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, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), 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 | -17.89 | kcal/mol | Review | Chase, 1998 | Data last reviewed in March, 1961 |
ΔfH°gas | -17.8 ± 0.07 | kcal/mol | Review | Manion, 2002 | adopted recommendation of Gurvich, Veyts, et al., 1991; DRB |
ΔfH°gas | -17.8 ± 0.1 | kcal/mol | Ccb | Pittam and Pilcher, 1972 | ALS |
ΔfH°gas | -17.889 ± 0.075 | kcal/mol | Ccb | Prosen and Rossini, 1945 | Hf derived from Heat of Hydrogenation; ALS |
ΔfH°gas | -17.54 ± 0.26 | kcal/mol | Ccb | Roth and Banse, 1932 | Reanalyzed by Cox and Pilcher, 1970, Original value = -17.97 kcal/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°gas | -212.88 ± 0.09 | kcal/mol | Ccb | Pittam and Pilcher, 1972 | Corresponding ΔfHºgas = -17.80 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°gas | -212.798 ± 0.072 | kcal/mol | Ccb | Prosen and Rossini, 1945 | Hf derived from Heat of Hydrogenation; Corresponding ΔfHºgas = -17.883 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°gas | -213.14 ± 0.26 | kcal/mol | Ccb | Roth and Banse, 1932 | Reanalyzed by Cox and Pilcher, 1970, Original value = -212.07 ± 0.25 kcal/mol; Corresponding ΔfHºgas = -17.54 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°gas | -212.753 ± 0.072 | kcal/mol | Cm | Rossini, 1931 | Corresponding ΔfHºgas = -17.928 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°gas | 45.09 ± 0.10 | cal/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 | 44.515 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in March, 1961 |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
8.346 ± 0.060 | 279. | Halford J.O., 1957 | GT |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
7.954 | 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 |
8.009 | 200. | ||
8.530 | 298.15 | ||
8.547 | 300. | ||
9.711 | 400. | ||
11.14 | 500. | ||
12.61 | 600. | ||
14.01 | 700. | ||
15.32 | 800. | ||
16.52 | 900. | ||
17.63 | 1000. | ||
18.62 | 1100. | ||
19.52 | 1200. | ||
20.33 | 1300. | ||
21.06 | 1400. | ||
21.72 | 1500. | ||
22.31 | 1600. | ||
22.84 | 1700. | ||
23.33 | 1800. | ||
23.78 | 1900. | ||
24.197 | 2000. | ||
24.577 | 2100. | ||
24.931 | 2200. | ||
25.263 | 2300. | ||
25.574 | 2400. | ||
25.868 | 2500. | ||
26.145 | 2600. | ||
26.410 | 2700. | ||
26.663 | 2800. | ||
26.905 | 2900. | ||
27.139 | 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 (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 298. to 1300. | 1300. to 6000. |
---|---|---|
A | -0.168028 | 20.50960 |
B | 25.92670 | 2.692321 |
C | -10.16290 | -0.505293 |
D | 1.401240 | 0.033028 |
E | 0.162181 | -6.315060 |
F | -18.36610 | -36.69520 |
G | 37.93411 | 53.63631 |
H | -17.89510 | -17.89510 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in March, 1961 | Data last reviewed in March, 1961 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 111. ± 2. | K | AVG | N/A | Average of 13 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 85.7 | K | N/A | Streng, 1971 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tfus | 90.6 | K | N/A | Van't Zelfde, Omar, et al., 1968 | Uncertainty assigned by TRC = 0.3 K; TRC |
Tfus | 91.2 | K | N/A | Timmermans, 1935 | Uncertainty assigned by TRC = 2. K; TRC |
Tfus | 90.6 | K | N/A | Clusius, 1929 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tfus | 90.5 | K | N/A | Eucken and Karwat, 1924 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 90.67 ± 0.03 | K | AVG | N/A | Average of 25 out of 32 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ptriple | 0.1154 ± 0.0006 | atm | AVG | N/A | Average of 20 out of 23 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 190.6 ± 0.3 | K | AVG | N/A | Average of 19 out of 23 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 45.5 ± 0.3 | atm | AVG | N/A | Average of 16 out of 21 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.09860 | l/mol | N/A | Ambrose and Tsonopoulos, 1995 | |
Vc | 0.09852 | l/mol | N/A | Younglove and Ely, 1987 | TRC |
Vc | 0.100 | l/mol | N/A | Terry, Lynch, et al., 1969 | Uncertainty assigned by TRC = 0.001 l/mol; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 10.1 ± 0.2 | mol/l | AVG | N/A | Average of 16 out of 17 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
2.036 | 99.54 | N/A | Vogt and Pitzer, 1976 | P = 2.81 kPa Data from Frank and Clusius, 1937 and 39FRA/CLU.; DH |
2.1 | 101. | N/A | Stock, Henning, et al., 2006 | Based on data from 92. to 110. K. See also Boublik, Fried, et al., 1984.; AC |
2.1 | 105. | A | Stephenson and Malanowski, 1987 | Based on data from 90. to 120. K.; AC |
2.0 | 134. | A | Stephenson and Malanowski, 1987 | Based on data from 115. to 149. K.; AC |
2.1 | 174. | A | Stephenson and Malanowski, 1987 | Based on data from 148. to 189. K.; AC |
1.95 | 111.7 | N/A | Majer and Svoboda, 1985 | |
2.1 | 112. | N/A | Ott, Goates, et al., 1972 | Based on data from 91. to 127. K. See also Boublik, Fried, et al., 1984.; AC |
2.0 | 175. | N/A | Ott, Goates, et al., 1972 | Based on data from 91. to 190. K.; AC |
1.9 | 137. | N/A | Reid, 1972 | AC |
2.1 | 175. | N/A | Ambrose, Counsell, et al., 1970 | Based on data from 100. to 190. K.; AC |
2.0 | 112. | C | Hestermans and White, 1961 | AC |
1.8 | 130. | C | Hestermans and White, 1961 | AC |
1.4 | 160. | C | Hestermans and White, 1961 | AC |
0.96 | 180. | C | Hestermans and White, 1961 | AC |
2.0 | 149. | N/A | Hestermans and White, 1961 | Based on data from 109. to 189. K.; AC |
2.0 ± 0.02 | 99. | N/A | Frank and Clusius, 1939 | AC |
Enthalpy of vaporization
ΔvapH = A exp(-αTr)
(1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kcal/mol)
Tr = reduced temperature (T / Tc)
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Temperature (K) | 112. to 180. |
---|---|
A (kcal/mol) | 2.416 |
α | -0.22 |
β | 0.388 |
Tc (K) | 190.6 |
Reference | Majer and Svoboda, 1985 |
Entropy of vaporization
ΔvapS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
20.45 | 99.54 | Vogt and Pitzer, 1976 | P; DH |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
90.99 to 189.99 | 3.9838 | 443.028 | -0.49 | Prydz and Goodwin, 1972 | Coefficents calculated by NIST from author's data. |
96.89 to 110.19 | 1.99682 | 125.819 | -48.823 | Regnier, 1972 | Coefficents calculated by NIST from author's data. |
93.04 to 107.84 | 3.79664 | 403.106 | -5.479 | Cutler and Morrison, 1965 | Coefficents calculated by NIST from author's data. |
110.00 to 190.5 | 4.21490 | 516.689 | 11.223 | Hestermans and White, 1961 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
2.3 | 72. | N/A | Stephenson and Malanowski, 1987 | Based on data from 53. to 91. K.; AC |
2.2 | 72. | N/A | Bondi, 1963 | Based on data from 54. to 90. K. See also Armstrong, Brickwedde, et al., 1955.; AC |
2.39 | 84. | N/A | Jones, 1960 | Based on data from 79. to 89. K.; AC |
2.3 | 63. | A,MS | Tickner and Lossing, 1951 | Based on data from 48. to 78. K.; AC |
2.30 | 77. | A | Stull, 1947 | Based on data from 67. to 88. K.; AC |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.02236 | 20.53 | crystaline, II | crystaline, I | Vogt and Pitzer, 1976 | Lambda transition.; DH |
0.2245 | 90.67 | crystaline, I | liquid | Vogt and Pitzer, 1976 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
1.089 | 20.53 | crystaline, II | crystaline, I | Vogt and Pitzer, 1976 | Lambda; DH |
2.476 | 90.67 | crystaline, I | liquid | Vogt and Pitzer, 1976 | DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), 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 |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Phase change 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | D.HENNEBERG, MAX-PLANCK INSTITUTE, MULHEIM, WEST GERMANY |
NIST MS number | 61313 |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), 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
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- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Pc Critical pressure Ptriple Triple point pressure S°gas Entropy of gas at standard conditions S°gas,1 bar Entropy of gas at standard conditions (1 bar) T Temperature Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature Vc Critical volume ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition 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 ΔsubH Enthalpy of sublimation ΔvapH Enthalpy of vaporization ΔvapS Entropy of vaporization ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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