Methane
- Formula: CH4
- Molecular weight: 16.0425
- IUPAC Standard InChIKey: VNWKTOKETHGBQD-UHFFFAOYSA-N
- CAS Registry Number: 74-82-8
- 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: Marsh gas; Methyl hydride; CH4; Fire Damp; R 50; Biogas; R 50 (refrigerant)
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Reaction thermochemistry data
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, 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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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
CH3- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 416.74 ± 0.70 | kcal/mol | D-EA | Ellison, Engelking, et al., 1978 | gas phase; B |
ΔrH° | 418.0 ± 3.5 | kcal/mol | CIDT | Graul and Squires, 1990 | gas phase; B |
ΔrH° | >404.18 ± 0.10 | kcal/mol | G+TS | Bohme, Lee-Ruff, et al., 1972 | gas phase; B |
ΔrH° | 414.80 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; FeBr3; ; ΔS(EA)=9.3; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 408.66 ± 0.80 | kcal/mol | H-TS | Ellison, Engelking, et al., 1978 | gas phase; B |
ΔrG° | 409.9 ± 3.6 | kcal/mol | H-TS | Graul and Squires, 1990 | gas phase; B |
ΔrG° | >396.10 | kcal/mol | IMRB | Bohme, Lee-Ruff, et al., 1972 | gas phase; B |
ΔrG° | 407.30 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; FeBr3; ; ΔS(EA)=9.3; B |
By formula: (CH5+ • CH4) + CH4 = (CH5+ • 2CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.3 ± 0.3 | kcal/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
ΔrH° | 5.9 | kcal/mol | PHPMS | Hiraoka and Kebarle, 1975 | gas phase; M |
ΔrH° | 1.5 | kcal/mol | HPMS | Field and Beggs, 1971 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.9 | cal/mol*K | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
ΔrS° | 24.4 | cal/mol*K | PHPMS | Hiraoka and Kebarle, 1975 | gas phase; M |
ΔrS° | 7.2 | cal/mol*K | HPMS | Field and Beggs, 1971 | gas phase; Entropy change is questionable; M |
By formula: CH5+ + CH4 = (CH5+ • CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.9 ± 0.3 | kcal/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
ΔrH° | 7.4 | kcal/mol | PHPMS | Hiraoka and Kebarle, 1975 | gas phase; M |
ΔrH° | 4.1 | kcal/mol | HPMS | Field and Beggs, 1971 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.1 | cal/mol*K | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
ΔrS° | 20.8 | cal/mol*K | PHPMS | Hiraoka and Kebarle, 1975 | gas phase; M |
ΔrS° | 12.4 | cal/mol*K | HPMS | Field and Beggs, 1971 | gas phase; Entropy change is questionable; M |
By formula: C2H5+ + CH4 = (C2H5+ • CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.50 | kcal/mol | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
ΔrH° | 6.6 | kcal/mol | PHPMS | Hiroka and Kebarle, 1975 | gas phase; M |
ΔrH° | 2.4 | kcal/mol | HPMS | Field and Beggs, 1971 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.2 | cal/mol*K | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
ΔrS° | 23.4 | cal/mol*K | PHPMS | Hiroka and Kebarle, 1975 | gas phase; M |
ΔrS° | 8.6 | cal/mol*K | HPMS | Field and Beggs, 1971 | gas phase; Entropy change is questionable; M |
By formula: (Co+ • 2CH4) + CH4 = (Co+ • 3CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11. | kcal/mol | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | N/A | Kemper, Bushnell, et al., 1993 | gas phase; Entropy change calculated or estimated; M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
9.8 (+1.2,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
0.7 | 477. | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; Entropy change calculated or estimated; M |
By formula: Co+ + CH4 = (Co+ • CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrS° | 19.8 | cal/mol*K | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrS(530 K); M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
21.5 (+1.6,-0.) | CID | Haynes and Armentrout, 1996 | gas phase; guided ion beam CID; M | |
21.5 (+1.4,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M | |
22.5 (+0.5,-0.) | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrS(530 K); M |
By formula: (Co+ • CH4) + H2 = (Co+ • H2 • CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrS° | 22.9 | cal/mol*K | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; switching reaction(Co+).2H2, ΔrS(440 K); Kemper, Bushnell, et al., 1993, 2; M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
17.4 (+0.8,-0.) | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; switching reaction(Co+).2H2, ΔrS(440 K); Kemper, Bushnell, et al., 1993, 2; M |
By formula: (Co+ • H2) + CH4 = (Co+ • CH4 • H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrS° | 21.8 | cal/mol*K | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; switching reaction(Co+)2H2, ΔrS(440 K); Kemper, Bushnell, et al., 1993, 2; M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
22.6 (+1.2,-0.) | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; switching reaction(Co+)2H2, ΔrS(440 K); Kemper, Bushnell, et al., 1993, 2; M |
(g) = C5MnO5 (g) + (g)
By formula: C6H3MnO5 (g) = C5MnO5 (g) + CH4 (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 45.9 ± 3.6 | kcal/mol | PIMS | Martinho Simões and Beauchamp, 1990 | The reaction enthalpy was derived from the appearance energy of Mn(CO)5(+), 224.8 ± 1.1 kcal/mol, using Mn(CO)5(Me) as the neutral precursor, together with the adiabatic ionization energy of Mn(CO)5 radical, 179. ± 3.3 kcal/mol Martinho Simões and Beauchamp, 1990; MS |
By formula: (Co+ • CH4) + CH4 = (Co+ • 2CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrS° | 26.1 | cal/mol*K | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrS(500 K); M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
22.9 (+1.2,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M | |
24.8 (+1.0,-0.) | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrS(500 K); M |
By formula: (CH5+ • 2CH4) + CH4 = (CH5+ • 3CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.1 ± 0.2 | kcal/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
ΔrH° | 4.1 | kcal/mol | PHPMS | Hiraoka and Kebarle, 1975 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.4 | cal/mol*K | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
ΔrS° | 26.1 | cal/mol*K | PHPMS | Hiraoka and Kebarle, 1975 | gas phase; M |
By formula: (CH5+ • 3CH4) + CH4 = (CH5+ • 4CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.0 ± 0.2 | kcal/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
ΔrH° | 3.9 | kcal/mol | PHPMS | Hiraoka and Kebarle, 1975 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.7 | cal/mol*K | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
ΔrS° | 26.6 | cal/mol*K | PHPMS | Hiraoka and Kebarle, 1975 | gas phase; M |
(g) + CH3BrMg (solution) = (solution) + Br2Mg (solution)
By formula: HBr (g) + CH3BrMg (solution) = CH4 (solution) + Br2Mg (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -65.61 ± 0.53 | kcal/mol | RSC | Holm, 1981 | solvent: Diethyl ether; The enthalpy of formation was calculated using the assumptions and the auxiliary data in Holm, 1981, except for the organic compound, whose enthalpy of formation was quoted from Pedley, 1994; MS |
By formula: (Co+ • CH4) + C2H6 = (Co+ • C2H6 • CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrS° | 25.9 | cal/mol*K | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; switching reaction(Co+).2CH4, ΔrS(480 K); M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
28.4 (+1.3,-0.) | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; switching reaction(Co+).2CH4, ΔrS(480 K); M |
C63H91CoN13O14P (solution) = (solution) + (solution)
By formula: C63H91CoN13O14P (solution) = C63H88CoN14O14P (solution) + CH4 (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 37.0 ± 3.1 | kcal/mol | KinS | Martin and Finke, 1990 | solvent: Ethylene glycol; Please also see Martin and Finke, 1992. The reaction enthalpy relies on 41.0 ± 3.0 kcal/mol for the reaction activation enthalpy. The reaction refers to "base-on" cobalamine.; MS |
By formula: C3H7+ + CH4 = (C3H7+ • CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.59 | kcal/mol | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
ΔrH° | 3.4 | kcal/mol | PHPMS | Hiraoka and Kebarle, 1976 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.4 | cal/mol*K | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
ΔrS° | 20. | cal/mol*K | PHPMS | Hiraoka and Kebarle, 1976 | gas phase; M |
By formula: HI + CH3I = CH4 + I2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -12.56 ± 0.13 | kcal/mol | Eqk | Golden, Walsh, et al., 1965 | gas phase; ALS |
ΔrH° | -12.67 ± 0.05 | kcal/mol | Eqk | Goy and Pritchard, 1965 | gas phase; ALS |
ΔrH° | -11.0 ± 1.3 | kcal/mol | Cm | Nichol and Ubbelohde, 1952 | gas phase; ALS |
By formula: (C2H5+ • 9CH4) + CH4 = (C2H5+ • 10CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.91 | kcal/mol | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | N/A | Hiraoka, Mori, et al., 1993 | gas phase; Entropy change calculated or estimated; M |
By formula: (C3H7+ • 7CH4) + CH4 = (C3H7+ • 8CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.98 | kcal/mol | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | N/A | Hiraoka, Mori, et al., 1993 | gas phase; Entropy change calculated or estimated; M |
By formula: (C4H9+ • 8CH4) + CH4 = (C4H9+ • 9CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.86 | kcal/mol | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | N/A | Hiraoka, Mori, et al., 1993 | gas phase; Entropy change calculated or estimated; M |
By formula: (CH5+ • 8CH4) + CH4 = (CH5+ • 9CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.54 | kcal/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | N/A | Hiraoka and Mori, 1989 | gas phase; Entropy change calculated or estimated; M |
By formula: (Co+ • H2O) + CH4 = (Co+ • CH4 • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrS° | 27.0 | cal/mol*K | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrS(525 K); M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
25.9 (+0.7,-0.) | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrS(525 K); M |
By formula: (H3O+ • CH4) + CH4 = (H3O+ • 2CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.4 | kcal/mol | HPMS | Bennet and Field, 1972 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 8.1 | cal/mol*K | HPMS | Bennet and Field, 1972 | gas phase; Entropy change is questionable; M |
By formula: (Co+ • C2H6) + CH4 = (Co+ • CH4 • C2H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrS° | 26.4 | cal/mol*K | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrS(490 K); M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
24.4 (+1.1,-0.) | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrS(490 K); M |
By formula: H4N+ + CH4 = (H4N+ • CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.6 | kcal/mol | HPMS | Bennet and Field, 1972, 2 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 15.5 | cal/mol*K | HPMS | Bennet and Field, 1972, 2 | gas phase; Entropy change is questionable; M |
By formula: HBr (g) + CH3Li (cr) = CH4 (g) + BrLi (cr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -75.84 ± 0.48 | kcal/mol | RSC | Holm, 1974 | Please also see Pedley and Rylance, 1977. The reaction enthalpy was quoted from Pedley and Rylance, 1977. See Liebman, Martinho Simões, et al., 1995 for comments; MS |
By formula: 2H2 + CH2Cl2 = CH4 + 2HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -39.05 ± 0.30 | kcal/mol | Chyd | Lacher, Amador, et al., 1967 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -40.07 ± 0.30 kcal/mol; At 250 C; ALS |
(l) + ( • 100) (solution) = 2 (g) + ( • 100) (solution)
By formula: C2H6Zn (l) + (H2O4S • 100H2O) (solution) = 2CH4 (g) + (O4SZn • 100H2O) (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -81.7 ± 0.2 | kcal/mol | RSC | Carson, Hartley, et al., 1949 | Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS |
By formula: (CH5+ • 4CH4) + CH4 = (CH5+ • 5CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.8 ± 0.2 | kcal/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.8 | cal/mol*K | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
By formula: (CH5+ • 5CH4) + CH4 = (CH5+ • 6CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.7 ± 0.2 | kcal/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.3 | cal/mol*K | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
By formula: (CH5+ • 6CH4) + CH4 = (CH5+ • 7CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.7 ± 0.2 | kcal/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.5 | cal/mol*K | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
By formula: (CH5+ • 7CH4) + CH4 = (CH5+ • 8CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.0 ± 0.2 | kcal/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.6 | cal/mol*K | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
By formula: (C2H5+ • 2CH4) + CH4 = (C2H5+ • 3CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.28 | kcal/mol | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.9 | cal/mol*K | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
By formula: (C2H5+ • 3CH4) + CH4 = (C2H5+ • 4CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.26 | kcal/mol | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.4 | cal/mol*K | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
By formula: (C2H5+ • 4CH4) + CH4 = (C2H5+ • 5CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.22 | kcal/mol | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.9 | cal/mol*K | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
By formula: (C2H5+ • 5CH4) + CH4 = (C2H5+ • 6CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.21 | kcal/mol | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.4 | cal/mol*K | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
By formula: (C2H5+ • 6CH4) + CH4 = (C2H5+ • 7CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.13 | kcal/mol | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.7 | cal/mol*K | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
By formula: (C2H5+ • 7CH4) + CH4 = (C2H5+ • 8CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.10 | kcal/mol | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.0 | cal/mol*K | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
By formula: (C2H5+ • 8CH4) + CH4 = (C2H5+ • 9CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.08 | kcal/mol | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.8 | cal/mol*K | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
By formula: (C3H7+ • 2CH4) + CH4 = (C3H7+ • 3CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.26 | kcal/mol | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.4 | cal/mol*K | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
By formula: (C3H7+ • 3CH4) + CH4 = (C3H7+ • 4CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.20 | kcal/mol | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.0 | cal/mol*K | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
By formula: (C3H7+ • 4CH4) + CH4 = (C3H7+ • 5CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.20 | kcal/mol | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.9 | cal/mol*K | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
By formula: (C3H7+ • 5CH4) + CH4 = (C3H7+ • 6CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.19 | kcal/mol | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.0 | cal/mol*K | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
By formula: (C3H7+ • 6CH4) + CH4 = (C3H7+ • 7CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.16 | kcal/mol | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.8 | cal/mol*K | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
By formula: (C4H9+ • 2CH4) + CH4 = (C4H9+ • 3CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.37 | kcal/mol | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.7 | cal/mol*K | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
By formula: (C4H9+ • 3CH4) + CH4 = (C4H9+ • 4CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.36 | kcal/mol | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.0 | cal/mol*K | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
By formula: (C4H9+ • 4CH4) + CH4 = (C4H9+ • 5CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.21 | kcal/mol | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.4 | cal/mol*K | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
By formula: (C4H9+ • 5CH4) + CH4 = (C4H9+ • 6CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.09 | kcal/mol | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.3 | cal/mol*K | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
By formula: (C4H9+ • 6CH4) + CH4 = (C4H9+ • 7CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.05 | kcal/mol | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.7 | cal/mol*K | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
By formula: (C4H9+ • 7CH4) + CH4 = (C4H9+ • 8CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.99 | kcal/mol | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.1 | cal/mol*K | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry data, Vibrational and/or electronic energy levels, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to CH4+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 12.61 ± 0.01 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 129.9 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 124.4 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
Appearance energy determinations
De-protonation reactions
CH3- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 416.74 ± 0.70 | kcal/mol | D-EA | Ellison, Engelking, et al., 1978 | gas phase; B |
ΔrH° | 418.0 ± 3.5 | kcal/mol | CIDT | Graul and Squires, 1990 | gas phase; B |
ΔrH° | >404.18 ± 0.10 | kcal/mol | G+TS | Bohme, Lee-Ruff, et al., 1972 | gas phase; B |
ΔrH° | 414.80 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; FeBr3; ; ΔS(EA)=9.3; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 408.66 ± 0.80 | kcal/mol | H-TS | Ellison, Engelking, et al., 1978 | gas phase; B |
ΔrG° | 409.9 ± 3.6 | kcal/mol | H-TS | Graul and Squires, 1990 | gas phase; B |
ΔrG° | >396.10 | kcal/mol | IMRB | Bohme, Lee-Ruff, et al., 1972 | gas phase; B |
ΔrG° | 407.30 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; FeBr3; ; ΔS(EA)=9.3; B |
Vibrational and/or electronic energy levels
Go To: Top, 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 by: Takehiko Shimanouchi
Symmetry: Td Symmetry Number σ = 12
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
a1 | 1 | Sym str | 2917 | A | ia | 2917.0 | gas | |||
e | 2 | Deg deform | 1534 | A | 1533 ia | gas | 1533.6 | Observed through Coriolis interaction with ν4 | ||
f2 | 3 | Deg str | 3019 | A | 3018.9 | gas | 3019.5 | |||
f2 | 4 | Deg deform | 1306 | C | 1306.2 | gas | ||||
Source: Shimanouchi, 1972
Notes
ia | Inactive |
A | 0~1 cm-1 uncertainty |
C | 3~6 cm-1 uncertainty |
References
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Ellison, Engelking, et al., 1978
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Check, Faust, et al., 2001
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Stabilities and Energetics of Pentacoordinated Carbonium Ions. The Isomeric C2H7+ Ions and Some Higher Analogues: C3H9+ and C4H11+,
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Kinetics and thermodynamics of the reaction between iodine and methane and the heat of formation of methyl iodide,
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A thermochemical evaluation of bond strengths in some carbon compounds. part II. Bond strengths based on the reaction CH3I + HI = CH4 + I2,
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Bennet and Field, 1972
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Reversible Reactions of Gaseous Ions. V. The Methane - Water System at Low Temperatures,
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Bennet and Field, 1972, 2
Bennet, S.L.; Field, F.H.,
Reversible Reactions of Gaseous Ions. VI. The NH3 - CH4, H2S - CH4 and CF4 - CH4 Systems at Low Temperatures,
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. [all data]
Holm, 1974
Holm, T.,
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Pedley and Rylance, 1977
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Liebman, Martinho Simões, et al., 1995
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In Lithium Chemistry: A Theoretical and Experimental Overview Wiley: New York, Sapse, A.-M.; Schleyer, P. von Ragué, ed(s)., 1995. [all data]
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Lacher, J.R.; Amador, A.; Park, J.D.,
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Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
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Carson, Hartley, et al., 1949
Carson, A.S.; Hartley, K.; Skinner, H.A.,
Thermochemistry of metal alkyls. Part II.?The bond dissociation energies of some Zn?C and Cd?C bonds, and of Et?I.,
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Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
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Berkowitz, Greene, et al., 1987
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The ionization potentials of CH4 and CD4,
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Chatham, Hils, et al., 1984
Chatham, H.; Hils, D.; Robertson, R.; Gallagher, A.,
Total and partial electron collisional ionization cross sections for CH4, C2H6, SiH4, and Si2H6,
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Plessis, Marmet, et al., 1983
Plessis, P.; Marmet, P.; Dutil, R.,
Ionization and appearance potentials of CH4 by electron impact,
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Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S.,
Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules
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Bieri, Burger, et al., 1977
Bieri, G.; Burger, F.; Heilbronner, E.; Maier, J.P.,
Valence ionization enrgies of hydrocarbons,
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Selim and El-Kholy, 1975
Selim, E.T.M.; El-Kholy, S.B.,
Mass spectrometric ionization and dissociation of methane,
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Debies and Rabalais, 1975
Debies, T.P.; Rabalais, J.W.,
Calculated photoionization cross-sections and angular distributions for the isoelectronic series Ne, HF, H2O, NH3, and CH4,
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Rabalais, Debies, et al., 1974
Rabalais, J.W.; Debies, T.P.; Berkosky, J.L.; Huang, J.-T.J.; Ellison, F.O.,
Calculated photoionization cross sections relative experimental photoionization intensities for a selection of small molecules,
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Morrison and Traeger, 1973
Morrison, J.D.; Traeger, J.C.,
Ionization and dissociation by electron impact. III. CH4 and SiH4,
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Potts and Price, 1972
Potts, A.W.; Price, W.C.,
The photoelectron spectra of methane, silane germane and stannane,
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Finney and Harrison, 1972
Finney, C.D.; Harrison, A.G.,
A third-derivative method for determining electron-impact onset potentials,
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Bergmark, Rabalais, et al., 1972
Bergmark, T.; Rabalais, J.W.; Werme, L.O.; Karlsson, L.; Siegbahn, K.,
High-resolution electron spectra of methane, thiophene, 2-bromothiphene, and 3-bromothiophene
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Rabalais, Bergmark, et al., 1971
Rabalais, J.W.; Bergmark, T.; Werme, L.O.; Karlsson, L.; Siegbahn, K.,
The Jahn-Teller effect in the electron spectrum of methane,
Phys. Scr., 1971, 3, 13. [all data]
Chupka and Berkowitz, 1971
Chupka, W.A.; Berkowitz, J.,
Photoionization of methane: ionization potential and proton affinity of CH4,
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Pullen, Carlson, et al., 1970
Pullen, B.P.; Carlson, T.A.; Moddeman, W.E.; Schweitzer, G.K.; Bull, W.E.,
Photoelectron spectra of methane, silane, germane, methyl fluoride, difluoromethane, and trifluoromethane,
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Brundle, Robin, et al., 1970
Brundle, C.R.; Robin, M.B.; Basch, H.,
Electronic energies and electronic structures of the fluoromethanes,
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Lossing and Semeluk, 1969
Lossing, F.P.; Semeluk, G.P.,
Threshold ionization efficiency curves for monoenergetic electron impact on H2, D2, CH4 and CD4,
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Williams and Hamill, 1968
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Ionization potentials of molecules and free radicals and appearance potentials by electron impact in the mass spectrometer,
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Villarejo, Stockbauer, et al., 1968
Villarejo, D.; Stockbauer, R.; Inghram, M.G.,
Measurement of threshold electrons in the photoionization of small molecules,
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Cermak, 1968
Cermak, V.,
Penning ionization electron spectroscopy. I. Determination of ionization potentials of polyatomic molecules,
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Baker, Baker, et al., 1968
Baker, A.D.; Baker, C.; Brundle, C.R.; Turner, D.W.,
The electronic structures of methane, ethane, ethylene and formaldehyde studied by high-resolution molecular photoelectron spectroscopy,
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Brehm, 1966
Brehm, B.,
Massenspektrometrische Untersuchung der Photoionisation von Molekulen,
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Nicholson, 1965
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Photoionization-efficiency curves. II. False and genuine structure,
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Dibeler, Krauss, et al., 1965
Dibeler, V.H.; Krauss, M.; Reese, R.M.; Harllee, F.N.,
Mass-spectrometric study of photoionization. III. Methane and methane-d4,
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Melton and Hamill, 1964
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Appearance potentials by the retarding potential-difference method for secondary ions produced by excited-neutral, excited ion-neutral, and ion-neutral reactions,
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Bieri and Asbrink, 1980
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30.4-nm He(II) photoelectron spectra of organic molecules,
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Harshbarger, Robin, et al., 1973
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The electron impact spectra of the fluoromethanes,
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McCulloh and Dibeler, 1976
McCulloh, K.E.; Dibeler, V.H.,
Enthalpy of formation of methyl and methylene radicals of photoionization studies of methane and ketene,
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Chupka, 1968
Chupka, W.A.,
Mass-spectrometric study of the photoionization of methane,
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Stockbauer, 1977
Stockbauer, R.,
A threshold photoelectron-photoion coincidence mass spectrometer for measureing ion kinetic energy release on fragmentation,
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Lossing and Semeluk, 1970
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Free radicals by mass spectrometry. XLII.Ionization potentials and ionic heats of formation for C1-C4 alkyl radicals,
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Locht, Olivier, et al., 1979
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Dissociative autoionization as a mechanism for the proton formation from methane and methane-d4 by low energy electron impact,
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Appell and Kubach, 1971
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On the formation of energetic protons by electron impact on methane,
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Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy T Temperature 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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
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