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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Gas phase thermochemistry data
Go To: Top, Reaction thermochemistry data, Henry's Law 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:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -74.87 | kJ/mol | Review | Chase, 1998 | Data last reviewed in March, 1961 |
ΔfH°gas | -74.6 ± 0.3 | kJ/mol | Review | Manion, 2002 | adopted recommendation of Gurvich, Veyts, et al., 1991; DRB |
ΔfH°gas | -74.5 ± 0.4 | kJ/mol | Ccb | Pittam and Pilcher, 1972 | ALS |
ΔfH°gas | -74.85 ± 0.31 | kJ/mol | Ccb | Prosen and Rossini, 1945 | Hf derived from Heat of Hydrogenation; ALS |
ΔfH°gas | -73.4 ± 1.1 | kJ/mol | Ccb | Roth and Banse, 1932 | Reanalyzed by Cox and Pilcher, 1970, Original value = -75.19 kJ/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°gas | -890.7 ± 0.4 | kJ/mol | Ccb | Pittam and Pilcher, 1972 | Corresponding ΔfHºgas = -74.48 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°gas | -890.35 ± 0.30 | kJ/mol | Ccb | Prosen and Rossini, 1945 | Hf derived from Heat of Hydrogenation; Corresponding ΔfHºgas = -74.822 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°gas | -891.8 ± 1.1 | kJ/mol | Ccb | Roth and Banse, 1932 | Reanalyzed by Cox and Pilcher, 1970, Original value = -887.3 ± 1.0 kJ/mol; Corresponding ΔfHºgas = -73.39 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°gas | -890.16 ± 0.30 | kJ/mol | Cm | Rossini, 1931 | Corresponding ΔfHºgas = -75.010 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°gas | 188.66 ± 0.42 | J/mol*K | N/A | Colwell J.H., 1963 | The calorimetric value is significantly higher than the statistically calculated entropy, 186.26 J/mol*K, which remains the best value for use in thermodynamic calculations [ Vogt G.J., 1976, Friend D.G., 1989, Gurvich, Veyts, et al., 1989]. Earlier the value of 185.3 J/mol*K was calculated from experimental data [ Giauque W.F., 1931]. The value of S(298.15 K)=185.94 J/mol*K was obtained by high accuracy ab initio calculation [ East A.L.L., 1997].; GT |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 186.25 | J/mol*K | Review | Chase, 1998 | Data last reviewed in March, 1961 |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
34.92 ± 0.25 | 279. | Halford J.O., 1957 | GT |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
33.28 | 100. | Gurvich, Veyts, et al., 1989 | p=1 bar. Because of more precise method of calculation, the recommended values are more accurate, especially at high temperatures, than those obtained by [ McDowell R.S., 1963] and often regarded as reference data [ Friend D.G., 1989].; GT |
33.51 | 200. | ||
35.69 | 298.15 | ||
35.76 | 300. | ||
40.63 | 400. | ||
46.63 | 500. | ||
52.74 | 600. | ||
58.60 | 700. | ||
64.08 | 800. | ||
69.14 | 900. | ||
73.75 | 1000. | ||
77.92 | 1100. | ||
81.68 | 1200. | ||
85.07 | 1300. | ||
88.11 | 1400. | ||
90.86 | 1500. | ||
93.33 | 1600. | ||
95.58 | 1700. | ||
97.63 | 1800. | ||
99.51 | 1900. | ||
101.24 | 2000. | ||
102.83 | 2100. | ||
104.31 | 2200. | ||
105.70 | 2300. | ||
107.00 | 2400. | ||
108.23 | 2500. | ||
109.39 | 2600. | ||
110.50 | 2700. | ||
111.56 | 2800. | ||
112.57 | 2900. | ||
113.55 | 3000. |
Gas Phase Heat Capacity (Shomate Equation)
Cp° = A + B*t + C*t2 + D*t3 +
E/t2
H° − H°298.15= A*t + B*t2/2 +
C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 −
E/(2*t2) + G
Cp = heat capacity (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 298. to 1300. | 1300. to 6000. |
---|---|---|
A | -0.703029 | 85.81217 |
B | 108.4773 | 11.26467 |
C | -42.52157 | -2.114146 |
D | 5.862788 | 0.138190 |
E | 0.678565 | -26.42221 |
F | -76.84376 | -153.5327 |
G | 158.7163 | 224.4143 |
H | -74.87310 | -74.87310 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in March, 1961 | Data last reviewed in March, 1961 |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Henry's Law 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° | 1743.6 ± 2.9 | kJ/mol | D-EA | Ellison, Engelking, et al., 1978 | gas phase; B |
ΔrH° | 1749. ± 15. | kJ/mol | CIDT | Graul and Squires, 1990 | gas phase; B |
ΔrH° | >1691.1 ± 0.42 | kJ/mol | G+TS | Bohme, Lee-Ruff, et al., 1972 | gas phase; B |
ΔrH° | 1735.5 | kJ/mol | N/A | Check, Faust, et al., 2001 | gas phase; FeBr3; ; ΔS(EA)=9.3; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1709.8 ± 3.3 | kJ/mol | H-TS | Ellison, Engelking, et al., 1978 | gas phase; B |
ΔrG° | 1715. ± 15. | kJ/mol | H-TS | Graul and Squires, 1990 | gas phase; B |
ΔrG° | >1657.3 | kJ/mol | IMRB | Bohme, Lee-Ruff, et al., 1972 | gas phase; B |
ΔrG° | 1704.1 | kJ/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° | 22. ± 1. | kJ/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
ΔrH° | 25. | kJ/mol | PHPMS | Hiraoka and Kebarle, 1975 | gas phase; M |
ΔrH° | 6.3 | kJ/mol | HPMS | Field and Beggs, 1971 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 104. | J/mol*K | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
ΔrS° | 102. | J/mol*K | PHPMS | Hiraoka and Kebarle, 1975 | gas phase; M |
ΔrS° | 30. | J/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° | 29. ± 1. | kJ/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
ΔrH° | 31. | kJ/mol | PHPMS | Hiraoka and Kebarle, 1975 | gas phase; M |
ΔrH° | 17. | kJ/mol | HPMS | Field and Beggs, 1971 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92.5 | J/mol*K | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
ΔrS° | 87.0 | J/mol*K | PHPMS | Hiraoka and Kebarle, 1975 | gas phase; M |
ΔrS° | 51.9 | J/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° | 23.0 | kJ/mol | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
ΔrH° | 28. | kJ/mol | PHPMS | Hiroka and Kebarle, 1975 | gas phase; M |
ΔrH° | 10. | kJ/mol | HPMS | Field and Beggs, 1971 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92.9 | J/mol*K | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
ΔrS° | 97.9 | J/mol*K | PHPMS | Hiroka and Kebarle, 1975 | gas phase; M |
ΔrS° | 36. | J/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° | 46. | kJ/mol | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84. | J/mol*K | N/A | Kemper, Bushnell, et al., 1993 | gas phase; Entropy change calculated or estimated; M |
Enthalpy of reaction
ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
41. (+5.0,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3. | 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° | 82.8 | J/mol*K | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrS(530 K); M |
Enthalpy of reaction
ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
90.0 (+6.7,-0.) | CID | Haynes and Armentrout, 1996 | gas phase; guided ion beam CID; M | |
90.0 (+5.9,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M | |
94. (+2.,-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° | 95.8 | J/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° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
73. (+3.,-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° | 91.2 | J/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° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
94.6 (+5.0,-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° | 192. ± 15. | kJ/mol | PIMS | Martinho Simões and Beauchamp, 1990 | The reaction enthalpy was derived from the appearance energy of Mn(CO)5(+), 940.7 ± 4.8 kJ/mol, using Mn(CO)5(Me) as the neutral precursor, together with the adiabatic ionization energy of Mn(CO)5 radical, 749. ± 14. kJ/mol Martinho Simões and Beauchamp, 1990; MS |
By formula: (Co+ • CH4) + CH4 = (Co+ • 2CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrS° | 109. | J/mol*K | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrS(500 K); M |
Enthalpy of reaction
ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
95.8 (+5.0,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M | |
104. (+4.2,-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° | 13.1 ± 0.8 | kJ/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
ΔrH° | 17. | kJ/mol | PHPMS | Hiraoka and Kebarle, 1975 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 93.7 | J/mol*K | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
ΔrS° | 109. | J/mol*K | PHPMS | Hiraoka and Kebarle, 1975 | gas phase; M |
By formula: (CH5+ • 3CH4) + CH4 = (CH5+ • 4CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.6 ± 0.8 | kJ/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
ΔrH° | 16. | kJ/mol | PHPMS | Hiraoka and Kebarle, 1975 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 99.2 | J/mol*K | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
ΔrS° | 111. | J/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° | -274.5 ± 2.2 | kJ/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° | 108. | J/mol*K | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; switching reaction(Co+).2CH4, ΔrS(480 K); M |
Enthalpy of reaction
ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
119. (+5.4,-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° | 155. ± 13. | kJ/mol | KinS | Martin and Finke, 1990 | solvent: Ethylene glycol; Please also see Martin and Finke, 1992. The reaction enthalpy relies on 172. ± 13. kJ/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° | 10.8 | kJ/mol | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
ΔrH° | 14. | kJ/mol | PHPMS | Hiraoka and Kebarle, 1976 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 72.8 | J/mol*K | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
ΔrS° | 84. | J/mol*K | PHPMS | Hiraoka and Kebarle, 1976 | gas phase; M |
By formula: HI + CH3I = CH4 + I2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -52.55 ± 0.54 | kJ/mol | Eqk | Golden, Walsh, et al., 1965 | gas phase; ALS |
ΔrH° | -53.0 ± 0.2 | kJ/mol | Eqk | Goy and Pritchard, 1965 | gas phase; ALS |
ΔrH° | -46.2 ± 5.6 | kJ/mol | Cm | Nichol and Ubbelohde, 1952 | gas phase; ALS |
By formula: (C2H5+ • 9CH4) + CH4 = (C2H5+ • 10CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.99 | kJ/mol | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92. | J/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° | 8.28 | kJ/mol | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92. | J/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° | 7.78 | kJ/mol | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84. | J/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° | 6.44 | kJ/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84. | J/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° | 113. | J/mol*K | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrS(525 K); M |
Enthalpy of reaction
ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
108. (+3.,-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° | 14. | kJ/mol | HPMS | Bennet and Field, 1972 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 34. | J/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° | 110. | J/mol*K | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrS(490 K); M |
Enthalpy of reaction
ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
102. (+4.6,-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° | 15. | kJ/mol | HPMS | Bennet and Field, 1972, 2 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 64.9 | J/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° | -317.3 ± 2.0 | kJ/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° | -163.4 ± 1.3 | kJ/mol | Chyd | Lacher, Amador, et al., 1967 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -167.7 ± 1.3 kJ/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° | -341.8 ± 0.8 | kJ/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° | 11.7 ± 0.8 | kJ/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 104. | J/mol*K | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
By formula: (CH5+ • 5CH4) + CH4 = (CH5+ • 6CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.3 ± 0.8 | kJ/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 106. | J/mol*K | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
By formula: (CH5+ • 6CH4) + CH4 = (CH5+ • 7CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.2 ± 0.8 | kJ/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 111. | J/mol*K | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
By formula: (CH5+ • 7CH4) + CH4 = (CH5+ • 8CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.5 ± 0.8 | kJ/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 90.4 | J/mol*K | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
By formula: (C2H5+ • 2CH4) + CH4 = (C2H5+ • 3CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.54 | kJ/mol | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 74.9 | J/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° | 9.46 | kJ/mol | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 77.0 | J/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° | 9.29 | kJ/mol | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 79.1 | J/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° | 9.25 | kJ/mol | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 81.2 | J/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° | 8.91 | kJ/mol | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 86.6 | J/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° | 8.79 | kJ/mol | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 87.9 | J/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° | 8.70 | kJ/mol | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 91.2 | J/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° | 9.46 | kJ/mol | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 77.0 | J/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° | 9.20 | kJ/mol | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 79.5 | J/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° | 9.20 | kJ/mol | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 87.4 | J/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° | 9.16 | kJ/mol | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 87.9 | J/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° | 9.04 | kJ/mol | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 91.2 | J/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° | 9.92 | kJ/mol | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 82.4 | J/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° | 9.87 | kJ/mol | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 83.7 | J/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° | 9.25 | kJ/mol | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 81.2 | J/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° | 8.74 | kJ/mol | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 80.8 | J/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° | 8.58 | kJ/mol | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 82.4 | J/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° | 8.33 | kJ/mol | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84.1 | J/mol*K | PHPMS | Hiraoka, Mori, et al., 1993 | gas phase; M |
Henry's Law data
Go To: Top, Gas phase thermochemistry data, 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 compiled by: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
0.0014 | 1600. | L | N/A | The parameterization given by missing citation (parameters A, B, C) doesn't fit the data in the same paper for this substance. Therefore the parameteriztaion of the solubility data (X1) was recalculated. |
0.0013 | 1900. | Q | N/A | Only the tabulated data between T = 273. K and T = 303. K from missing citation was used to derive kH and -Δ kH/R. Above T = 303. K the tabulated data could not be parameterized by equation (reference missing) very well. The partial pressure of water vapor (needed to convert some Henry's law constants) was calculated using the formula given by missing citation. The quantities A and α from missing citation were assumed to be identical. |
0.0015 | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. | |
0.0013 | L | N/A | ||
0.0013 | 1800. | X | N/A | |
0.0014 | 1700. | L | N/A | |
0.0015 | V | N/A | ||
0.00097 | C | N/A | ||
0.0014 | R | N/A | ||
0.0092 | V | N/A |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Henry's Law 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, Gas phase thermochemistry data, Reaction thermochemistry data, Henry's Law 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.
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Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas S°gas Entropy of gas at standard conditions S°gas,1 bar Entropy of gas at standard conditions (1 bar) T Temperature d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔcH°gas Enthalpy of combustion of gas at standard conditions ΔfH°gas Enthalpy of formation of gas 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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