions
CH2NO2- + =
By formula: CH2NO2- + H+ = CH3NO2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 358.0 ± 5.0 | kcal/mol | D-EA | Metz, Cyr, et al., 1991 | gas phase; B |
ΔrH° | 356.4 ± 2.2 | kcal/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrH° | 357.4 ± 2.9 | kcal/mol | G+TS | Cumming and Kebarle, 1978 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 349.7 ± 2.0 | kcal/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrG° | 350.7 ± 2.0 | kcal/mol | IMRE | Cumming and Kebarle, 1978 | gas phase; B |
ΔrG° | 350.7 ± 2.0 | kcal/mol | IMRE | MacKay and Bohme, 1978 | gas phase; EA: < NO2; B |
By formula: Cl- + CH3NO2 = (Cl- • CH3NO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.60 ± 0.60 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
ΔrH° | 16.70 ± 0.10 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B,M |
ΔrH° | 16.3 ± 3.0 | kcal/mol | IMRB | Riveros, Breda, et al., 1973 | gas phase; Anchored: Larson and McMahon, 1984; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.1 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.20 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
ΔrG° | 11.60 ± 0.10 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
By formula: (Cl- • CH3NO2) + CH3NO2 = (Cl- • 2CH3NO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.00 ± 0.50 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
ΔrH° | 13.10 ± 0.10 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.3 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.70 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
ΔrG° | 7.60 ± 0.30 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
By formula: NO2- + CH3NO2 = (NO2- • CH3NO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.50 ± 0.50 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
ΔrH° | 14.30 ± 0.10 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 15.5 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.80 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
ΔrG° | 9.70 ± 0.20 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
By formula: C6H7N+ + CH3NO2 = (C6H7N+ • CH3NO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.4 | kcal/mol | PHPMS | Meot-Ner (Mautner) and El-Shall, 1986 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18. | cal/mol*K | N/A | Meot-Ner (Mautner) and El-Shall, 1986 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
8.2 | 343. | PHPMS | Meot-Ner (Mautner) and El-Shall, 1986 | gas phase; Entropy change calculated or estimated; M |
(CH3NO2- • ) +
= (CH3NO2- • 2
)
By formula: (CH3NO2- • CH3NO2) + CH3NO2 = (CH3NO2- • 2CH3NO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13. ± 35. | kcal/mol | N/A | Compton, Carman Jr., et al., 1996 | gas phase; shift in electron detachment from less solvated ion; B |
ΔrH° | 12.80 ± 0.30 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.90 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
By formula: CH6N+ + CH3NO2 = (CH6N+ • CH3NO2)
Bond type: Hydrogen bonds of the type NH+-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20.5 | kcal/mol | PHPMS | Meot-Ner, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.0 | cal/mol*K | PHPMS | Meot-Ner, 1984 | gas phase; M |
By formula: CH2NO2- + CH3NO2 = C2H5N2O4-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.90 ± 0.50 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.40 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
C3H9N3O6- + 3 = C4H12N4O8-
By formula: C3H9N3O6- + 3CH3NO2 = C4H12N4O8-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.40 ± 0.50 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.80 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
By formula: C2H5N2O4- + 2CH3NO2 = C3H8N3O6-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.30 ± 0.70 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.80 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
C3H8N3O6- + 3 = C4H11N4O8-
By formula: C3H8N3O6- + 3CH3NO2 = C4H11N4O8-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.60 ± 0.50 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.10 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
C4H11N4O8- + 4 = C5H14N5O10-
By formula: C4H11N4O8- + 4CH3NO2 = C5H14N5O10-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.40 ± 0.20 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.60 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
By formula: C2H6N2O6- + 2CH3NO2 = C3H9N3O8-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.90 ± 0.60 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.70 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
C4H12N4O8- + 4 = C5H15N5O10-
By formula: C4H12N4O8- + 4CH3NO2 = C5H15N5O10-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.40 ± 0.20 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.40 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
C3H9N3O8- + 3 = C4H12N4O10-
By formula: C3H9N3O8- + 3CH3NO2 = C4H12N4O10-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.50 ± 0.90 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.30 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
By formula: CH3N2O4- + 2CH3NO2 = C2H6N3O6-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.40 ± 0.50 | kcal/mol | N/A | Wincel, 2003 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.40 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
C2H6ClN2O4- + 3 = C3H9ClN3O6-
By formula: C2H6ClN2O4- + 3CH3NO2 = C3H9ClN3O6-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.10 ± 0.50 | kcal/mol | N/A | Wincel, 2003 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.70 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
By formula: C11H10+ + CH3NO2 = (C11H10+ • CH3NO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.2 | kcal/mol | PHPMS | El-Shall and Meot-Ner (Mautner), 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.3 | cal/mol*K | PHPMS | El-Shall and Meot-Ner (Mautner), 1987 | gas phase; M |
By formula: C2H6N3O6- + 3CH3NO2 = C3H9N4O8-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.30 ± 0.80 | kcal/mol | N/A | Wincel, 2003 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.30 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
C3H9N4O8- + 4 = C4H12N5O10-
By formula: C3H9N4O8- + 4CH3NO2 = C4H12N5O10-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.70 ± 0.30 | kcal/mol | N/A | Wincel, 2003 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.60 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
By formula: C5H10NO2+ + CH3NO2 = (C5H10NO2+ • CH3NO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.5 | kcal/mol | HPMS | Meot-Ner and Field, 1974 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.6 | cal/mol*K | HPMS | Meot-Ner and Field, 1974 | gas phase; M |
By formula: C5H12NO2+ + CH3NO2 = (C5H12NO2+ • CH3NO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.8 | kcal/mol | HPMS | Meot-Ner and Field, 1974 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.8 | cal/mol*K | HPMS | Meot-Ner and Field, 1974 | gas phase; M |
C3H9ClN3O6- + 4 = C4H12ClN4O8-
By formula: C3H9ClN3O6- + 4CH3NO2 = C4H12ClN4O8-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.6 ± 1.0 | kcal/mol | N/A | Wincel, 2003 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.70 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
C4H12N4O10- + 4 = C5H15N5O12-
By formula: C4H12N4O10- + 4CH3NO2 = C5H15N5O12-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.00 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.60 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
By formula: Li+ + CH3NO2 = (Li+ • CH3NO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 39.5 | kcal/mol | ICR | Staley and Beauchamp, 1975 | gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970; M |
By formula: CH3NO2- + CH3NO2 = (CH3NO2- • CH3NO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.20 ± 0.20 | kcal/mol | N/A | Compton, Carman Jr., et al., 1996 | gas phase; Shift in electron detachment from non-solvated ion; B |
+
= CH3BrNO2-
By formula: Br- + CH3NO2 = CH3BrNO2-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 9.6 ± 2.0 | kcal/mol | IMRE | Tanabe, Morgon, et al., 1996 | gas phase; Anchored to H2O..Br- of Hiraoka, Mizure, et al., 19882; B |
By formula: I- + CH3NO2 = (I- • CH3NO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.2 ± 1.0 | kcal/mol | TDAs | Caldwell, Masucci, et al., 1989 | gas phase; B,M |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Knobel, Miroshnichenko, et al., 1971
Knobel, Y.K.; Miroshnichenko, E.A.; Lebedev, Y.A.,
Heats of combustion of nitromethane and dinitromethane: enthalpies of formation of nitromethyl radicals and energies of dissociation of bonds in nitro derivatives of methane,
Bull. Acad. Sci. USSR, Div. Chem. Sci., 1971, 425-428. [all data]
Lebedeva and Ryadenko, 1973
Lebedeva, N.D.; Ryadenko, V.L.R.,
Enthalpies of formation of nitroalkanes,
Russ. J. Phys. Chem. (Engl. Transl.), 1973, 47, 1382. [all data]
Cass, Fletcher, et al., 1958
Cass, R.C.; Fletcher, S.E.; Mortimer, C.T.; Quincey, P.G.; Springall, H.D.,
Heats of combustion and molecular structure. Part IV. Aliphatic nitroalkanes and nitric esters,
J. Chem. Soc., 1958, 958-962. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Holcomb and Dorsey, 1949
Holcomb, D.E.; Dorsey, C.L., Jr.,
Thermodynamic properties of nitroparaffins,
Ind. Eng. Chem., 1949, 41, 2788-2792. [all data]
Swientoslawski, 1910
Swientoslawski, W.,
Thermochemische Untersuchungen der organischen Verbindungen. Dritte Mitteilung. Stickstoffhaltige Verbindungen.,
Z. Phys. Chem., 1910, 72, 49-83. [all data]
Jones and Giauque, 1947
Jones, W.M.; Giauque, W.F.,
The entropy of nitromethane. Heat capacity of solid and liquid. Vapor pressure, heats of fusion and vaporization,
J. Am. Chem. Soc., 1947, 69, 983-987. [all data]
Berman and West, 1969
Berman, H.A.; West, E.D.,
Heat capacity of liquid nitromethane from 35 to 200°C,
J. Chem. Eng. Data, 1969, 14, 107-109. [all data]
Hough, Mason, et al., 1950
Hough, E.W.; Mason, D.M.; Sage, B.H.,
Heat capacities of several organic liquids,
J. Am. Chem. Soc., 1950, 72, 5775-5777. [all data]
Williams, 1925
Williams, J.W.,
A study of the physical properties of nitromethane,
J. Am. Chem. Soc., 1925, 47, 2644-2652. [all data]
Metz, Cyr, et al., 1991
Metz, R.B.; Cyr, D.R.; Neumark, D.M.,
Study of the 2B1 and 2A2 States of CH2NO2 via Ultraviolet Photoelectron Spectroscopy of the CH2NO2- Anion,
J. Phys. Chem., 1991, 95, 7, 2900, https://doi.org/10.1021/j100160a047
. [all data]
Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr.,
The gas phase acidity scale from methanol to phenol,
J. Am. Chem. Soc., 1979, 101, 6047. [all data]
Cumming and Kebarle, 1978
Cumming, J.B.; Kebarle, P.,
Summary of gas phase measurements involving acids AH. Entropy changes in proton transfer reactions involving negative ions. Bond dissociation energies D(A-H) and electron affinities EA(A),
Can. J. Chem., 1978, 56, 1. [all data]
MacKay and Bohme, 1978
MacKay, G.I.; Bohme, D.K.,
Proton-Transfer Reactions in Nitromethane at 297K,
Int. J. Mass Spectrom. Ion Phys., 1978, 26, 4, 327, https://doi.org/10.1016/0020-7381(78)80052-7
. [all data]
Wincel, 2003
Wincel, H.,
Gas-phase Solvation of Cl-, NO2-, CH2NO2-, CH3NO2-, and CH3NO4- by CH3NO2,
Int. J. Mass Spectrom., 2003, 226, 3, 341-353, https://doi.org/10.1016/S1387-3806(03)00066-6
. [all data]
Sieck, 1985
Sieck, L.W.,
Thermochemistry of Solvation of NO2- and C6H5NO2- by Polar Molecules in the Vapor Phase. Comparison with Cl- and Variation with Ligand Structure.,
J. Phys. Chem., 1985, 89, 25, 5552, https://doi.org/10.1021/j100271a049
. [all data]
Riveros, Breda, et al., 1973
Riveros, J.M.; Breda, A.C.; Blair, L.K.,
Formation and relative stability of chloride ion clusters in the gas phase by ICR spectroscopy,
J. Am. Chem. Soc., 1973, 95, 4066. [all data]
Larson and McMahon, 1984
Larson, J.W.; McMahon, T.B.,
Fluoride and chloride affinities of main group oxides, fluorides, oxofluorides, and alkyls. Quantitative scales of lewis acidities from ion cyclotron resonance halide-exchange equilibria,
J. Phys. Chem., 1984, 88, 1083. [all data]
Meot-Ner (Mautner) and El-Shall, 1986
Meot-Ner (Mautner), M.; El-Shall, M.S.,
Ionic Charge Transfer Complexes. 1. Cationic Complexes with Delocalized and Partially Localized pi Systems,
J. Am. Chem. Soc., 1986, 108, 15, 4386, https://doi.org/10.1021/ja00275a026
. [all data]
Compton, Carman Jr., et al., 1996
Compton, R.N.; Carman Jr.; Desfrancois, C.; Abdoul-Carmine, H.; Schermann, J.P.; Hendricks, J.H.,
On the binding of Electrons to Nitromethane: Dipole and Valence Bound Anions,
J. Chem. Phys., 1996, 105, 9, 3472, https://doi.org/10.1063/1.472993
. [all data]
Meot-Ner, 1984
Meot-Ner, (Mautner)M.,
The Ionic Hydrogen Bond and Ion Solvation. 1. -NH+ O-, -NH+ N- and -OH+ O- Bonds. Correlations with Proton Affinity. Deviations Due to Structural Effects,
J. Am. Chem. Soc., 1984, 106, 5, 1257, https://doi.org/10.1021/ja00317a015
. [all data]
El-Shall and Meot-Ner (Mautner), 1987
El-Shall, M.S.; Meot-Ner (Mautner), M.,
Ionic Charge Transfer Complexes. 3. Delocalised pi Systems as Electron Acceptors and Donors,
J. Phys. Chem., 1987, 91, 5, 1088, https://doi.org/10.1021/j100289a017
. [all data]
Meot-Ner and Field, 1974
Meot-Ner, (Mautner); Field, F.H.,
Solvation and Association of Protonated Gaseous Amino Acids,
J. Am. Chem. Soc., 1974, 96, 10, 3168, https://doi.org/10.1021/ja00817a024
. [all data]
Staley and Beauchamp, 1975
Staley, R.H.; Beauchamp, J.L.,
Intrinsic Acid - Base Properties of Molecules. Binding Energies of Li+ to pi - and n - Donor Bases,
J. Am. Chem. Soc., 1975, 97, 20, 5920, https://doi.org/10.1021/ja00853a050
. [all data]
Dzidic and Kebarle, 1970
Dzidic, I.; Kebarle, P.,
Hydration of the Alkali Ions in the Gas Phase. Enthalpies and Entropies of Reactions M+(H2O)n-1 + H2O = M+(H2O)n,
J. Phys. Chem., 1970, 74, 7, 1466, https://doi.org/10.1021/j100702a013
. [all data]
Tanabe, Morgon, et al., 1996
Tanabe, F.K.J.; Morgon, N.H.; Riveros, J.M.,
Relative Bromide and Iodide Affinity of Simple Solvent Molecules Determined by FT-ICR,
J. Phys. Chem., 1996, 100, 8, 2862-2866, https://doi.org/10.1021/jp952290p
. [all data]
Hiraoka, Mizure, et al., 1988
Hiraoka, K.; Mizure, S.; Yamabe, S.; Nakatsuji, Y.,
Gas Phase Clustering Reactions of CN- and CH2CN- with MeCN,
Chem. Phys. Lett., 1988, 148, 6, 497, https://doi.org/10.1016/0009-2614(88)80320-8
. [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]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions T Temperature 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 ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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