Methane, iodo-
- Formula: CH3I
- Molecular weight: 141.9390
- IUPAC Standard InChI: InChI=1S/CH3I/c1-2/h1H3
- 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
The 3d structure may be viewed using Java or Javascript. - 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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IR Spectrum
Go To: Top, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, References, Notes
Data compiled by: Coblentz Society, Inc.
- GAS (200 mmHg DILUTED TO A TOTAL PRESSURE OF 600 mmHg WITH N2); DOW KBr FOREPRISM; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
- LIQUID; Not specified, most likely a prism, grating, or hybrid spectrometer.; DIGITIZED BY NIST FROM HARD COPY; 4 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
Go To: Top, IR Spectrum, Vibrational and/or electronic energy levels, 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
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
| 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 | NIST Mass Spectrometry Data Center, 1990. |
| NIST MS number | 118703 |
Vibrational and/or electronic energy levels
Go To: Top, IR Spectrum, 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 by: Takehiko Shimanouchi
Symmetry: C3ν 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 | FR(ν3+ν6) | |||
| e | 6 | CH3 rock | 882 | A | 882.4 M | gas | ||||
Source: Shimanouchi, 1972
Notes
| S | Strong |
| M | Medium |
| FR | Fermi resonance with an overtone or a combination tone indicated in the parentheses. |
| A | 0~1 cm-1 uncertainty |
| C | 3~6 cm-1 uncertainty |
| E | 15~30 cm-1 uncertainty |
Gas Chromatography
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | OV-1 | 100. | 523. | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
| Packed | OV-1 | 125. | 528. | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
| Packed | OV-1 | 75. | 518. | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
| Packed | Apolane | 70. | 528.6 | Riedo, Fritz, et al., 1976 | He, Chromosorb; Column length: 2.4 m |
| Packed | Squalane | 27. | 502. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
| Packed | Squalane | 49. | 508. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
| Packed | Squalane | 67. | 513. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
| Packed | Squalane | 86. | 518. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
| Packed | DC-200 | 100. | 524. | Rohrschneider, 1966 | Column length: 4. m |
| Packed | Squalane | 100. | 516. | Rohrschneider, 1966 | Column length: 5. m |
| Packed | Apiezon L | 100. | 554. | Rohrschneider, 1966 | Column length: 5. m |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | SP-1000 | 100. | 804.33 | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
| Packed | SP-1000 | 125. | 802.99 | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
| Packed | SP-1000 | 75. | 818.02 | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
| Packed | Carbowax 20M | 100. | 833. | Rohrschneider, 1966 | Column length: 2. m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 506. | Helmig, Pollock, et al., 1996 | 30. m/0.25 mm/1. μm, 6. K/min; Tstart: -50. C; Tend: 180. C |
| Capillary | DB-5 | 530. | Helmig, Pollock, et al., 1996 | 60. m/0.33 mm/0.25 μm, 6. K/min; Tstart: -50. C; Tend: 180. C |
| Capillary | DB-1 | 523. | 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 | Polydimethyl siloxanes | 515. | Zenkevich, 2001 | Program: not specified |
| Capillary | SPB-1 | 509. | Flanagan, Streete, et al., 1997 | 60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C |
| Capillary | SPB-1 | 509. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C |
| Capillary | SPB-1 | 515. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: not specified |
| Capillary | OV-1 | 515. | Ramsey and Flanagan, 1982 | Program: not specified |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 806. | Ramsey and Flanagan, 1982 | Program: not specified |
References
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [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]
Riedo, Fritz, et al., 1976
Riedo, F.; Fritz, D.; Tarján, G.; Kováts, E.Sz.,
A tailor-made C87 hydrocarbon as a possible non-polar standard stationary phase for gas chromatography,
J. Chromatogr., 1976, 126, 63-83, https://doi.org/10.1016/S0021-9673(01)84063-2
. [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]
Rohrschneider, 1966
Rohrschneider, L.,
Eine methode zur charakterisierung von gaschromatographischen trennflüssigkeiten,
J. Chromatogr., 1966, 22, 6-22, https://doi.org/10.1016/S0021-9673(01)97064-5
. [all data]
Helmig, Pollock, et al., 1996
Helmig, D.; Pollock, W.; Greenberg, J.; Zimmerman, P.,
Gas chromatography mass spectrometry analysis of volatile organic trace gases at Mauna Loa Observatory, Hawaii,
J. Geophys. Res., 1996, 101, D9, 14697-14710, https://doi.org/10.1029/96JD00212
. [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]
Zenkevich, 2001
Zenkevich, I.G.,
Encyclopedia of Chromatography. Derivatization of Acids for GC Analysis, Marcel Dekker, Inc., New York - Basel, 2001, 221. [all data]
Flanagan, Streete, et al., 1997
Flanagan, R.J.; Streete, P.J.; Ramsey, J.D.,
Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56, retrieved from http://www.odccp.org/pdf/technicalseries1997-01-011.pdf. [all data]
Strete, Ruprah, et al., 1992
Strete, P.J.; Ruprah, M.; Ramsey, J.D.; Flanagan, R.J.,
Detection and identification of volatile substances by headspace capillary gas chromatography to aid the diagnosis of acute poisoning,
Analyst, 1992, 117, 7, 1111-1127, https://doi.org/10.1039/an9921701111
. [all data]
Ramsey and Flanagan, 1982
Ramsey, J.D.; Flanagan, R.J.,
Detection and Identification of Volatile Organic Compounds in Blood by Headspace Gas Chromatography as an Aid to the Diagnosis of Solvent Abuse,
J. Chromatogr., 1982, 240, 2, 423-444, https://doi.org/10.1016/S0021-9673(00)99622-5
. [all data]
Notes
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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