Methane, iodo-

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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
Δfgas14.3 ± 1.4kJ/molEqkGolden, Walsh, et al., 1965Reanalyzed by Cox and Pilcher, 1970, Original value = 13.7 ± 0.67 kJ/mol
Δfgas14.6 ± 1.0kJ/molEqkGoy and Pritchard, 1965Reanalyzed by Cox and Pilcher, 1970, Original value = 14.2 ± 1.0 kJ/mol
Δfgas16. ± 1.kJ/molChydCarson, Carter, et al., 1961 

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
Δfliquid-13.6 ± 0.5kJ/molCcrCarson, Laye, et al., 1993ALS
Δfliquid-12. ± 1.kJ/molChydCarson, Carter, et al., 1961ALS
Quantity Value Units Method Reference Comment
Δcliquid-808.6 ± 0.3kJ/molCcrCarson, Laye, et al., 1993ALS

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
82.75298.15Carson, Laye, et al., 1993DH
82.0298.15Shehatta, 1993DH
82.76298.2Low and Moelwyn-Hughes, 1962T = 293 to 308 K.; DH
82.68300.Harrison and Moelwyn-Hughes, 1957T = 243 to 303 K.; DH
148.1298.Kurbatov, 1948T = -56 to 35°C. Mean Cp five temperatures.; DH

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 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

Iodide + Methane, iodo- = (Iodide • Methane, iodo-)

By formula: I- + CH3I = (I- • CH3I)

Quantity Value Units Method Reference Comment
Δr35.7 ± 0.84kJ/molN/AVan Duzor, Wei, et al., 2010gas phase; B
Δr32.6 ± 0.84kJ/molTDAsHiraoka, Fujita, et al., 1905gas phase; B
Δr35.1 ± 2.1kJ/molN/AArnold, Neumark, et al., 1995gas phase; ZEKE data, shift relative to bare I-; B
Δr34.7 ± 2.1kJ/molPDisCyr, Bishea, et al., 1992gas phase; B
Δr38. ± 8.4kJ/molTDAsDougherty and Roberts, 1974gas phase; B,M
Quantity Value Units Method Reference Comment
Δr68.6J/mol*KHPMSDougherty and Roberts, 1974gas phase; M
Quantity Value Units Method Reference Comment
Δr11.4 ± 0.84kJ/molTDAsHiraoka, Fujita, et al., 1905gas phase; B
Δr17.2 ± 1.3kJ/molTDAsDougherty and Roberts, 1974gas phase; B

C6H7N+ + Methane, iodo- = (C6H7N+ • Methane, iodo-)

By formula: C6H7N+ + CH3I = (C6H7N+ • CH3I)

Quantity Value Units Method Reference Comment
Δr41.kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr75.J/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
18.299.PHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M

Chlorine anion + Methane, iodo- = (Chlorine anion • Methane, iodo-)

By formula: Cl- + CH3I = (Cl- • CH3I)

Quantity Value Units Method Reference Comment
Δr41.0 ± 0.84kJ/molTDAsDougherty and Roberts, 1974gas phase; B,M
Quantity Value Units Method Reference Comment
Δr31.J/mol*KHPMSDougherty and Roberts, 1974gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr29. ± 5.4kJ/molTDAsDougherty and Roberts, 1974gas phase; B

Hydrogen iodide + Methane, iodo- = Methane + Iodine

By formula: HI + CH3I = CH4 + I2

Quantity Value Units Method Reference Comment
Δr-52.55 ± 0.54kJ/molEqkGolden, Walsh, et al., 1965gas phase; ALS
Δr-53.0 ± 0.2kJ/molEqkGoy and Pritchard, 1965gas phase; ALS
Δr-46.2 ± 5.6kJ/molCmNichol and Ubbelohde, 1952gas phase; ALS

C12H16Nb (cr) + 2Iodine (cr) = C10H10I2Nb (cr) + 2Methane, iodo- (l)

By formula: C12H16Nb (cr) + 2I2 (cr) = C10H10I2Nb (cr) + 2CH3I (l)

Quantity Value Units Method Reference Comment
Δr-242.3 ± 2.4kJ/molRSCDiogo, Simoni, et al., 1993The difference between the enthalpies of formation of Nb(Cp)2(I)2 and Nb(Cp)2(Me)2 is calculated as -215.1 ± 2.6 kJ/mol; MS

C14H22CoN5O4 (solution) + Iodine (solution) = C13H19CoIN5O4 (solution) + Methane, iodo- (solution)

By formula: C14H22CoN5O4 (solution) + I2 (solution) = C13H19CoIN5O4 (solution) + CH3I (solution)

Quantity Value Units Method Reference Comment
Δr-92.9 ± 2.5kJ/molRSCToscano, Seligson, et al., 1989solvent: Bromoform; The enthalpy of solution of Co(py)(dmg)2(Me)(cr) was measured as 10.9 kJ/mol Toscano, Seligson, et al., 1989; MS

CH3I2- + 2Methane, iodo- = C2H6I3-

By formula: CH3I2- + 2CH3I = C2H6I3-

Quantity Value Units Method Reference Comment
Δr29.3 ± 0.84kJ/molTDAsHiraoka, Fujita, et al., 1905gas phase; B
Quantity Value Units Method Reference Comment
Δr4.35 ± 0.84kJ/molTDAsHiraoka, Fujita, et al., 1905gas phase; B

magnesium (cr) + Methane, iodo- (solution) = CH3IMg (solution)

By formula: Mg (cr) + CH3I (solution) = CH3IMg (solution)

Quantity Value Units Method Reference Comment
Δr-273.6 ± 0.8kJ/molRSCCarson and Skinner, 1950solvent: Diethyl ether; It was assumed that MeI(l) has a negligible solution enthalpy in ether; MS

CH2I- + Hydrogen cation = Methane, iodo-

By formula: CH2I- + H+ = CH3I

Quantity Value Units Method Reference Comment
Δr1616. ± 21.kJ/molG+TSIngemann and Nibbering, 1985gas phase; B
Quantity Value Units Method Reference Comment
Δr1587. ± 20.kJ/molIMRBIngemann and Nibbering, 1985gas phase; B

Mercury, dimethyl- (l) + 2Iodine (cr) = 2Methane, iodo- (l) + Mercury diiodide (cr)

By formula: C2H6Hg (l) + 2I2 (cr) = 2CH3I (l) + HgI2 (cr)

Quantity Value Units Method Reference Comment
Δr-184.5 ± 0.8kJ/molRSCHartley, Pritchard, et al., 1950Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS

Gallium trimethyl (l) + 3Iodine (cr) = GaI3 (cr) + 3Methane, iodo- (l)

By formula: C3H9Ga (l) + 3I2 (cr) = GaI3 (cr) + 3CH3I (l)

Quantity Value Units Method Reference Comment
Δr-200.0 ± 8.4kJ/molRSCFowell and Mortimer, 1958Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS

Gallium trimethyl (l) + 2Iodine (cr) = CH3GaI2 (cr) + 2Methane, iodo- (l)

By formula: C3H9Ga (l) + 2I2 (cr) = CH3GaI2 (cr) + 2CH3I (l)

Quantity Value Units Method Reference Comment
Δr-158.6 ± 4.2kJ/molRSCFowell and Mortimer, 1958Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS

C16H34P2Ru (solution) + Methane, iodo- (solution) = C16H33IP2Ru (solution) + Methane (solution)

By formula: C16H34P2Ru (solution) + CH3I (solution) = C16H33IP2Ru (solution) + CH4 (solution)

Quantity Value Units Method Reference Comment
Δr-188.3 ± 2.9kJ/molRSCLuo, Li, et al., 1995solvent: Tetrahydrofuran; MS

C22H36Zr (solution) + 2Iodine (solution) = C20H30I2Zr (solution) + 2Methane, iodo- (solution)

By formula: C22H36Zr (solution) + 2I2 (solution) = C20H30I2Zr (solution) + 2CH3I (solution)

Quantity Value Units Method Reference Comment
Δr-292.9 ± 2.5kJ/molRSCSchock and Marks, 1988solvent: Toluene; MS

C8H5MoNaO3 (solution) + Methane, iodo- (l) = C9H8MoO3 (solution) + Sodium iodide (cr)

By formula: C8H5MoNaO3 (solution) + CH3I (l) = C9H8MoO3 (solution) + INa (cr)

Quantity Value Units Method Reference Comment
Δr-32.2 ± 1.3kJ/molRSCNolan, López de la Vega, et al., 1986solvent: Tetrahydrofuran; MS

C12H16Zr (solution) + 2Iodine (solution) = C10H10I2Zr (solution) + 2Methane, iodo- (solution)

By formula: C12H16Zr (solution) + 2I2 (solution) = C10H10I2Zr (solution) + 2CH3I (solution)

Quantity Value Units Method Reference Comment
Δr-291.2 ± 2.5kJ/molRSCSchock and Marks, 1988solvent: Toluene; MS

C22H36Hf (solution) + 2Iodine (solution) = C20H30HfI2 (solution) + 2Methane, iodo- (solution)

By formula: C22H36Hf (solution) + 2I2 (solution) = C20H30HfI2 (solution) + 2CH3I (solution)

Quantity Value Units Method Reference Comment
Δr-265.3 ± 3.3kJ/molRSCSchock and Marks, 1988solvent: Toluene; MS

Hydrogen + 2Methane, iodo- = 2Methane + Iodine

By formula: H2 + 2CH3I = 2CH4 + I2

Quantity Value Units Method Reference Comment
Δr-126. ± 3.kJ/molChydCarson, Carter, et al., 1961liquid phase; solvent: Ether; ALS

Methane + Methane, diiodo- = 2Methane, iodo-

By formula: CH4 + CH2I2 = 2CH3I

Quantity Value Units Method Reference Comment
Δr-20. ± 4.2kJ/molEqkFuruyama, Golden, et al., 1968gas phase; ALS

Henry's Law 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: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 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)

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference Comment
0.144300.MN/A 
0.35 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.193800.MN/A 
0.18 VN/A 
0.17 CN/A 

Vibrational and/or electronic energy levels

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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: Takehiko Shimanouchi

Symmetry:   C     Symmetry Number σ = 3


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

a1 1 CH3 s-str 2933  E 2969.8 M gas FR(2ν5)
a1 1 CH3 s-str 2933  E 2861.0 M gas FR(2ν5)
a1 2 CH3 s-deform 1252  A 1251.5 S gas
a1 3 CI str 533  A 532.8 S gas
e 4 CH3 d-str 3060  A 3060.06 S gas
e 5 CH3 d-deform 1436  C 1435.5 M gas FR36)
e 6 CH3 rock 882  A 882.4 M gas

Source: Shimanouchi, 1972

Notes

SStrong
MMedium
FRFermi resonance with an overtone or a combination tone indicated in the parentheses.
A0~1 cm-1 uncertainty
C3~6 cm-1 uncertainty
E15~30 cm-1 uncertainty

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Vibrational and/or electronic energy levels, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Golden, Walsh, et al., 1965
Golden, D.M.; Walsh, R.; Benson, S.W., The thermochemistry of the gas phase equilibrium I2 + CH4 «=» CH3I + HI and the heat of formation of the methyl radical, J. Am. Chem. Soc., 1965, 87, 4053-4057. [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]

Goy and Pritchard, 1965
Goy, C.A.; Pritchard, H.O., Kinetics and thermodynamics of the reaction between iodine and methane and the heat of formation of methyl iodide, J. Phys. Chem., 1965, 69, 3040-3041. [all data]

Carson, Carter, et al., 1961
Carson, A.S.; Carter, W.; Pedley, J.B., The thermochemistry of reductions caused by lithium aluminium hydride I. The C-I bond dissociation energy in CH3I, Proc. Roy. Soc. London A, 1961, 260, 550-557. [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]

Low and Moelwyn-Hughes, 1962
Low, D.I.R.; Moelwyn-Hughes, E.A., The heat capacities of acetone, methyl iodide and mixtures thereof in the liquid state, Proc. Roy. Soc. (London), 1962, A267, 384-394. [all data]

Harrison and Moelwyn-Hughes, 1957
Harrison, D.; Moelwyn-Hughes, E.A., The heat capacities of certain liquids, Proc. Roy. Soc. (London), 1957, A239, 230-246. [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]

Van Duzor, Wei, et al., 2010
Van Duzor, M.; Wei, J.; Mbaiwa, F.; Mabbs, R., I-center dot CH3X (X=Cl, Br, I) photodetachment: The effect of electron-molecule interactions in cluster anion photodetachment spectra and angular distributions, J. Chem. Phys., 2010, 133, 14, 144303, https://doi.org/10.1063/1.3487739 . [all data]

Hiraoka, Fujita, et al., 1905
Hiraoka, K.; Fujita, K.; Ishida, M.; Ichikawa, T.; Okada, H.; Hiizumi, K.; Wada, A.; Takao, K.; Yamabe, S.; Tsuchida, N., Gas-phase Ion/Molecule Reactions in C5F8, J. Phys. Chem. A (2005), 1905, 109, 6, 1049-1056., https://doi.org/10.1021/jp040251k . [all data]

Arnold, Neumark, et al., 1995
Arnold, C.C.; Neumark, D.M.; Cyr, D.M.; Johnson, M.A., Negative ion zero electron kinetic energy spectroscopy of I-center dot CH3I, J. Phys. Chem., 1995, 99, 6, 1633, https://doi.org/10.1021/j100006a002 . [all data]

Cyr, Bishea, et al., 1992
Cyr, D.M.; Bishea, G.A.; Scarton, M.G.; Johnson, M.A., Observation of Charge-Transfer Excited States in the I-.CH3I, I-.CH3Br, and I-.CH2Br2 S(N)2 Reaction Intermediates Using Photofragmentation, J. Chem. Phys., 1992, 97, 8, 5911, https://doi.org/10.1063/1.463752 . [all data]

Dougherty and Roberts, 1974
Dougherty, R.C.; Roberts, J.D., SN2 reactions in the gas phase. Nucleophilicity effects, Org. Mass Spectrom., 1974, 8, 81. [all data]

Meot-Ner (Mautner) and El-Shall, 1986
Meot-Ner (Mautner), M.; El-Shall, M.S., Ionic Charge Transfer Complexes. 1. Cationic Complexes with Delocalized and Partially Localized pi Systems, J. Am. Chem. Soc., 1986, 108, 15, 4386, https://doi.org/10.1021/ja00275a026 . [all data]

Nichol and Ubbelohde, 1952
Nichol, R.J.; Ubbelohde, A.R., A thermochemical evaluation of bond strengths in some carbon compounds. part II. Bond strengths based on the reaction CH3I + HI = CH4 + I2, J. Am. Chem. Soc., 1952, 415-421. [all data]

Diogo, Simoni, et al., 1993
Diogo, H.P.; Simoni, J.A.; Minas da Piedade, M.E.; Dias, A.R.; Martinho Simões, J.A., J. Am. Chem. Soc., 1993, 115, 2764. [all data]

Toscano, Seligson, et al., 1989
Toscano, P.J.; Seligson, A.L.; Curran, M.T.; Skrobutt, A.T.; Sonnenberger, D.C., Inorg. Chem., 1989, 28, 166; ibid. 1989. [all data]

Carson and Skinner, 1950
Carson, A.S.; Skinner, H.A., Nature, 1950, 165, 484. [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]

Hartley, Pritchard, et al., 1950
Hartley, K.; Pritchard, H.O.; Skinner, H.A., Thermochemistry of metallic alkyls. III.?mercury dimethyl and mercury methyl halides, Trans. Faraday Soc., 1950, 46, 1019, https://doi.org/10.1039/tf9504601019 . [all data]

Pedley and Rylance, 1977
Pedley, J.B.; Rylance, J., Computer Analysed Thermochemical Data: Organic and Organometallic Compounds, University of Sussex, Brigton, 1977. [all data]

Cox and Pilcher, 1970, 2
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds in Academic Press, New York, 1970. [all data]

Fowell and Mortimer, 1958
Fowell, P.A.; Mortimer, C.T., J. Chem. Soc., 1958, 3734.. [all data]

Luo, Li, et al., 1995
Luo, L.; Li, C.; Cucullu, M.E.; Nolan, S.P., Organometallics, 1995, 14, 1333. [all data]

Schock and Marks, 1988
Schock, L.E.; Marks, T.J., J. Am. Chem. Soc., 1988, 110, 7701. [all data]

Nolan, López de la Vega, et al., 1986
Nolan, S.P.; López de la Vega, R.; Hoff, C.D., J. Organometal. Chem., 1986, 315, 187. [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]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]


Notes

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