Chloromethane
- Formula: CH3Cl
- Molecular weight: 50.488
- IUPAC Standard InChIKey: NEHMKBQYUWJMIP-UHFFFAOYSA-N
- CAS Registry Number: 74-87-3
- 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: Methane, chloro-; Methyl chloride; Artic; Freon 40; Monochloromethane; CH3Cl; Chloor-methaan; Chlor-methan; Chlorure de methyle; Clorometano; Cloruro di metile; Methylchlorid; Metylu chlorek; R 40; Rcra waste number U045; UN 1063; Refrigerant R40
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Gas Chromatography, 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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -20.00 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1972 |
ΔfH°gas | -19.6 ± 0.36 | kcal/mol | Review | Manion, 2002 | adopted flame calorimetry data of Fletcher and Pilcher, 1971 with increased uncertainty to reflect other data; DRB |
ΔfH°gas | -19.59 ± 0.16 | kcal/mol | Ccb | Fletcher and Pilcher, 1971, 2 | ALS |
ΔfH°gas | -20.53 ± 0.14 | kcal/mol | Chyd | Lacher, Emery, et al., 1956 | Reanalyzed by Cox and Pilcher, 1970, Original value = -20.63 ± 0.14 kcal/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°gas | -182.6 ± 0.12 | kcal/mol | Ccb | Fletcher and Pilcher, 1971, 2 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 56.013 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1972 |
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 1200. | 1200. to 6000. |
---|---|---|
A | 0.842421 | 21.19190 |
B | 32.72651 | 2.406392 |
C | -19.63240 | -0.460979 |
D | 4.834601 | 0.030638 |
E | 0.066451 | -4.724761 |
F | -21.31930 | -36.45581 |
G | 48.47971 | 68.45160 |
H | -20.00000 | -20.00000 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in June, 1972 | Data last reviewed in June, 1972 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Gas Chromatography, 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.
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -24.47 ± 0.36 | kcal/mol | Review | Manion, 2002 | derived from recommended ΔfHgas° and ΔvapH°; DRB |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 33.480 | cal/mol*K | N/A | Messerly and Aston, 1940 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
19.3 | 293.15 | Awberg and Griffiths, 1940 | T = 243 to 303 K. Cp reported at 20°C = 1.598 J/g*K and at 30°C = 1.632 J/g*K.; DH |
18.07 | 249.67 | Messerly and Aston, 1940 | T = 12 to 249.67 K. Value is unsmoothed experimental datum.; DH |
19.4 | 298. | Shorthose, 1924 | T = -30 to 40°C.; DH |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Gas Chromatography, 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
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 247. ± 10. | K | AVG | N/A | Average of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 182. | K | N/A | Awbery, 1941 | Uncertainty assigned by TRC = 1.5 K; TRC |
Tfus | 175.55 | K | N/A | Timmermans, 1921 | Uncertainty assigned by TRC = 0.4 K; TRC |
Tfus | 176.5 | K | N/A | Timmermans, 1911 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 175.43 | K | N/A | Messerly and Aston, 1940, 2 | Uncertainty assigned by TRC = 0.07 K; from T vs 1/f in a calorimter, Resistance thermomter and thermocouple gave same temperature, temp. scale in previous publication; TRC |
Ttriple | 175.44 | K | N/A | Messerly and Aston, 1940, 2 | Uncertainty assigned by TRC = 0.05 K; from T vs 1/f in adiabatic calorimeter, temp. meas. with resistance thermometer & two thermocouples, temp scale described in previous publication; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ptriple | 0.008587 | atm | N/A | Messerly and Aston, 1940, 2 | Uncertainty assigned by TRC = 0.000013 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 416. ± 1. | K | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 66.266 | atm | N/A | Mansoorian, Hall, et al., 1981 | Uncertainty assigned by TRC = 0.0066 atm; VP measured up to 408 K,; TRC |
Pc | 65.9190 | atm | N/A | Hsu and McKetta, 1964 | Uncertainty assigned by TRC = 0.0400 atm; TRC |
Pc | 65.93 | atm | N/A | Leduc, 1909 | Uncertainty assigned by TRC = 2.0000 atm; TRC |
Pc | 73.03 | atm | N/A | Vincent and Chappuis, 1886 | Uncertainty assigned by TRC = 3.0000 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 7.1895 | mol/l | N/A | Hsu and McKetta, 1964 | Uncertainty assigned by TRC = 0.006 mol/l; TRC |
ρc | 7.33 | mol/l | N/A | Centnerszwer, 1904 | Uncertainty assigned by TRC = 0.1 mol/l; extrapolation of rectilnear diam. to Tc; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 4.90 ± 0.07 | kcal/mol | Review | Manion, 2002 | weighted average of several measurements plus a correction for non-ideality; DRB |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
5.1470 | 248.94 | N/A | Messerly and Aston, 1940 | P = 101.325 kPA; DH |
5.43 | 235. | N/A | Beersmans and Jungers, 2010 | Based on data from 183. to 250. K.; AC |
5.26 | 263. | N/A | Ganeff and Jungers, 2010 | Based on data from 198. to 278. K.; AC |
5.26 | 262. | A | Stephenson and Malanowski, 1987 | Based on data from 247. to 310. K.; AC |
5.21 | 383. | A | Stephenson and Malanowski, 1987 | Based on data from 368. to 416. K.; AC |
5.02 | 323. | A | Stephenson and Malanowski, 1987 | Based on data from 308. to 373. K.; AC |
5.62 | 206. | N/A | Thomson, 1946 | Based on data from 191. to 249. K.; AC |
5.40 | 234. | N/A | Messerly and Aston, 1940 | Based on data from 192. to 249. K.; AC |
4.801 | 293. | C | Yates, 1926 | ALS |
4.80 | 293. | C | Yates, 1926 | AC |
Entropy of vaporization
ΔvapS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
20.68 | 248.94 | Messerly and Aston, 1940 | 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 |
---|---|---|---|---|---|
303. to 416.3 | 4.91287 | 1427.529 | 45.137 | Hsu and McKetta, 1964 | Coefficents calculated by NIST from author's data. |
198. to 278. | 4.21936 | 951.561 | -23.468 | Ganeff and Jungers, 1948 | Coefficents calculated by NIST from author's data. |
183. to 249.4 | 4.14883 | 916.223 | -28.466 | Beersmans and Jungers, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
7.55 ± 0.02 | 151. | Bah and Dupont-Pavlovsky, 1995 | Based on data from 130. to 172. K.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
1.537 | 175.44 | Messerly and Aston, 1940 | DH |
1.53 | 174.5 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
8.762 | 175.44 | Messerly and Aston, 1940 | DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Gas Chromatography, 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
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.
Individual Reactions
By formula: Cl- + CH3Cl = (Cl- • CH3Cl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.4 ± 1.0 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
ΔrH° | 11.7 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
ΔrH° | 12.2 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,M |
ΔrH° | 8.60 ± 0.20 | kcal/mol | TDAs | Dougherty, Dalton, et al., 1974 | gas phase; B,M |
ΔrH° | 15.2 ± 2.0 | kcal/mol | TDAs | Yamdagni and Kebarle, 1971 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.5 | cal/mol*K | N/A | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M |
ΔrS° | 15.3 | cal/mol*K | HPMS | Dougherty, Dalton, et al., 1974 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.80 ± 0.20 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
ΔrG° | 4.84 | kcal/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
ΔrG° | 6.1 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,M |
ΔrG° | 4.10 ± 0.50 | kcal/mol | TDAs | Dougherty, Dalton, et al., 1974 | gas phase; B |
ΔrG° | 10.8 ± 2.0 | kcal/mol | TDAs | Yamdagni and Kebarle, 1971 | gas phase; B |
CH2Cl- + =
By formula: CH2Cl- + H+ = CH3Cl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 399.6 ± 2.5 | kcal/mol | Endo | Hierl, Henchman, et al., 1992 | gas phase; HO- + ClCH3: 8.8±2.3 kcal/mol endo; B |
ΔrH° | 396.0 ± 3.1 | kcal/mol | G+TS | Ingemann and Nibbering, 1985 | gas phase; B |
ΔrH° | 396.6 ± 4.6 | kcal/mol | EIAE | Rogers, Simpson, et al., 2010 | gas phase; B |
ΔrH° | 400.0 ± 2.0 | kcal/mol | IMRB | Poutsma, Nash, et al., 1997 | gas phase; B |
ΔrH° | 399.1 ± 4.1 | kcal/mol | G+TS | Henchman, Hierl, et al., 1985 | gas phase; HO- + MeCl: 0.38±0.1 eV endo; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 389.1 ± 3.0 | kcal/mol | IMRE | Ingemann and Nibbering, 1985 | gas phase; B |
ΔrG° | 392.2 ± 4.0 | kcal/mol | IMRB | Henchman, Hierl, et al., 1985 | gas phase; HO- + MeCl: 0.38±0.1 eV endo; B |
By formula: (CH2Cl+ • CH3Cl) + CH3Cl = (CH2Cl+ • 2CH3Cl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.7 | kcal/mol | HPMS | Luczynski, Malicki, et al., 1974 | gas phase; DG from graph, Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 6.9 | cal/mol*K | HPMS | Luczynski, Malicki, et al., 1974 | gas phase; DG from graph, Entropy change is questionable; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.4 | 182. | HPMS | Luczynski, Malicki, et al., 1974 | gas phase; DG from graph, Entropy change is questionable; M |
By formula: (CH4Cl+ • CH3Cl) + CH3Cl = (CH4Cl+ • 2CH3Cl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.2 | kcal/mol | HPMS | Luczynski, Malicki, et al., 1974 | gas phase; DG from graph, Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 1.1 | cal/mol*K | HPMS | Luczynski, Malicki, et al., 1974 | gas phase; DG from graph, Entropy change is questionable; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.0 | 182. | HPMS | Luczynski, Malicki, et al., 1974 | gas phase; DG from graph, Entropy change is questionable; M |
By formula: CH2Cl+ + CH3Cl = (CH2Cl+ • CH3Cl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.9 | kcal/mol | HPMS | Luczynski, Malicki, et al., 1974 | gas phase; DG from graph, Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | -3.7 | cal/mol*K | HPMS | Luczynski, Malicki, et al., 1974 | gas phase; DG from graph, Entropy change is questionable; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
8.1 | 312. | HPMS | Luczynski, Malicki, et al., 1974 | gas phase; DG from graph, Entropy change is questionable; M |
By formula: C3H7+ + CH3Cl = (C3H7+ • CH3Cl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 22.9 | kcal/mol | PHPMS | Sen Sharma and Kebarle, 1978 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 44.5 | cal/mol*K | PHPMS | Sen Sharma and Kebarle, 1978 | gas phase; Entropy change is questionable; M |
By formula: CH3+ + CH3Cl = (CH3+ • CH3Cl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 62.0 | kcal/mol | PHPMS | McMahon, Heinis, et al., 1988 | gas phase; switching reaction(CH3+)N2, Entropy change calculated or estimated, uses MCA(N2) = 48.3 kcal/mol; Foster, Williamson, et al., 1974; M |
By formula: Br- + CH3Cl = (Br- • CH3Cl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.9 ± 1.0 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.85 ± 0.20 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
By formula: CN- + CH3Cl = (CN- • CH3Cl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.2 ± 1.0 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.90 ± 0.20 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
By formula: CH3Cl2- + 2CH3Cl = C2H6Cl3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.10 | kcal/mol | N/A | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.94 | kcal/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
By formula: C2H6Cl3- + 3CH3Cl = C3H9Cl4-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.40 | kcal/mol | N/A | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.14 | kcal/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
By formula: C3H9Cl4- + 4CH3Cl = C4H12Cl5-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.60 | kcal/mol | N/A | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.34 | kcal/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
By formula: C4H12Cl5- + 5CH3Cl = C5H15Cl6-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.20 | kcal/mol | N/A | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.83 | kcal/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
By formula: C5H15Cl6- + 6CH3Cl = C6H18Cl7-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.80 | kcal/mol | N/A | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.43 | kcal/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
By formula: C6H18Cl7- + 7CH3Cl = C7H21Cl8-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.80 | kcal/mol | N/A | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.63 | kcal/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
By formula: C7H21Cl8- + 8CH3Cl = C8H24Cl9-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.70 | kcal/mol | N/A | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.53 | kcal/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
By formula: C2H5+ + CH3Cl = (C2H5+ • CH3Cl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 30.7 | kcal/mol | PHPMS | Sen Sharma and Kebarle, 1978 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 30.7 | cal/mol*K | PHPMS | Sen Sharma and Kebarle, 1978 | gas phase; M |
By formula: Li+ + CH3Cl = (Li+ • CH3Cl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 25. | kcal/mol | ICR | Staley and Beauchamp, 1975 | gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 interpolated; M |
By formula: C4H9+ + CH3Cl = (C4H9+ • CH3Cl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.4 | kcal/mol | PHPMS | Sharma, Meza de Hojer, et al., 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.3 | cal/mol*K | PHPMS | Sharma, Meza de Hojer, et al., 1985 | gas phase; M |
By formula: CH6N+ + CH3Cl = (CH6N+ • CH3Cl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.7 | kcal/mol | PHPMS | Meot-Ner, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.6 | cal/mol*K | PHPMS | Meot-Ner, 1984 | gas phase; M |
By formula: H2 + CH3Cl = CH4 + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -19.3 ± 0.1 | kcal/mol | Chyd | Lacher, Emery, et al., 1956 | gas phase; ALS |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, Mass spectrum (electron ionization), Gas Chromatography, 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
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 CH3Cl+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 11.26 ± 0.03 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 154.7 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 148.4 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
11.221 | S | Hochmann, Templet, et al., 1975 | LLK |
11.28 ± 0.01 | PI | Werner, Tsai, et al., 1974 | LLK |
11.27 | EI | Lossing, 1972 | LLK |
11.29 | PE | Ragle, Stenhouse, et al., 1970 | RDSH |
11.26 | PE | Dewar and Worley, 1969 | RDSH |
11.265 ± 0.003 | PI | Nicholson, 1965 | RDSH |
11.28 | PI | Dibeler and Walker, 1965 | RDSH |
11.28 ± 0.01 | PI | Watanabe, 1957 | RDSH |
11.22 ± 0.01 | S | Price, 1936 | RDSH |
11.29 | PE | Kimura, Katsumata, et al., 1981 | Vertical value; LLK |
11.29 | PE | Utsunomiya, Kobayashi, et al., 1980 | Vertical value; LLK |
11.33 | PE | Uehara, Saito, et al., 1973 | Vertical value; LLK |
11.30 | PE | Dixon, Murrell, et al., 1971 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C+ | 26.3 ± 0.1 | ? | EI | Reed and Snedden, 1956 | RDSH |
CH+ | 22.5 ± 0.06 | ? | EI | Reed and Snedden, 1956 | RDSH |
CH2+ | 14.6 ± 0.2 | HCl | EI | Tsuda and Hamill, 1964 | RDSH |
CH2Cl+ | 12.96 | H | EI | Lossing, 1972 | LLK |
CH2Cl+ | 12.98 ± 0.07 | H | EI | Martin, Lampe, et al., 1966 | RDSH |
CH3+ | 13.87 | Cl | PI | Krauss, Walker, et al., 1968 | RDSH |
CH3+ | 10.07 | Cl- | PI | Dibeler and Walker, 1965 | RDSH |
Cl+ | 16.6 ± 0.05 | CH3 | EI | Tsuda, Melton, et al., 1964 | RDSH |
De-protonation reactions
CH2Cl- + =
By formula: CH2Cl- + H+ = CH3Cl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 399.6 ± 2.5 | kcal/mol | Endo | Hierl, Henchman, et al., 1992 | gas phase; HO- + ClCH3: 8.8±2.3 kcal/mol endo; B |
ΔrH° | 396.0 ± 3.1 | kcal/mol | G+TS | Ingemann and Nibbering, 1985 | gas phase; B |
ΔrH° | 396.6 ± 4.6 | kcal/mol | EIAE | Rogers, Simpson, et al., 2010 | gas phase; B |
ΔrH° | 400.0 ± 2.0 | kcal/mol | IMRB | Poutsma, Nash, et al., 1997 | gas phase; B |
ΔrH° | 399.1 ± 4.1 | kcal/mol | G+TS | Henchman, Hierl, et al., 1985 | gas phase; HO- + MeCl: 0.38±0.1 eV endo; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 389.1 ± 3.0 | kcal/mol | IMRE | Ingemann and Nibbering, 1985 | gas phase; B |
ΔrG° | 392.2 ± 4.0 | kcal/mol | IMRB | Henchman, Hierl, et al., 1985 | gas phase; HO- + MeCl: 0.38±0.1 eV endo; B |
Ion clustering data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
By formula: Br- + CH3Cl = (Br- • CH3Cl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.9 ± 1.0 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.85 ± 0.20 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
By formula: CH2Cl+ + CH3Cl = (CH2Cl+ • CH3Cl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.9 | kcal/mol | HPMS | Luczynski, Malicki, et al., 1974 | gas phase; DG from graph, Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | -3.7 | cal/mol*K | HPMS | Luczynski, Malicki, et al., 1974 | gas phase; DG from graph, Entropy change is questionable; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
8.1 | 312. | HPMS | Luczynski, Malicki, et al., 1974 | gas phase; DG from graph, Entropy change is questionable; M |
By formula: (CH2Cl+ • CH3Cl) + CH3Cl = (CH2Cl+ • 2CH3Cl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.7 | kcal/mol | HPMS | Luczynski, Malicki, et al., 1974 | gas phase; DG from graph, Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 6.9 | cal/mol*K | HPMS | Luczynski, Malicki, et al., 1974 | gas phase; DG from graph, Entropy change is questionable; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.4 | 182. | HPMS | Luczynski, Malicki, et al., 1974 | gas phase; DG from graph, Entropy change is questionable; M |
By formula: CH3+ + CH3Cl = (CH3+ • CH3Cl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 62.0 | kcal/mol | PHPMS | McMahon, Heinis, et al., 1988 | gas phase; switching reaction(CH3+)N2, Entropy change calculated or estimated, uses MCA(N2) = 48.3 kcal/mol; Foster, Williamson, et al., 1974; M |
By formula: CH3Cl2- + 2CH3Cl = C2H6Cl3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.10 | kcal/mol | N/A | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.94 | kcal/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
By formula: (CH4Cl+ • CH3Cl) + CH3Cl = (CH4Cl+ • 2CH3Cl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.2 | kcal/mol | HPMS | Luczynski, Malicki, et al., 1974 | gas phase; DG from graph, Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 1.1 | cal/mol*K | HPMS | Luczynski, Malicki, et al., 1974 | gas phase; DG from graph, Entropy change is questionable; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.0 | 182. | HPMS | Luczynski, Malicki, et al., 1974 | gas phase; DG from graph, Entropy change is questionable; M |
By formula: CH6N+ + CH3Cl = (CH6N+ • CH3Cl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.7 | kcal/mol | PHPMS | Meot-Ner, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.6 | cal/mol*K | PHPMS | Meot-Ner, 1984 | gas phase; M |
By formula: CN- + CH3Cl = (CN- • CH3Cl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.2 ± 1.0 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.90 ± 0.20 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
By formula: C2H5+ + CH3Cl = (C2H5+ • CH3Cl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 30.7 | kcal/mol | PHPMS | Sen Sharma and Kebarle, 1978 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 30.7 | cal/mol*K | PHPMS | Sen Sharma and Kebarle, 1978 | gas phase; M |
By formula: C2H6Cl3- + 3CH3Cl = C3H9Cl4-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.40 | kcal/mol | N/A | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.14 | kcal/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
By formula: C3H7+ + CH3Cl = (C3H7+ • CH3Cl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 22.9 | kcal/mol | PHPMS | Sen Sharma and Kebarle, 1978 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 44.5 | cal/mol*K | PHPMS | Sen Sharma and Kebarle, 1978 | gas phase; Entropy change is questionable; M |
By formula: C3H9Cl4- + 4CH3Cl = C4H12Cl5-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.60 | kcal/mol | N/A | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.34 | kcal/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
By formula: C4H9+ + CH3Cl = (C4H9+ • CH3Cl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.4 | kcal/mol | PHPMS | Sharma, Meza de Hojer, et al., 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.3 | cal/mol*K | PHPMS | Sharma, Meza de Hojer, et al., 1985 | gas phase; M |
By formula: C4H12Cl5- + 5CH3Cl = C5H15Cl6-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.20 | kcal/mol | N/A | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.83 | kcal/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
By formula: C5H15Cl6- + 6CH3Cl = C6H18Cl7-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.80 | kcal/mol | N/A | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.43 | kcal/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
By formula: C6H18Cl7- + 7CH3Cl = C7H21Cl8-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.80 | kcal/mol | N/A | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.63 | kcal/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
By formula: C7H21Cl8- + 8CH3Cl = C8H24Cl9-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.70 | kcal/mol | N/A | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.53 | kcal/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
By formula: Cl- + CH3Cl = (Cl- • CH3Cl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.4 ± 1.0 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
ΔrH° | 11.7 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
ΔrH° | 12.2 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,M |
ΔrH° | 8.60 ± 0.20 | kcal/mol | TDAs | Dougherty, Dalton, et al., 1974 | gas phase; B,M |
ΔrH° | 15.2 ± 2.0 | kcal/mol | TDAs | Yamdagni and Kebarle, 1971 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.5 | cal/mol*K | N/A | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M |
ΔrS° | 15.3 | cal/mol*K | HPMS | Dougherty, Dalton, et al., 1974 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.80 ± 0.20 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
ΔrG° | 4.84 | kcal/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
ΔrG° | 6.1 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,M |
ΔrG° | 4.10 ± 0.50 | kcal/mol | TDAs | Dougherty, Dalton, et al., 1974 | gas phase; B |
ΔrG° | 10.8 ± 2.0 | kcal/mol | TDAs | Yamdagni and Kebarle, 1971 | gas phase; B |
By formula: Li+ + CH3Cl = (Li+ • CH3Cl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 25. | kcal/mol | ICR | Staley and Beauchamp, 1975 | gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 interpolated; M |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Gas Chromatography, 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. |
---|---|
NIST MS number | 18894 |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | Squalane | 80. | 329. | Pacáková, Vojtechová, et al., 1988 | N2, Chezasorb AW-HMDS; Column length: 1.2 m |
Packed | Squalane | 27. | 324. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 49. | 326. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 67. | 327. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 86. | 329. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Petrocol DH | 332.92 | White, Douglas, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Capillary | Petrocol DH | 332.92 | White, Douglas, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-101 | 332. | Zenkevich, 2005 | 25. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polydimethyl siloxanes | 332. | Zenkevich, Eliseenkov, et al., 2006 | Program: not specified |
Capillary | Methyl Silicone | 340. | Blunden, Aneja, et al., 2005 | 60. m/0.32 mm/1.0 μm, Helium; Program: -50 0C (2 min) 8 0C/min -> 200 0C (7.75 min) 25 0C -> 225 0C (8 min) |
Capillary | Methyl Silicone | 332. | Zenkevich, 1999 | Program: not specified |
Capillary | Methyl Silicone | 326. | Zenkevich, 1998 | Program: not specified |
Capillary | Polydimethyl siloxanes | 332. | Zenkevich and Chupalov, 1996 | Program: not specified |
Capillary | Polydimethyl siloxanes | 332. | Zenkevich and Chupalov, 1996 | Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Gas Chromatography, 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:
AE Appearance energy Cp,liquid Constant pressure heat capacity of liquid IE (evaluated) Recommended ionization energy Pc Critical pressure Ptriple Triple point pressure S°gas,1 bar Entropy of gas at standard conditions (1 bar) S°liquid Entropy of liquid at standard conditions T Temperature Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature ΔcH°gas Enthalpy of combustion of gas at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion 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 ΔvapH° Enthalpy of vaporization at standard conditions ΔvapS Entropy of vaporization ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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