Methane, iodo-
- Formula: CH3I
- Molecular weight: 141.9390
- IUPAC Standard InChIKey: INQOMBQAUSQDDS-UHFFFAOYSA-N
- CAS Registry Number: 74-88-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Isotopologues:
- Other names: Iodomethane; Methyl iodide; CH3I; Halon 10001; Iodometano; Iodure de methyle; Jod-methan; Joodmethaan; Methyljodid; Methyljodide; Metylu jodek; Monoioduro di metile; Rcra waste number U138; UN 2644; Methyl iodine; Monoiodomethane; NSC 9366
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Ion clustering data
Go To: Top, 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: CH3I2- + 2CH3I = C2H6I3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.00 ± 0.20 | kcal/mol | TDAs | Hiraoka, Fujita, et al., 1905 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.04 ± 0.20 | kcal/mol | TDAs | Hiraoka, Fujita, et al., 1905 | gas phase; B |
By formula: C6H7N+ + CH3I = (C6H7N+ • CH3I)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.7 | kcal/mol | PHPMS | Meot-Ner (Mautner) and El-Shall, 1986 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18. | cal/mol*K | N/A | Meot-Ner (Mautner) and El-Shall, 1986 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.3 | 299. | PHPMS | Meot-Ner (Mautner) and El-Shall, 1986 | gas phase; Entropy change calculated or estimated; M |
By formula: Cl- + CH3I = (Cl- • CH3I)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.80 ± 0.20 | kcal/mol | TDAs | Dougherty and Roberts, 1974 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 7.3 | cal/mol*K | HPMS | Dougherty and Roberts, 1974 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.0 ± 1.3 | kcal/mol | TDAs | Dougherty and Roberts, 1974 | gas phase; B |
By formula: I- + CH3I = (I- • CH3I)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.53 ± 0.20 | kcal/mol | N/A | Van Duzor, Wei, et al., 2010 | gas phase; B |
ΔrH° | 7.80 ± 0.20 | kcal/mol | TDAs | Hiraoka, Fujita, et al., 1905 | gas phase; B |
ΔrH° | 8.40 ± 0.50 | kcal/mol | N/A | Arnold, Neumark, et al., 1995 | gas phase; ZEKE data, shift relative to bare I-; B |
ΔrH° | 8.30 ± 0.50 | kcal/mol | PDis | Cyr, Bishea, et al., 1992 | gas phase; B |
ΔrH° | 9.0 ± 2.0 | kcal/mol | TDAs | Dougherty and Roberts, 1974 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 16.4 | cal/mol*K | HPMS | Dougherty and Roberts, 1974 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.73 ± 0.20 | kcal/mol | TDAs | Hiraoka, Fujita, et al., 1905 | gas phase; B |
ΔrG° | 4.10 ± 0.30 | kcal/mol | TDAs | Dougherty and Roberts, 1974 | gas phase; B |
References
Go To: Top, Ion clustering data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
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]
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]
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]
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]
Notes
Go To: Top, Ion clustering data, References
- Symbols used in this document:
T Temperature 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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