Chloromethane

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Gas phase thermochemistry data

Go To: Top, 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:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas-83.68kJ/molReviewChase, 1998Data last reviewed in June, 1972
Δfgas-81.9 ± 1.5kJ/molReviewManion, 2002adopted flame calorimetry data of Fletcher and Pilcher, 1971 with increased uncertainty to reflect other data; DRB
Δfgas-81.96 ± 0.67kJ/molCcbFletcher and Pilcher, 1971, 2ALS
Δfgas-85.90 ± 0.59kJ/molChydLacher, Emery, et al., 1956Reanalyzed by Cox and Pilcher, 1970, Original value = -86.33 ± 0.59 kJ/mol; ALS
Quantity Value Units Method Reference Comment
Δcgas-764.0 ± 0.50kJ/molCcbFletcher and Pilcher, 1971, 2ALS
Quantity Value Units Method Reference Comment
gas,1 bar234.36J/mol*KReviewChase, 1998Data 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 (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 1200.1200. to 6000.
A 3.52469088.66691
B 136.927710.06834
C -82.14196-1.928737
D 20.227970.128191
E 0.278032-19.76840
F -89.19995-152.5311
G 202.8391286.4015
H -83.68000-83.68000
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1972 Data last reviewed in June, 1972

Phase change data

Go To: Top, Gas phase thermochemistry 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:
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
Tboil247. ± 10.KAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus182.KN/AAwbery, 1941Uncertainty assigned by TRC = 1.5 K; TRC
Tfus175.55KN/ATimmermans, 1921Uncertainty assigned by TRC = 0.4 K; TRC
Tfus176.5KN/ATimmermans, 1911Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Ttriple175.43KN/AMesserly and Aston, 1940Uncertainty 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
Ttriple175.44KN/AMesserly and Aston, 1940Uncertainty 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
Ptriple0.008700barN/AMesserly and Aston, 1940Uncertainty assigned by TRC = 0.000013 bar; TRC
Quantity Value Units Method Reference Comment
Tc416. ± 1.KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Pc67.144barN/AMansoorian, Hall, et al., 1981Uncertainty assigned by TRC = 0.0067 bar; VP measured up to 408 K,; TRC
Pc66.7924barN/AHsu and McKetta, 1964Uncertainty assigned by TRC = 0.0405 bar; TRC
Pc66.80barN/ALeduc, 1909Uncertainty assigned by TRC = 2.0265 bar; TRC
Pc74.00barN/AVincent and Chappuis, 1886Uncertainty assigned by TRC = 3.0398 bar; TRC
Quantity Value Units Method Reference Comment
ρc7.1895mol/lN/AHsu and McKetta, 1964Uncertainty assigned by TRC = 0.006 mol/l; TRC
ρc7.33mol/lN/ACentnerszwer, 1904Uncertainty assigned by TRC = 0.1 mol/l; extrapolation of rectilnear diam. to Tc; TRC
Quantity Value Units Method Reference Comment
Δvap20.5 ± 0.3kJ/molReviewManion, 2002weighted average of several measurements plus a correction for non-ideality; DRB

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
21.535248.94N/AMesserly and Aston, 1940, 2P = 101.325 kPA; DH
22.7235.N/ABeersmans and Jungers, 2010Based on data from 183. to 250. K.; AC
22.0263.N/AGaneff and Jungers, 2010Based on data from 198. to 278. K.; AC
22.0262.AStephenson and Malanowski, 1987Based on data from 247. to 310. K.; AC
21.8383.AStephenson and Malanowski, 1987Based on data from 368. to 416. K.; AC
21.0323.AStephenson and Malanowski, 1987Based on data from 308. to 373. K.; AC
23.5206.N/AThomson, 1946Based on data from 191. to 249. K.; AC
22.6234.N/AMesserly and Aston, 1940, 2Based on data from 192. to 249. K.; AC
20.09293.CYates, 1926ALS
20.1293.CYates, 1926AC

Entropy of vaporization

ΔvapS (J/mol*K) Temperature (K) Reference Comment
86.51248.94Messerly and Aston, 1940, 2P; DH

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
303. to 416.34.918581427.52945.137Hsu and McKetta, 1964Coefficents calculated by NIST from author's data.
198. to 278.4.22507951.561-23.468Ganeff and Jungers, 1948Coefficents calculated by NIST from author's data.
183. to 249.44.15454916.223-28.466Beersmans and Jungers, 1947Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Reference Comment
31.6 ± 0.1151.Bah and Dupont-Pavlovsky, 1995Based on data from 130. to 172. K.; AC

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
6.431175.44Messerly and Aston, 1940, 2DH
6.42174.5Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
36.66175.44Messerly and Aston, 1940, 2DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change 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
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

Chlorine anion + Chloromethane = (Chlorine anion • Chloromethane)

By formula: Cl- + CH3Cl = (Cl- • CH3Cl)

Quantity Value Units Method Reference Comment
Δr43.5 ± 4.2kJ/molTDAsLi, Ross, et al., 1996gas phase; B
Δr49.0 ± 8.4kJ/molTDAsHiraoka, Mizuno, et al., 2001gas phase; B
Δr51.0 ± 8.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M
Δr36.0 ± 0.84kJ/molTDAsDougherty, Dalton, et al., 1974gas phase; B,M
Δr63.6 ± 8.4kJ/molTDAsYamdagni and Kebarle, 1971gas phase; B
Quantity Value Units Method Reference Comment
Δr85.8J/mol*KN/ALarson and McMahon, 1984, 2gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
Δr64.0J/mol*KHPMSDougherty, Dalton, et al., 1974gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr24.3 ± 0.84kJ/molTDAsLi, Ross, et al., 1996gas phase; B
Δr20.3kJ/molTDAsHiraoka, Mizuno, et al., 2001gas phase; B
Δr26. ± 8.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M
Δr17.2 ± 2.1kJ/molTDAsDougherty, Dalton, et al., 1974gas phase; B
Δr45.2 ± 8.4kJ/molTDAsYamdagni and Kebarle, 1971gas phase; B

CH2Cl- + Hydrogen cation = Chloromethane

By formula: CH2Cl- + H+ = CH3Cl

Quantity Value Units Method Reference Comment
Δr1672. ± 10.kJ/molEndoHierl, Henchman, et al., 1992gas phase; HO- + ClCH3: 8.8±2.3 kcal/mol endo; B
Δr1657. ± 13.kJ/molG+TSIngemann and Nibbering, 1985gas phase; B
Δr1659. ± 19.kJ/molEIAERogers, Simpson, et al., 2010gas phase; B
Δr1674. ± 8.4kJ/molIMRBPoutsma, Nash, et al., 1997gas phase; B
Δr1670. ± 17.kJ/molG+TSHenchman, Hierl, et al., 1985gas phase; HO- + MeCl: 0.38±0.1 eV endo; B
Quantity Value Units Method Reference Comment
Δr1628. ± 13.kJ/molIMREIngemann and Nibbering, 1985gas phase; B
Δr1641. ± 17.kJ/molIMRBHenchman, Hierl, et al., 1985gas phase; HO- + MeCl: 0.38±0.1 eV endo; B

(CH2Cl+ • Chloromethane) + Chloromethane = (CH2Cl+ • 2Chloromethane)

By formula: (CH2Cl+ • CH3Cl) + CH3Cl = (CH2Cl+ • 2CH3Cl)

Quantity Value Units Method Reference Comment
Δr24.kJ/molHPMSLuczynski, Malicki, et al., 1974gas phase; DG from graph, Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr29.J/mol*KHPMSLuczynski, Malicki, et al., 1974gas phase; DG from graph, Entropy change is questionable; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
18.182.HPMSLuczynski, Malicki, et al., 1974gas phase; DG from graph, Entropy change is questionable; M

(CH4Cl+ • Chloromethane) + Chloromethane = (CH4Cl+ • 2Chloromethane)

By formula: (CH4Cl+ • CH3Cl) + CH3Cl = (CH4Cl+ • 2CH3Cl)

Quantity Value Units Method Reference Comment
Δr18.kJ/molHPMSLuczynski, Malicki, et al., 1974gas phase; DG from graph, Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr4.6J/mol*KHPMSLuczynski, Malicki, et al., 1974gas phase; DG from graph, Entropy change is questionable; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
17.182.HPMSLuczynski, Malicki, et al., 1974gas phase; DG from graph, Entropy change is questionable; M

CH2Cl+ + Chloromethane = (CH2Cl+ • Chloromethane)

By formula: CH2Cl+ + CH3Cl = (CH2Cl+ • CH3Cl)

Quantity Value Units Method Reference Comment
Δr29.kJ/molHPMSLuczynski, Malicki, et al., 1974gas phase; DG from graph, Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr-15.J/mol*KHPMSLuczynski, Malicki, et al., 1974gas phase; DG from graph, Entropy change is questionable; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
34.312.HPMSLuczynski, Malicki, et al., 1974gas phase; DG from graph, Entropy change is questionable; M

C3H7+ + Chloromethane = (C3H7+ • Chloromethane)

By formula: C3H7+ + CH3Cl = (C3H7+ • CH3Cl)

Quantity Value Units Method Reference Comment
Δr95.8kJ/molPHPMSSen Sharma and Kebarle, 1978gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr186.J/mol*KPHPMSSen Sharma and Kebarle, 1978gas phase; Entropy change is questionable; M

Methyl cation + Chloromethane = (Methyl cation • Chloromethane)

By formula: CH3+ + CH3Cl = (CH3+ • CH3Cl)

Quantity Value Units Method Reference Comment
Δr259.kJ/molPHPMSMcMahon, Heinis, et al., 1988gas phase; switching reaction(CH3+)N2, Entropy change calculated or estimated, uses MCA(N2) = 202. kJ/mol; Foster, Williamson, et al., 1974; M

Bromine anion + Chloromethane = (Bromine anion • Chloromethane)

By formula: Br- + CH3Cl = (Br- • CH3Cl)

Quantity Value Units Method Reference Comment
Δr45.6 ± 4.2kJ/molTDAsLi, Ross, et al., 1996gas phase; B
Quantity Value Units Method Reference Comment
Δr20.3 ± 0.84kJ/molTDAsLi, Ross, et al., 1996gas phase; B

CN- + Chloromethane = (CN- • Chloromethane)

By formula: CN- + CH3Cl = (CN- • CH3Cl)

Quantity Value Units Method Reference Comment
Δr42.7 ± 4.2kJ/molTDAsLi, Ross, et al., 1996gas phase; B
Quantity Value Units Method Reference Comment
Δr20.5 ± 0.84kJ/molTDAsLi, Ross, et al., 1996gas phase; B

CH3Cl2- + 2Chloromethane = C2H6Cl3-

By formula: CH3Cl2- + 2CH3Cl = C2H6Cl3-

Quantity Value Units Method Reference Comment
Δr46.44kJ/molN/AHiraoka, Mizuno, et al., 2001gas phase; B
Quantity Value Units Method Reference Comment
Δr16.5kJ/molTDAsHiraoka, Mizuno, et al., 2001gas phase; B

C2H6Cl3- + 3Chloromethane = C3H9Cl4-

By formula: C2H6Cl3- + 3CH3Cl = C3H9Cl4-

Quantity Value Units Method Reference Comment
Δr35.1kJ/molN/AHiraoka, Mizuno, et al., 2001gas phase; B
Quantity Value Units Method Reference Comment
Δr8.95kJ/molTDAsHiraoka, Mizuno, et al., 2001gas phase; B

C3H9Cl4- + 4Chloromethane = C4H12Cl5-

By formula: C3H9Cl4- + 4CH3Cl = C4H12Cl5-

Quantity Value Units Method Reference Comment
Δr31.8kJ/molN/AHiraoka, Mizuno, et al., 2001gas phase; B
Quantity Value Units Method Reference Comment
Δr5.61kJ/molTDAsHiraoka, Mizuno, et al., 2001gas phase; B

C4H12Cl5- + 5Chloromethane = C5H15Cl6-

By formula: C4H12Cl5- + 5CH3Cl = C5H15Cl6-

Quantity Value Units Method Reference Comment
Δr25.9kJ/molN/AHiraoka, Mizuno, et al., 2001gas phase; B
Quantity Value Units Method Reference Comment
Δr3.5kJ/molTDAsHiraoka, Mizuno, et al., 2001gas phase; B

C5H15Cl6- + 6Chloromethane = C6H18Cl7-

By formula: C5H15Cl6- + 6CH3Cl = C6H18Cl7-

Quantity Value Units Method Reference Comment
Δr24.3kJ/molN/AHiraoka, Mizuno, et al., 2001gas phase; B
Quantity Value Units Method Reference Comment
Δr1.8kJ/molTDAsHiraoka, Mizuno, et al., 2001gas phase; B

C6H18Cl7- + 7Chloromethane = C7H21Cl8-

By formula: C6H18Cl7- + 7CH3Cl = C7H21Cl8-

Quantity Value Units Method Reference Comment
Δr20.1kJ/molN/AHiraoka, Mizuno, et al., 2001gas phase; B
Quantity Value Units Method Reference Comment
Δr2.6kJ/molTDAsHiraoka, Mizuno, et al., 2001gas phase; B

C7H21Cl8- + 8Chloromethane = C8H24Cl9-

By formula: C7H21Cl8- + 8CH3Cl = C8H24Cl9-

Quantity Value Units Method Reference Comment
Δr19.7kJ/molN/AHiraoka, Mizuno, et al., 2001gas phase; B
Quantity Value Units Method Reference Comment
Δr2.2kJ/molTDAsHiraoka, Mizuno, et al., 2001gas phase; B

C2H5+ + Chloromethane = (C2H5+ • Chloromethane)

By formula: C2H5+ + CH3Cl = (C2H5+ • CH3Cl)

Quantity Value Units Method Reference Comment
Δr128.kJ/molPHPMSSen Sharma and Kebarle, 1978gas phase; M
Quantity Value Units Method Reference Comment
Δr128.J/mol*KPHPMSSen Sharma and Kebarle, 1978gas phase; M

Lithium ion (1+) + Chloromethane = (Lithium ion (1+) • Chloromethane)

By formula: Li+ + CH3Cl = (Li+ • CH3Cl)

Quantity Value Units Method Reference Comment
Δr100.kJ/molICRStaley and Beauchamp, 1975gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 interpolated; M

C4H9+ + Chloromethane = (C4H9+ • Chloromethane)

By formula: C4H9+ + CH3Cl = (C4H9+ • CH3Cl)

Quantity Value Units Method Reference Comment
Δr35.kJ/molPHPMSSharma, Meza de Hojer, et al., 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr80.8J/mol*KPHPMSSharma, Meza de Hojer, et al., 1985gas phase; M

CH6N+ + Chloromethane = (CH6N+ • Chloromethane)

By formula: CH6N+ + CH3Cl = (CH6N+ • CH3Cl)

Quantity Value Units Method Reference Comment
Δr44.8kJ/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr86.2J/mol*KPHPMSMeot-Ner, 1984gas phase; M

Hydrogen + Chloromethane = Methane + Hydrogen chloride

By formula: H2 + CH3Cl = CH4 + HCl

Quantity Value Units Method Reference Comment
Δr-80.8 ± 0.4kJ/molChydLacher, Emery, et al., 1956gas phase; ALS

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry 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 ± 0.03eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)647.3kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity621.1kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
11.221SHochmann, Templet, et al., 1975LLK
11.28 ± 0.01PIWerner, Tsai, et al., 1974LLK
11.27EILossing, 1972LLK
11.29PERagle, Stenhouse, et al., 1970RDSH
11.26PEDewar and Worley, 1969RDSH
11.265 ± 0.003PINicholson, 1965RDSH
11.28PIDibeler and Walker, 1965RDSH
11.28 ± 0.01PIWatanabe, 1957RDSH
11.22 ± 0.01SPrice, 1936RDSH
11.29PEKimura, Katsumata, et al., 1981Vertical value; LLK
11.29PEUtsunomiya, Kobayashi, et al., 1980Vertical value; LLK
11.33PEUehara, Saito, et al., 1973Vertical value; LLK
11.30PEDixon, Murrell, et al., 1971Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C+26.3 ± 0.1?EIReed and Snedden, 1956RDSH
CH+22.5 ± 0.06?EIReed and Snedden, 1956RDSH
CH2+14.6 ± 0.2HClEITsuda and Hamill, 1964RDSH
CH2Cl+12.96HEILossing, 1972LLK
CH2Cl+12.98 ± 0.07HEIMartin, Lampe, et al., 1966RDSH
CH3+13.87ClPIKrauss, Walker, et al., 1968RDSH
CH3+10.07Cl-PIDibeler and Walker, 1965RDSH
Cl+16.6 ± 0.05CH3EITsuda, Melton, et al., 1964RDSH

De-protonation reactions

CH2Cl- + Hydrogen cation = Chloromethane

By formula: CH2Cl- + H+ = CH3Cl

Quantity Value Units Method Reference Comment
Δr1672. ± 10.kJ/molEndoHierl, Henchman, et al., 1992gas phase; HO- + ClCH3: 8.8±2.3 kcal/mol endo; B
Δr1657. ± 13.kJ/molG+TSIngemann and Nibbering, 1985gas phase; B
Δr1659. ± 19.kJ/molEIAERogers, Simpson, et al., 2010gas phase; B
Δr1674. ± 8.4kJ/molIMRBPoutsma, Nash, et al., 1997gas phase; B
Δr1670. ± 17.kJ/molG+TSHenchman, Hierl, et al., 1985gas phase; HO- + MeCl: 0.38±0.1 eV endo; B
Quantity Value Units Method Reference Comment
Δr1628. ± 13.kJ/molIMREIngemann and Nibbering, 1985gas phase; B
Δr1641. ± 17.kJ/molIMRBHenchman, Hierl, et al., 1985gas phase; HO- + MeCl: 0.38±0.1 eV endo; B

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics 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

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NIST MS number 18894

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Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics 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

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Column type Active phase Temperature (C) I Reference Comment
PackedSqualane80.329.Pacáková, Vojtechová, et al., 1988N2, Chezasorb AW-HMDS; Column length: 1.2 m
PackedSqualane27.324.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane49.326.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane67.327.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane86.329.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryPetrocol DH332.92White, Douglas, et al., 1992100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryPetrocol DH332.92White, Douglas, et al., 1992100. 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

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Column type Active phase I Reference Comment
CapillaryOV-101332.Zenkevich, 200525. 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

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Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxanes332.Zenkevich, Eliseenkov, et al., 2006Program: not specified
CapillaryMethyl Silicone340.Blunden, Aneja, et al., 200560. 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)
CapillaryMethyl Silicone332.Zenkevich, 1999Program: not specified
CapillaryMethyl Silicone326.Zenkevich, 1998Program: not specified
CapillaryPolydimethyl siloxanes332.Zenkevich and Chupalov, 1996Program: not specified
CapillaryPolydimethyl siloxanes332.Zenkevich and Chupalov, 1996Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics 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.

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Manion, 2002
Manion, J.A., Evaluated Enthalpies of Formation of the Stable Closed Shell C1 and C2 Chlorinated Hydrocarbons, J. Phys. Chem. Ref. Data, 2002, 31, 1, 123-172, https://doi.org/10.1063/1.1420703 . [all data]

Fletcher and Pilcher, 1971
Fletcher, R.A.; Pilcher, G., Measurements of heats of combustion by flame calorimetry. Part 7.?Chloromethane, chloroethane, 1-chloropropane, 2-chloropropane, Trans. Faraday Soc., 1971, 67, 3191, https://doi.org/10.1039/tf9716703191 . [all data]

Fletcher and Pilcher, 1971, 2
Fletcher, R.A.; Pilcher, G., Measurements of heats of combustion by flame calorimetry. Part 7.-Chloromethane, chloroethane, 1-chloropropane, 2-chloropropane, Trans. Faraday Soc., 1971, 67, 3191-3201. [all data]

Lacher, Emery, et al., 1956
Lacher, J.R.; Emery, E.; Bohmfalk, E.; Park, J.D., Reaction heats of organic compounds. IV. A high temperature calorimeter and the hydrogenation of methyl ethyl and vinyl chlorides, J. Phys. Chem., 1956, 60, 492-495. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Awbery, 1941
Awbery, J.H., Philos. Mag., 1941, 31, 247. [all data]

Timmermans, 1921
Timmermans, J., The Freezing Points of Organic Substances IV. New Exp. Determinations, Bull. Soc. Chim. Belg., 1921, 30, 62. [all data]

Timmermans, 1911
Timmermans, J., Researches on the freezing point of organic liquid compounds, Bull. Soc. Chim. Belg., 1911, 25, 300. [all data]

Messerly and Aston, 1940
Messerly, G.H.; Aston, J.G., The Heat Capacity and Entropy, Heats of Fusion and Vaporization and the Vapor Pressure of Methyl Chloride, J. Am. Chem. Soc., 1940, 62, 886-90. [all data]

Mansoorian, Hall, et al., 1981
Mansoorian, H.; Hall, K.R.; Holste, J.C.; Eubank, P.T., The density of gaseous ethane and of fluid methyl chloride and the vapor pressure of methyl chloride, J. Chem. Thermodyn., 1981, 13, 1001-24. [all data]

Hsu and McKetta, 1964
Hsu, C.C.; McKetta, J.J., Pressure-Volume-Temperature Properties of Methyl Chloride, J. Chem. Eng. Data, 1964, 9, 1, 45-51, https://doi.org/10.1021/je60020a014 . [all data]

Leduc, 1909
Leduc, A., Compressibility of gases between 0 atm and 3 atm and at all temperatures, C. R. Hebd. Seances Acad. Sci., 1909, 148, 407. [all data]

Vincent and Chappuis, 1886
Vincent, C.; Chappuis, J., J. Phys. Theor. Appl., 1886, 5, 58. [all data]

Centnerszwer, 1904
Centnerszwer, M., An Application of the Method of Cailletet and Mathias to Determine Critical Volume., Z. Phys. Chem., Stoechiom. Verwandtschaftsl., 1904, 49, 199. [all data]

Messerly and Aston, 1940, 2
Messerly, G.H.; Aston, J.G., The heat capacity and entropy, heats of fusion and vaporization and the vapor pressure of methyl chloride, J. Am. Chem. Soc., 1940, 62, 886-890. [all data]

Beersmans and Jungers, 2010
Beersmans, J.; Jungers, J.C., Synthèse et Étude des Chlorure, Bromure et Iodure de Deutérométhyle, Bull. Soc. Chim. Belges, 2010, 56, 5-8, 238-250, https://doi.org/10.1002/bscb.19470560506 . [all data]

Ganeff and Jungers, 2010
Ganeff, Jean M.; Jungers, Joseph C., Tensions de vapeur du système CH3Cl «63743» CH2Cl2, Bull. Soc. Chim. Belges, 2010, 57, 1-3, 82-87, https://doi.org/10.1002/bscb.19480570109 . [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Thomson, 1946
Thomson, George Wm., The Antoine Equation for Vapor-pressure Data., Chem. Rev., 1946, 38, 1, 1-39, https://doi.org/10.1021/cr60119a001 . [all data]

Yates, 1926
Yates, G.W.C., LXXIV. Latent heats of vaporization of ethyl and methyl chlorides, Philos. Mag., 1926, 2, 817-826. [all data]

Ganeff and Jungers, 1948
Ganeff, J.M.; Jungers, J.C., Tensions de Vapeur du Systeme CH3Cl - CH2Cl2, Bull. Soc. Chim. Belg., 1948, 57, 1-3, 82-87, https://doi.org/10.1002/bscb.19480570109 . [all data]

Beersmans and Jungers, 1947
Beersmans, J.; Jungers, J.C., Synthese et Etude des Chlorure, Bromure et Iodure de Deuteromethyle, Bull. Soc. Chim. Belg., 1947, 56, 5-8, 238-250, https://doi.org/10.1002/bscb.19470560506 . [all data]

Bah and Dupont-Pavlovsky, 1995
Bah, A.; Dupont-Pavlovsky, N., Vapor Pressure of Solid Chloromethane, J. Chem. Eng. Data, 1995, 40, 4, 869-870, https://doi.org/10.1021/je00020a028 . [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

Li, Ross, et al., 1996
Li, C.; Ross, P.; Szulejko, J.; McMahon, T.B., High-Pressure Mass Spectrometric Investigations of the Potential Energy Surfaces of Gas-Phase Sn2 Reactions., J. Am. Chem. Soc., 1996, 118, 39, 9360, https://doi.org/10.1021/ja960565o . [all data]

Hiraoka, Mizuno, et al., 2001
Hiraoka, K.; Mizuno, T.; Iino, T.; Eguchi, D.; Yamabe, S., Characteristic changes of bond energies for gas-phase cluster ions of halide ions with methane and chloromethanes, J. Phys. Chem. A, 2001, 105, 20, 4887-4893, https://doi.org/10.1021/jp010143n . [all data]

Larson and McMahon, 1984
Larson, J.W.; McMahon, T.B., Hydrogen bonding in gas phase anions. An experimental investigation of the interaction between chloride ion and bronsted acids from ICR chloride exchange equilibria, J. Am. Chem. Soc., 1984, 106, 517. [all data]

Dougherty, Dalton, et al., 1974
Dougherty, R.C.; Dalton, J.; Roberts, J.D., SN2 reactions in the gas phase: Structure of the transition state, Org. Mass Spectrom., 1974, 8, 77. [all data]

Yamdagni and Kebarle, 1971
Yamdagni, R.; Kebarle, P., Hydrogen bonding energies to negative ions from gas phase measurements of ionic equilibria, J. Am. Chem. Soc., 1971, 93, 7139. [all data]

Larson and McMahon, 1984, 2
Larson, J.W.; McMahon, T.B., Gas phase negative ion chemistry of alkylchloroformates, Can. J. Chem., 1984, 62, 675. [all data]

French, Ikuta, et al., 1982
French, M.A.; Ikuta, S.; Kebarle, P., Hydrogen bonding of O-H and C-H hydrogen donors to Cl-. Results from mass spectrometric measurement of the ion-molecule equilibria RH + Cl- = RHCl-, Can. J. Chem., 1982, 60, 1907. [all data]

Hierl, Henchman, et al., 1992
Hierl, P.M.; Henchman, M.J.; Paulson, J.F., Threshold Energies for the Reactions HO- + MeX - MeOH + X- measured by Tandem Mass Spectrometry: Acidities of MeCl and MeBr, Int. J. Mass Spectrom. Ion Proc., 1992, 117, 475, https://doi.org/10.1016/0168-1176(92)80109-E . [all data]

Ingemann and Nibbering, 1985
Ingemann, S.; Nibbering, N.M.M., Gas-phase acidity of CH3X [X = P(CH3)2, SCH3, F, Cl, Br, I] compounds, J. Chem. Soc. Perkin Trans. 2, 1985, 837. [all data]

Rogers, Simpson, et al., 2010
Rogers, N.J.; Simpson, M.J.; Tuckett, R.P.; Dunn, K.F.; Latimer, C.J., Vacuum-UV negative photoion spectroscopy of CH3F, CH3Cl and CH3Br, Phys. Chem. Chem. Phys., 2010, 12, 36, 10971-10980, https://doi.org/10.1039/c0cp00234h . [all data]

Poutsma, Nash, et al., 1997
Poutsma, J.C.; Nash, J.J.; Paulino, J.A.; Squires, R.R., Absolute Heats of Formation of Phenylcarbene and Vinylcarbene, J. Am. Chem. Soc., 1997, 119, 20, 4686, https://doi.org/10.1021/ja963918s . [all data]

Henchman, Hierl, et al., 1985
Henchman, M.; Hierl, P.M.; Paulson, J.F., Nucleophilic displacement vs. proton tranfer: The system OH-.(H2O)0,1,2 + CH3Cl in the relative energy range 0.03-5 eV, J. Am. Chem. Soc., 1985, 107, 2812. [all data]

Luczynski, Malicki, et al., 1974
Luczynski, Z.; Malicki, W.; Wincel, H., Positive Ion Reactions of Methyl Cloride in the Gas Phase, Int. J. Mass Spectrom. Ion Phys., 1974, 15, 3, 321, https://doi.org/10.1016/0020-7381(74)85009-6 . [all data]

Sen Sharma and Kebarle, 1978
Sen Sharma, D.K.; Kebarle, P., Binding Energies and Stabilities of Chloronium Ions from Study of the Gas - Phase Equilibria: R1+ + ClR2 = R1ClR2+, J. Am. Chem. Soc., 1978, 100, 18, 5826, https://doi.org/10.1021/ja00486a039 . [all data]

McMahon, Heinis, et al., 1988
McMahon, T.; Heinis, T.; Nicol, G.; Hovey, J.K.; Kebarle, P., Methyl Cation Affinities, J. Am. Chem. Soc., 1988, 110, 23, 7591, https://doi.org/10.1021/ja00231a002 . [all data]

Foster, Williamson, et al., 1974
Foster, M.S.; Williamson, A.D.; Beauchamp, J.L., Photoionization mass spectrometry of trans-azomethane, Int. J. Mass Spectrom. Ion Phys., 1974, 15, 429. [all data]

Staley and Beauchamp, 1975
Staley, R.H.; Beauchamp, J.L., Intrinsic Acid - Base Properties of Molecules. Binding Energies of Li+ to pi - and n - Donor Bases, J. Am. Chem. Soc., 1975, 97, 20, 5920, https://doi.org/10.1021/ja00853a050 . [all data]

Dzidic and Kebarle, 1970
Dzidic, I.; Kebarle, P., Hydration of the Alkali Ions in the Gas Phase. Enthalpies and Entropies of Reactions M+(H2O)n-1 + H2O = M+(H2O)n, J. Phys. Chem., 1970, 74, 7, 1466, https://doi.org/10.1021/j100702a013 . [all data]

Sharma, Meza de Hojer, et al., 1985
Sharma, D.M.S.; Meza de Hojer, S.; Kebarle, P., Stabilities of halonium ions from a study of gas-phase equilibria R+ + XR' = (RXR')+, J. Am. Chem. Soc., 1985, 107, 13, 3757, https://doi.org/10.1021/ja00299a002 . [all data]

Meot-Ner, 1984
Meot-Ner, (Mautner)M., The Ionic Hydrogen Bond and Ion Solvation. 1. -NH+ O-, -NH+ N- and -OH+ O- Bonds. Correlations with Proton Affinity. Deviations Due to Structural Effects, J. Am. Chem. Soc., 1984, 106, 5, 1257, https://doi.org/10.1021/ja00317a015 . [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Hochmann, Templet, et al., 1975
Hochmann, P.; Templet, P.H.; Wang, H.-t.; McGlynn, S.P., Molecular Rydberg transitions. I. Low-energy Rydberg transitions in methyl halides, J. Chem. Phys., 1975, 62, 2588. [all data]

Werner, Tsai, et al., 1974
Werner, A.S.; Tsai, B.P.; Baer, T., Photoionization study of the ionization potentials fragmentation paths of the chlorinated methanes carbon tetrabromide, J. Chem. Phys., 1974, 60, 3650. [all data]

Lossing, 1972
Lossing, F.P., Free radicals by mass spectrometry. XLIV. Ionization potentials bond dissociation energies for chloro-and fluoromethyl radicals, Bull. Soc. Chim. Belg., 1972, 81, 125. [all data]

Ragle, Stenhouse, et al., 1970
Ragle, J.L.; Stenhouse, I.A.; Frost, D.C.; McDowell, C.A., Valence-shell ionization potentials of halomethanes by photoelectron spectroscopy. I. CH3Cl, CH3Br, CH3I. Vibrational frequencies and vibronic interaction in CH3Br+ and CH3Cl+, J. Chem. Phys., 1970, 53, 178. [all data]

Dewar and Worley, 1969
Dewar, M.J.S.; Worley, S.D., Photoelectron spectra of molecules. I. Ionization potentials of some organic molecules and their interpretation, J. Chem. Phys., 1969, 50, 654. [all data]

Nicholson, 1965
Nicholson, A.J.C., Photoionization-efficiency curves. II. False and genuine structure, J. Chem. Phys., 1965, 43, 1171. [all data]

Dibeler and Walker, 1965
Dibeler, V.H.; Walker, J.A., Ion-pair process in CH3Cl by photoionization, J. Chem. Phys., 1965, 43, 1842. [all data]

Watanabe, 1957
Watanabe, K., Ionization potentials of some molecules, J. Chem. Phys., 1957, 26, 542. [all data]

Price, 1936
Price, W.C., The far ultraviolet absorption spectra and ionization potentials of the alkyl halides. Part I, J. Chem. Phys., 1936, 4, 539. [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

Utsunomiya, Kobayashi, et al., 1980
Utsunomiya, C.; Kobayashi, T.; Nagakura, S., Photoelectron angular distribution measurements for some aliphatic alcohols, amines, halides, Bull. Chem. Soc. Jpn., 1980, 53, 1216. [all data]

Uehara, Saito, et al., 1973
Uehara, Y.; Saito, N.; Yonezawa, T., Ionization potentials of trifluoromethyl and methyl halides by photoelectron spectroscopy and calculations by extended Hucket and CNDO/2 methods, Chem. Lett., 1973, 495. [all data]

Dixon, Murrell, et al., 1971
Dixon, R.N.; Murrell, J.N.; Narayan, B., The photoelectron spectra of the halomethanes, Mol. Phys., 1971, 20, 611. [all data]

Reed and Snedden, 1956
Reed, R.I.; Snedden, W., Studies in electron impact methods. Part 6.-The formation of the methine and carbon ions, J. Chem. Soc. Faraday Trans., 1956, 55, 876. [all data]

Tsuda and Hamill, 1964
Tsuda, S.; Hamill, W.H., Structure in ionization efficiency curves near threshold from alkanes and alkyl halides, J. Chem. Phys., 1964, 41, 2713. [all data]

Martin, Lampe, et al., 1966
Martin, R.H.; Lampe, F.W.; Taft, R.W., An electron-impact study of ionization and dissociation in methoxy- and halogen- substituted methanes, J. Am. Chem. Soc., 1966, 88, 1353. [all data]

Krauss, Walker, et al., 1968
Krauss, M.; Walker, J.A.; Dibeler, V.H., Mass spectrometric study of photoionization. X. Hydrogen chloride and methyl halides, J. Res. NBS, 1968, 72A, 281. [all data]

Tsuda, Melton, et al., 1964
Tsuda, S.; Melton, C.E.; Hamill, W.H., Ionization- efficiency curves for molecular and fragment ions from methane and the methyl halides, J. Chem. Phys., 1964, 41, 689. [all data]

Pacáková, Vojtechová, et al., 1988
Pacáková, V.; Vojtechová, H.; Coufal, P., Reaction gas chromatography: study of the photodecomposition of halogenated hydrocarbons, Chromatographia, 1988, 25, 7, 621-626, https://doi.org/10.1007/BF02327659 . [all data]

Hively and Hinton, 1968
Hively, R.A.; Hinton, R.E., Variation of the retention index with temperature on squalane substrates, J. Gas Chromatogr., 1968, 6, 4, 203-217, https://doi.org/10.1093/chromsci/6.4.203 . [all data]

White, Douglas, et al., 1992
White, C.M.; Douglas, L.J.; Hackett, J.P.; Anderson, R.R., Characterization of synthetic gasoline from the chloromethane-zeolite reaction, Energy Fuels, 1992, 6, 1, 76-82, https://doi.org/10.1021/ef00031a012 . [all data]

Zenkevich, 2005
Zenkevich, I.G., Experimentally measured retention indices., 2005. [all data]

Zenkevich, Eliseenkov, et al., 2006
Zenkevich, I.G.; Eliseenkov, E.V.; Kasatochkin, A.N., Application of Retention Indices in GC-MS Identification of Halogenated Organic Compounds, Mass Spectromery (Rus.), 2006, 3, 2, 131-140. [all data]

Blunden, Aneja, et al., 2005
Blunden, J.; Aneja, V.P.; Lonneman, W.A., Characterization of non-methane volatile organic compounds at swine facilities in eastern North Carolina, Atm. Environ., 2005, 39, 36, 6707-6718, https://doi.org/10.1016/j.atmosenv.2005.03.053 . [all data]

Zenkevich, 1999
Zenkevich, I.G., Mutual Correlation between Gas-Chromatographic Retention Indices of Organic Compounds from Different Series, Zh. Anal. Khim., 1999, 54, 12, 1272-1279. [all data]

Zenkevich, 1998
Zenkevich, I.G., Reciprocally Unambiguous Conformity Between GC Retention Indices and Boiling Points within Two- and Multidimensional Taxonomic Groups of Organic Compounds, J. Hi. Res. Chromatogr., 1998, 21, 10, 565-568, https://doi.org/10.1002/(SICI)1521-4168(19981001)21:10<565::AID-JHRC565>3.0.CO;2-6 . [all data]

Zenkevich and Chupalov, 1996
Zenkevich, I.G.; Chupalov, A.A., New Possibilities of Chromato Mass Pectrometric Identification of Organic Compounds Using Increments of Gas Chromatographic Retention Indices of Molecular Structural Fragments, Zh. Org. Khim. (Rus.), 1996, 32, 5, 656-666. [all data]


Notes

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