Methane, diiodo-
- Formula: CH2I2
- Molecular weight: 267.8355
- IUPAC Standard InChIKey: NZZFYRREKKOMAT-UHFFFAOYSA-N
- CAS Registry Number: 75-11-6
- 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: Diiodomethane; Methylene diiodide; Methylene iodide; CH2I2; Dijodmethan; Methylenjodid; MI-Gee; Methyl diiodide; Mi-gee brand; NSC 35804
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Gas phase thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 28.1 ± 1.0 | kcal/mol | Cm | Kudchadker and Kudchadker, 1976 | |
ΔfH°gas | 29.2 ± 1.0 | kcal/mol | Eqk | Furuyama, Golden, et al., 1968 |
Condensed phase thermochemistry data
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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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | 16.4 ± 0.2 | kcal/mol | Ccr | Carson, Laye, et al., 1993 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -178.7 ± 0.1 | kcal/mol | Ccr | Carson, Laye, et al., 1993 | ALS |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
31.981 | 298.15 | Carson, Laye, et al., 1993 | DH |
26.96 | 298.15 | Shehatta, 1993 | DH |
32.00 | 298. | Kurbatov, 1948 | T = 12 to 164°C. Mean Cp, three temperatures.; DH |
Phase change data
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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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 278.9 ± 0.4 | K | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 10.9 | kcal/mol | V | Carson, Laye, et al., 1994 | ALS |
ΔvapH° | 10.9 | kcal/mol | GC | Carson, Laye, et al., 1994 | AC |
ΔvapH° | 11.7 | kcal/mol | C | Fuchs, Chambers, et al., 1987 | AC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
10.9 | 371. | A | Stephenson and Malanowski, 1987 | Based on data from 356. to 505. K. See also Dykyj, 1970.; AC |
11.7 | 307. | N/A | Kudchadker, Kudchadker, et al., 1979 | Based on data from 293. to 455. K.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
2.880 | 279.2 | Kafarov, Dorokhov, et al., 1987 | AC |
Reaction thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: 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: CH4 + CH2I2 = 2CH3I
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -4.7 ± 1.0 | kcal/mol | Eqk | Furuyama, Golden, et al., 1968 | gas phase |
Gas phase ion energetics data
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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:
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) | 9.46 ± 0.02 | eV | N/A | N/A | L |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.46 ± 0.02 | PI | Tsai, Baer, et al., 1975 | LLK |
9.46 | PE | Von Niessen, Asbrink, et al., 1982 | Vertical value; LBLHLM |
9.46 | PE | Potts, Lempka, et al., 1970 | Vertical value; RDSH |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CH2I+ | 10.42 | I | EI | Holmes, Lossing, et al., 1988 | LL |
CH2I+ | 10.55 ± 0.02 | I | PI | Tsai, Baer, et al., 1975 | LLK |
I+ | 13.2 ± 0.1 | CH2I | EI | DeCorpo, Bafus, et al., 1971 | LLK |
I+ | 13.8 | CH2I | EI | Franklin and Haney, 1970 | RDSH |
IR Spectrum
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Data compiled by: Coblentz Society, Inc.
- LIQUID; PERKIN-ELMER; DIGITIZED BY NIST FROM HARD COPY; 4 cm-1 resolution
- LIQUID (NEAT); DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY; 2 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
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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-4431 |
NIST MS number | 230390 |
Gas Chromatography
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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 | OV-1 | 100. | 903. | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | OV-1 | 125. | 911. | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | OV-1 | 75. | 895. | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | SP-1000 | 100. | 1510.47 | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | SP-1000 | 125. | 1522.18 | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-1 | 876. | Helmig and Greenberg, 1995 | 60. m/0.33 mm/0.25 μm, 6. K/min; Tstart: -50. C; Tend: 180. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-1 | 878. | Helmig and Greenberg, 1995 | 60. m/0.33 mm/0.25 μm; 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, IR Spectrum, 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.
Kudchadker and Kudchadker, 1976
Kudchadker, S.A.; Kudchadker, A.P.,
Erratum: Ideal gas thermodynamic properties of eight bromo- and iodomethanes,
J. Phys. Chem. Ref. Data, 1976, 5, 529-530. [all data]
Furuyama, Golden, et al., 1968
Furuyama, S.; Golden, D.M.; Benson, S.W.,
The thermochemistry of the gas-phase equilibrium 2CH3I = CH4 + CH2i2. The heat of formation of CH2I2,
J. Phys. Chem., 1968, 72, 4713-4715. [all data]
Carson, Laye, et al., 1993
Carson, A.S.; Laye, P.G.; Pedley, J.B.; Welsby, A.M.,
The enthalpies of formation iodomethane, diiodomethane, triiodomethane, and tetraiodomethane by rotating combustion calorimetry,
J. Chem. Thermodyn., 1993, 25, 261-269. [all data]
Shehatta, 1993
Shehatta, I.,
Heat capacity at constant pressure of some halogen compounds,
Thermochim. Acta, 1993, 213, 1-10. [all data]
Kurbatov, 1948
Kurbatov, V.Ya.,
Heat capacity of liquids. 2. Heat capacity and the temperature dependence of heat capacity from halogen derivatives of acylic hydrocarbons,
Zh. Obshch. Kim., 1948, 18, 372-389. [all data]
Carson, Laye, et al., 1994
Carson, A.S.; Laye, P.G.; Pedley, J.B.; Welsby, A.M.; Chickos, J.S.; Hosseini, S.,
The enthalpies of formation of iodoethane, 1,2-diiodoethane, 1,3-diiodopropane, and 1,4-diiodobutane,
J. Chem. Thermodyn., 1994, 26, 1103-1109. [all data]
Fuchs, Chambers, et al., 1987
Fuchs, Richard; Chambers, Eric J.; Stephenson, W. Kirk,
Enthalpies of interaction of nonpolar solutes with nonpolar solvents. The role of solute polarizability and molar volume in solvation,
Revue canadienne de chimie, 1987, 65, 11, 2624-2627, https://doi.org/10.1139/v87-433
. [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]
Dykyj, 1970
Dykyj, J.,
Petrochemica, 1970, 10, 2, 51. [all data]
Kudchadker, Kudchadker, et al., 1979
Kudchadker, A.P.; Kudchadker, S.A.; Shukla, R.P.; Patnaik, P.R.,
Vapor pressures and boiling points of selected halomethanes,
J. Phys. Chem. Ref. Data, 1979, 8, 2, 499, https://doi.org/10.1063/1.555600
. [all data]
Kafarov, Dorokhov, et al., 1987
Kafarov, V.V.; Dorokhov, I.N.; Vetokhin, V.N.; Volkov, L.P.,
Dokl. Phys. Chem., 1987, 298, 77. [all data]
Tsai, Baer, et al., 1975
Tsai, B.P.; Baer, T.; Werner, A.S.; Lin, S.F.,
A photoelectron-photoion coincidence study of the ionization and fragment appearance potentials of bromo- and iodomethanes,
J. Phys. Chem., 1975, 79, 570. [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]
Potts, Lempka, et al., 1970
Potts, A.W.; Lempka, H.J.; Streets, D.G.; Price, W.C.,
Photoelectron spectra of the halides of elements in groups III, IV, V and VI,
Phil. Trans. Roy. Soc. (London), 1970, A268, 59. [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]
DeCorpo, Bafus, et al., 1971
DeCorpo, J.J.; Bafus, D.A.; Franklin, J.L.,
Enthalpies of formation of the monohalomethyl radicals from mass spectrometric studies of the dihalomethanes,
J. Chem. Thermodyn., 1971, 3, 125. [all data]
Franklin and Haney, 1970
Franklin, J.L.; Haney, M.A.,
Energy distribution in ionic decomposition processes, Recent Developments in Mass Spectroscopy, ed. K. Ogata and T. Hayakawa Baltimore Univ. Park Press, Baltimore, MD, 1970, 909. [all data]
Castello and Gerbino, 1988
Castello, G.; Gerbino, T.C.,
Effect of Temperature on the Gas Chromatographic Separation of Halogenated Compounds on Polar and Non-Polar Stationary Phases,
J. Chromatogr., 1988, 437, 33-45, https://doi.org/10.1016/S0021-9673(00)90369-8
. [all data]
Helmig and Greenberg, 1995
Helmig, D.; Greenberg, J.,
Artifact formation from the use of potassium-iodide-based ozone traps during atmospheric sampling of trace organic gases,
J. Hi. Res. Chromatogr., 1995, 18, 1, 15-18, https://doi.org/10.1002/jhrc.1240180105
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy Cp,liquid Constant pressure heat capacity of liquid IE (evaluated) Recommended ionization energy Tfus Fusion (melting) point ΔcH°liquid Enthalpy of combustion of liquid 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 ΔrH° Enthalpy of reaction at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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