Methylene chloride
- Formula: CH2Cl2
- Molecular weight: 84.933
- IUPAC Standard InChIKey: YMWUJEATGCHHMB-UHFFFAOYSA-N
- CAS Registry Number: 75-09-2
- 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. - Isotopologues:
- Other names: Methane, dichloro-; Aerothene MM; Dichloromethane; Freon 30; Methylene dichloride; Narkotil; Solaesthin; Solmethine; CH2Cl2; Methane dichloride; Methylene bichloride; Chlorure de methylene; Metylenu chlorek; NCI-C50102; R 30; Rcra waste number U080; UN 1593; Methoklone; Salesthin; F 30; F 30 (chlorocarbon); HCC 30; Khladon 30; Metaclen; NSC 406122; Soleana VDA
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Reaction thermochemistry data
Go To: Top, Henry's Law 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 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
MS - José A. Martinho Simões
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
CHCl2- + =
By formula: CHCl2- + H+ = CH2Cl2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1572. ± 9.2 | kJ/mol | G+TS | Born, Ingemann, et al., 2000 | gas phase; D-EA from this reference yields BDE = 96.0±3.2 kcal/mol; B |
ΔrH° | 1567. ± 13. | kJ/mol | G+TS | Bohme, Lee-Ruff, et al., 1972 | gas phase; Comparable to DMSO; value altered from reference due to change in acidity scale; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1540. ± 8.4 | kJ/mol | IMRE | Born, Ingemann, et al., 2000 | gas phase; D-EA from this reference yields BDE = 96.0±3.2 kcal/mol; B |
ΔrG° | 1543.9 ± 2.9 | kJ/mol | IMRE | Poutsma, Paulino, et al., 1997 | gas phase; relative to tBuOH at ΔGacid = 369.3; B |
ΔrG° | 1535. ± 13. | kJ/mol | IMRB | Bohme, Lee-Ruff, et al., 1972 | gas phase; Comparable to DMSO; value altered from reference due to change in acidity scale; B |
By formula: Cl- + CH2Cl2 = (Cl- • CH2Cl2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 66.1 ± 8.4 | kJ/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,M |
ΔrH° | 61.9 ± 8.4 | kJ/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
ΔrH° | 64.9 ± 1.3 | kJ/mol | TDEq | Dougherty, Dalton, et al., 1974 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92.5 | J/mol*K | N/A | Larson and McMahon, 1984 | gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; Kebarle, 1977; M |
ΔrS° | 92.0 | J/mol*K | HPMS | Dougherty, Dalton, et al., 1974 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 38. ± 8.4 | kJ/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,M |
ΔrG° | 37.0 | kJ/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
ΔrG° | 37.2 ± 2.5 | kJ/mol | TDEq | Dougherty, Dalton, et al., 1974 | gas phase; B |
By formula: CN- + CH2Cl2 = (CN- • CH2Cl2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 68. ± 15. | kJ/mol | IMRE | Larson and McMahon, 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 101. | J/mol*K | N/A | Larson and McMahon, 1987 | gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 38. ± 9.6 | kJ/mol | IMRE | Larson and McMahon, 1987 | gas phase; B,M |
By formula: C2H5+ + CH2Cl2 = (C2H5+ • CH2Cl2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 151. | kJ/mol | PHPMS | Sharma, Meza de Hojer, et al., 1985 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 189. | J/mol*K | PHPMS | Sharma, Meza de Hojer, et al., 1985 | gas phase; Entropy change is questionable; M |
By formula: 2H2 + CH2Cl2 = CH4 + 2HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -163.4 ± 1.3 | kJ/mol | Chyd | Lacher, Amador, et al., 1967 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -167.7 ± 1.3 kJ/mol; At 250 C; ALS |
By formula: CH2Cl3- + 2CH2Cl2 = C2H4Cl5-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 54.81 | kJ/mol | N/A | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 27.4 | kJ/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
By formula: C2H4Cl5- + 3CH2Cl2 = C3H6Cl7-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 40.6 | kJ/mol | N/A | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 19.4 | kJ/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
By formula: C3H6Cl7- + 4CH2Cl2 = C4H8Cl9-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 37.7 | kJ/mol | N/A | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 15.2 | kJ/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
C4H8Cl9- + 5 = C5H10Cl11-
By formula: C4H8Cl9- + 5CH2Cl2 = C5H10Cl11-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 32.2 | kJ/mol | N/A | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 11.0 | kJ/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
By formula: C3H7+ + CH2Cl2 = (C3H7+ • CH2Cl2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 65.3 | kJ/mol | PHPMS | Sharma, Meza de Hojer, et al., 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 130. | J/mol*K | PHPMS | Sharma, Meza de Hojer, et al., 1985 | gas phase; M |
By formula: C6H11+ + CH2Cl2 = (C6H11+ • CH2Cl2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 44.4 | kJ/mol | PHPMS | Sharma, Meza de Hojer, et al., 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 130. | J/mol*K | PHPMS | Sharma, Meza de Hojer, et al., 1985 | gas phase; M |
By formula: Li+ + CH2Cl2 = (Li+ • CH2Cl2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 120. | kJ/mol | ICR | Staley and Beauchamp, 1975 | gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 interpolated; M |
By formula: C4H9+ + CH2Cl2 = (C4H9+ • CH2Cl2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 40. | kJ/mol | PHPMS | Sharma, Meza de Hojer, et al., 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 93.3 | J/mol*K | PHPMS | Sharma, Meza de Hojer, et al., 1985 | gas phase; M |
By formula: C5H11+ + CH2Cl2 = (C5H11+ • CH2Cl2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 40. | kJ/mol | PHPMS | Sharma, Meza de Hojer, et al., 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 97.5 | J/mol*K | PHPMS | Sharma, Meza de Hojer, et al., 1985 | gas phase; M |
By formula: C5H9+ + CH2Cl2 = (C5H9+ • CH2Cl2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 41. | kJ/mol | PHPMS | Sharma, Meza de Hojer, et al., 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84.5 | J/mol*K | PHPMS | Sharma, Meza de Hojer, et al., 1985 | gas phase; M |
C14H21MnO2 (solution) + (solution) = C8H7Cl2MnO2 (solution) + (solution)
By formula: C14H21MnO2 (solution) + CH2Cl2 (solution) = C8H7Cl2MnO2 (solution) + C7H16 (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -37.7 ± 4.2 | kJ/mol | PAC | Yang and Yang, 1992 | solvent: Heptane; MS |
Henry's Law data
Go To: Top, 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: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
0.36 | 4100. | L | N/A | |
0.41 | M | N/A | ||
0.38 | 3500. | X | N/A | |
0.40 | 3800. | M | N/A | |
0.40 | 3900. | X | N/A | |
0.40 | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. | |
0.34 | 4300. | X | N/A | |
0.47 | 3800. | M | Gossett, 1987 | |
0.35 | 4200. | X | N/A | |
0.39 | 4500. | X | N/A | |
0.35 | 4200. | M | N/A | |
0.31 | 3600. | X | N/A | |
0.31 | 3700. | X | Leighton and Calo, 1981 | |
0.39 | L | N/A | ||
0.85 | 4200. | X | N/A | |
0.40 | V | N/A | ||
1.2 | V | N/A | Value at T = 275. K. | |
0.37 | C | N/A | ||
0.44 | V | N/A | ||
0.33 | M | Pearson and McConnell, 1975 | The same data was also published in missing citation. Value at T = 293. K. | |
0.44 | 4100. | M | N/A |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry data, Henry's Law 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 evaluated as indicated in comments:
L - Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
MM - Michael M. Meot-Ner (Mautner)
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
LL - Sharon G. Lias and Joel F. Liebman
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 11.33 ± 0.04 | eV | N/A | N/A | L |
Proton affinity at 298K
Proton affinity (kJ/mol) | Reference | Comment |
---|---|---|
628. ± 8. | Cacace, de Petris, et al., 1999 | COS; C2H2. Paper reports PA although proton transfer reactivity brackets GB. Following authors, the GBs of CH2Cl2 and COS are equated given reversible proton transfer.; MM |
Gas basicity at 298K
Gas basicity (review) (kJ/mol) | Reference | Comment |
---|---|---|
602. ± 8. | Cacace, de Petris, et al., 1999 | COS; C2H2. Paper reports PA although proton transfer reactivity brackets GB. Following authors, the GBs of CH2Cl2 and COS are equated given reversible proton transfer.; MM |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
11.32 | PE | Von Niessen, Asbrink, et al., 1982 | LBLHLM |
11.40 | PE | Kimura, Katsumata, et al., 1981 | LLK |
11.32 ± 0.01 | PI | Werner, Tsai, et al., 1974 | LLK |
11.28 | EI | Lossing, 1972 | LLK |
11.33 | PE | Dewar and Worley, 1969 | RDSH |
11.36 | CI | Cermak, 1968 | RDSH |
11.35 ± 0.02 | PI | Watanabe, 1957 | RDSH |
11.40 | PE | Dixon, Murrell, et al., 1971 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C+ | 25.5 ± 0.1 | ? | EI | Reed and Snedden, 1956 | RDSH |
CH+ | 21.72 ± 0.04 | ? | EI | Reed and Snedden, 1956 | RDSH |
CHCl2+ | 13.00 ± 0.10 | H | EI | Reed and Snedden, 1956 | RDSH |
CH2+ | 17.0 | Cl2 | EI | Haney and Franklin, 1968 | RDSH |
CH2Cl+ | 12.10 | Cl | EI | Holmes, Lossing, et al., 1988 | LL |
CH2Cl+ | 12.14 ± 0.02 | Cl | PI | Werner, Tsai, et al., 1974 | LLK |
CH2Cl+ | 12.15 | Cl | EI | Lossing, 1972 | LLK |
CH2Cl+ | 12.1 ± 0.1 | Cl | EI | Harrison and Shannon, 1962 | RDSH |
CH2Cl+ | 12.89 ± 0.03 | Cl | EI | Reed and Snedden, 1956 | RDSH |
CHC12+ | 12.12 ± 0.05 | H | EI | Martin, Lampe, et al., 1966 | RDSH |
Cl+ | 17.4 ± 0.1 | CH2Cl | EI | DeCorpo, Bafus, et al., 1971 | LLK |
Cl+ | 17.4 | CH2Cl | EI | Franklin and Haney, 1970 | RDSH |
De-protonation reactions
CHCl2- + =
By formula: CHCl2- + H+ = CH2Cl2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1572. ± 9.2 | kJ/mol | G+TS | Born, Ingemann, et al., 2000 | gas phase; D-EA from this reference yields BDE = 96.0±3.2 kcal/mol; B |
ΔrH° | 1567. ± 13. | kJ/mol | G+TS | Bohme, Lee-Ruff, et al., 1972 | gas phase; Comparable to DMSO; value altered from reference due to change in acidity scale; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1540. ± 8.4 | kJ/mol | IMRE | Born, Ingemann, et al., 2000 | gas phase; D-EA from this reference yields BDE = 96.0±3.2 kcal/mol; B |
ΔrG° | 1543.9 ± 2.9 | kJ/mol | IMRE | Poutsma, Paulino, et al., 1997 | gas phase; relative to tBuOH at ΔGacid = 369.3; B |
ΔrG° | 1535. ± 13. | kJ/mol | IMRB | Bohme, Lee-Ruff, et al., 1972 | gas phase; Comparable to DMSO; value altered from reference due to change in acidity scale; B |
Mass spectrum (electron ionization)
Go To: Top, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: 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 | Japan AIST/NIMC Database- Spectrum MS-NW-5526 |
NIST MS number | 228003 |
References
Go To: Top, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics 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.
Born, Ingemann, et al., 2000
Born, M.; Ingemann, S.; Nibbering, N.M.M.,
Thermochemical properties of halogen-substituted methanes, methyl radicals, and carbenes in the gas phase,
Int. J. Mass Spectrom., 2000, 194, 2-3, 103-113, https://doi.org/10.1016/S1387-3806(99)00125-6
. [all data]
Bohme, Lee-Ruff, et al., 1972
Bohme, D.K.; Lee-Ruff, E.; Young, L.B.,
Acidity order of selected bronsted acids in the gas phase at 300K,
J. Am. Chem. Soc., 1972, 94, 5153. [all data]
Poutsma, Paulino, et al., 1997
Poutsma, J.C.; Paulino, J.A.; Squires, R.R.,
Absolute Heats of Formation of CHCl, CHF, and CClF. A Gas-Phase Experimental and G2 Theoretical Study.,
J. Phys. Chem. A, 1997, 101, 29, 5327, https://doi.org/10.1021/jp970778f
. [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]
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]
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]
Kebarle, 1977
Kebarle, P.,
Ion Thermochemistry and Solvation from Gas Phase Ion Equilibria,
Ann. Rev. Phys. Chem., 1977, 28, 1, 445, https://doi.org/10.1146/annurev.pc.28.100177.002305
. [all data]
Larson and McMahon, 1987
Larson, J.W.; McMahon, T.B.,
Hydrogen bonding in gas phase anions. The energetics of interaction between cyanide ion and bronsted acids,
J. Am. Chem. Soc., 1987, 109, 6230. [all data]
Payzant, Yamdagni, et al., 1971
Payzant, J.D.; Yamdagni, R.; Kebarle, P.,
Hydration of CN-, NO2-, NO3-, and HO- in the gas phase,
Can. J. Chem., 1971, 49, 3308. [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]
Lacher, Amador, et al., 1967
Lacher, J.R.; Amador, A.; Park, J.D.,
Reaction heats of organic compounds. Part 5.-Heats of hydrogenation of dichloromethane, 1,1- and 1,2-dichloroethane and 1,2-dichloropropane,
Trans. Faraday Soc., 1967, 63, 1608-1611. [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]
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]
Yang and Yang, 1992
Yang, P.-F.; Yang, K.G.,
J. Am. Chem. Soc., 1992, 114, 6937. [all data]
Gossett, 1987
Gossett, J.M.,
Measurement of Henry's Law Constants for C1 and C2 Chlorinated Hydrocarbons,
Environ. Sci. Technol., 1987, 21, 202-208. [all data]
Leighton and Calo, 1981
Leighton, D.T.; Calo, J.M.,
Distribution Coefficients of Chlorinated Hydrocarbons in Dilute Air-Water Systems for Groundwater Contamination Applications,
J. Chem. Eng. Data, 1981, 26, 382-385. [all data]
Pearson and McConnell, 1975
Pearson, C.R.; McConnell, G.,
Chlorinated C1 and C2 Hydrocarbons in the Marine Environment,
Proc. R. Soc. London, B, 1975, 189, 305-332. [all data]
Cacace, de Petris, et al., 1999
Cacace, F.; de Petris, G.; Pepi, F.; Rosi, M.; Troiani, A.,
Gaseous [H3C-Cl-Cl](+) ions from the reaction of methane with Cl-3(+), the first example of a new dihalogenation process: Formation and characterization of CH3Cl2+ isomers by experimental and theoretical methods,
Chemistry - A European Journal, 1999, 5, 2750. [all data]
Von Niessen, Asbrink, et al., 1982
Von Niessen, W.; Asbrink, L.; Bieri, G.,
30.4 nm He(II) Photoelectron spectra of organic molecules. Part VI. Halogeno-compounds (C,H,X: X = Cl, Br, I),
J. Electron Spectrosc. Relat. Phenom., 1982, 26, 173. [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]
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]
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]
Cermak, 1968
Cermak, V.,
Penning ionization electron spectroscopy. I. Determination of ionization potentials of polyatomic molecules,
Collection Czech. Chem. Commun., 1968, 33, 2739. [all data]
Watanabe, 1957
Watanabe, K.,
Ionization potentials of some molecules,
J. Chem. Phys., 1957, 26, 542. [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]
Haney and Franklin, 1968
Haney, M.A.; Franklin, J.L.,
Correlation of excess energies of electron-impact dissociations with the translational energies of the products,
J.Chem. Phys., 1968, 48, 4093. [all data]
Holmes, Lossing, et al., 1988
Holmes, J.L.; Lossing, F.P.; McFarlane, R.A.,
Stabilization energy and positional effects in halogen-substituted alkyl ions.,
Int. J. Mass Spectrom. Ion Phys., 1988, 86, 209. [all data]
Harrison and Shannon, 1962
Harrison, A.G.; Shannon, T.W.,
An electron impact study of chloromethyl and dichloromethyl derivatives,
Can. J. Chem., 1962, 40, 1730. [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]
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Enthalpies of formation of the monohalomethyl radicals from mass spectrometric studies of the dihalomethanes,
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Franklin and Haney, 1970
Franklin, J.L.; Haney, M.A.,
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Notes
Go To: Top, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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