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Methane, iodo-

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas14.3 ± 1.4kJ/molEqkGolden, Walsh, et al., 1965Reanalyzed by Cox and Pilcher, 1970, Original value = 13.7 ± 0.67 kJ/mol
Deltafgas14.6 ± 1.0kJ/molEqkGoy and Pritchard, 1965Reanalyzed by Cox and Pilcher, 1970, Original value = 14.2 ± 1.0 kJ/mol
Deltafgas16. ± 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
Deltafliquid-13.6 ± 0.5kJ/molCcrCarson, Laye, et al., 1993ALS
Deltafliquid-12. ± 1.kJ/molChydCarson, Carter, et al., 1961ALS
Quantity Value Units Method Reference Comment
Deltacliquid-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

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
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil315.7 ± 0.2KAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus206.7KN/ATimmermans, 1952Uncertainty assigned by TRC = 0.5 K; TRC
Tfus208.1KN/ATimmermans, 1911Uncertainty assigned by TRC = 0.4 K; TRC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
30.4243.AStephenson and Malanowski, 1987Based on data from 228. - 337. K.; AC
26.5330.AStephenson and Malanowski, 1987Based on data from 315. - 502. K.; AC
31.1217.N/AWren and Vikis, 1982Based on data from 208. - 227. K.; AC
29.2274.EBBoublík and Aim, 1972Based on data from 259. - 314. K. See also Kudchadker, Kudchadker, et al., 1979.; AC
30.4233.N/AStull, 1947Based on data from 218. - 315. K.; AC
28.2288.N/AEwert, 1936Based on data from 273. - 307. K.; AC
28.41315.8VThompson and Linnett, 1936ALS

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
218. - 315.64.15541177.78-32.058Stull, 1947Coefficents calculated by NIST from author's data.
315.6 - 521.4.148971223.831-20.179Stull, 1947Coefficents calculated by NIST from author's data.
273.3 - 307.65.142811755.98626.111Thompson and Linnett, 1936Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
40.2 ± 0.4191.VGWren and Vikis, 1982Based on data from 176. - 227. K.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
9.12206.8Wren and Vikis, 1982AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, 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 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 bullet Methane, iodo-)

By formula: I- + CH3I = (I- bullet CH3I)

Quantity Value Units Method Reference Comment
Deltar35.7 ± 0.84kJ/molN/AVan Duzor, Wei, et al., 2010gas phase; B
Deltar32.6 ± 0.84kJ/molTDAsHiraoka, Fujita, et al., 1905gas phase; B
Deltar35.1 ± 2.1kJ/molN/AArnold, Neumark, et al., 1995gas phase; ZEKE data, shift relative to bare I-; B
Deltar34.7 ± 2.1kJ/molPDisCyr, Bishea, et al., 1992gas phase; B
Deltar38. ± 8.4kJ/molTDAsDougherty and Roberts, 1974gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar68.6J/mol*KHPMSDougherty and Roberts, 1974gas phase; M
Quantity Value Units Method Reference Comment
Deltar11.4 ± 0.84kJ/molTDAsHiraoka, Fujita, et al., 1905gas phase; B
Deltar17.2 ± 1.3kJ/molTDAsDougherty and Roberts, 1974gas phase; B

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

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

Quantity Value Units Method Reference Comment
Deltar41.kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar75.J/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (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 bullet Methane, iodo-)

By formula: Cl- + CH3I = (Cl- bullet CH3I)

Quantity Value Units Method Reference Comment
Deltar41.0 ± 0.84kJ/molTDAsDougherty and Roberts, 1974gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar31.J/mol*KHPMSDougherty and Roberts, 1974gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Deltar29. ± 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
Deltar-52.55 ± 0.54kJ/molEqkGolden, Walsh, et al., 1965gas phase; ALS
Deltar-53.0 ± 0.2kJ/molEqkGoy and Pritchard, 1965gas phase; ALS
Deltar-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
Deltar-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
Deltar-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
Deltar29.3 ± 0.84kJ/molTDAsHiraoka, Fujita, et al., 1905gas phase; B
Quantity Value Units Method Reference Comment
Deltar4.35 ± 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
Deltar-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
Deltar1616. ± 21.kJ/molG+TSIngemann and Nibbering, 1985gas phase; B
Quantity Value Units Method Reference Comment
Deltar1587. ± 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
Deltar-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
Deltar-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
Deltar-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
Deltar-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
Deltar-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
Deltar-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
Deltar-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
Deltar-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
Deltar-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
Deltar-20. ± 4.2kJ/molEqkFuruyama, Golden, et al., 1968gas phase; ALS

Henry's Law data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, 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: 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 

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Ion clustering data, 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman
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

Quantity Value Units Method Reference Comment
IE (evaluated)9.54 ± 0.02eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)691.7kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity665.5kJ/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
0.110 ± 0.020LPESKim, Kelley, et al., 1999B
0.30 ± 0.20NBIEMoutinho, Aten, et al., 1974Stated electron affinity is the Vertical Detachment Energy; B

Ionization energy determinations

IE (eV) Method Reference Comment
9.54 ± 0.05EIHolmes and Lossing, 1991LL
9.54PECarlson, Gerard, et al., 1988LL
10.86SBaig, Connerade, et al., 1982LBLHLM
9.54PEKimura, Katsumata, et al., 1981LLK
9.538EQLias and Ausloos, 1978LLK
9.54PIPECOMintz and Baer, 1976LLK
9.53 ± 0.01PITsai, Baer, et al., 1975LLK
9.538SHochmann, Templet, et al., 1975LLK
9.54PEBoschi and Salahub, 1974LLK
9.48 ± 0.03EIJohnstone and Mellon, 1972LLK
9.538SBoschi and Salahub, 1972LLK
9.52PEBrogli and Heilbronner, 1971LLK
10.14PEBrogli and Heilbronner, 1971LLK
9.50PERagle, Stenhouse, et al., 1970RDSH
9.54PEPotts, Lempka, et al., 1970RDSH
9.534 ± 0.005TEBaer, Peatman, et al., 1969RDSH
9.538 ± 0.003SPrice, 1936RDSH
9.53PEUtsunomiya, Kobayashi, et al., 1980Vertical value; LLK
9.9PEDromey and Peel, 1974Vertical value; LLK
9.51PEUehara, Saito, et al., 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CH+21.2 ± 0.2?EIReed and Snedden, 1956RDSH
CH2+14.6 ± 0.2HIEITsuda and Hamill, 1964RDSH
CH2I+12.78HEIHolmes, Lossing, et al., 1988LL
CH2I+12.08 ± 0.09HEIMartin, Lampe, et al., 1966RDSH
CH3+12.18IPITraeger and McLoughlin, 1981LLK
CH3+12.24 ± 0.01IPIPECOMintz and Baer, 1976LLK
CH3+12.25 ± 0.03IPITsai, Baer, et al., 1975LLK
CH3+12.07 ± 0.07IEIJohnstone and Mellon, 1972LLK
CH3+12.260 ± 0.013IPINicholson, 1970RDSH
CH3+12.22IEILossing and Semeluk, 1970RDSH
I+12.9 ± 0.05CH3EITsuda, Melton, et al., 1964RDSH

De-protonation reactions

CH2I- + Hydrogen cation = Methane, iodo-

By formula: CH2I- + H+ = CH3I

Quantity Value Units Method Reference Comment
Deltar1616. ± 21.kJ/molG+TSIngemann and Nibbering, 1985gas phase; B
Quantity Value Units Method Reference Comment
Deltar1587. ± 20.kJ/molIMRBIngemann and Nibbering, 1985gas phase; B

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, 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 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

CH3I2- + 2Methane, iodo- = C2H6I3-

By formula: CH3I2- + 2CH3I = C2H6I3-

Quantity Value Units Method Reference Comment
Deltar29.3 ± 0.84kJ/molTDAsHiraoka, Fujita, et al., 1905gas phase; B
Quantity Value Units Method Reference Comment
Deltar4.35 ± 0.84kJ/molTDAsHiraoka, Fujita, et al., 1905gas phase; B

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

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

Quantity Value Units Method Reference Comment
Deltar41.kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar75.J/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (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 bullet Methane, iodo-)

By formula: Cl- + CH3I = (Cl- bullet CH3I)

Quantity Value Units Method Reference Comment
Deltar41.0 ± 0.84kJ/molTDAsDougherty and Roberts, 1974gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar31.J/mol*KHPMSDougherty and Roberts, 1974gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Deltar29. ± 5.4kJ/molTDAsDougherty and Roberts, 1974gas phase; B

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

By formula: I- + CH3I = (I- bullet CH3I)

Quantity Value Units Method Reference Comment
Deltar35.7 ± 0.84kJ/molN/AVan Duzor, Wei, et al., 2010gas phase; B
Deltar32.6 ± 0.84kJ/molTDAsHiraoka, Fujita, et al., 1905gas phase; B
Deltar35.1 ± 2.1kJ/molN/AArnold, Neumark, et al., 1995gas phase; ZEKE data, shift relative to bare I-; B
Deltar34.7 ± 2.1kJ/molPDisCyr, Bishea, et al., 1992gas phase; B
Deltar38. ± 8.4kJ/molTDAsDougherty and Roberts, 1974gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar68.6J/mol*KHPMSDougherty and Roberts, 1974gas phase; M
Quantity Value Units Method Reference Comment
Deltar11.4 ± 0.84kJ/molTDAsHiraoka, Fujita, et al., 1905gas phase; B
Deltar17.2 ± 1.3kJ/molTDAsDougherty and Roberts, 1974gas phase; B

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, 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

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 NIST Mass Spectrometry Data Center, 1990.
NIST MS number 118703

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, 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: Takehiko Shimanouchi

Symmetry:   C3nu     Symmetry Number sigma = 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(2«nu»5)
a1 1 CH3 s-str 2933  E 2861.0 M gas FR(2«nu»5)
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(«nu»3+«nu»6)
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, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), 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
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Cox and Pilcher, 1970
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Goy and Pritchard, 1965
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Furuyama, Golden, et al., 1968
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Hunter and Lias, 1998
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Kim, Kelley, et al., 1999
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Moutinho, Aten, et al., 1974
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Carlson, Gerard, et al., 1988
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Baig, Connerade, et al., 1982
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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]

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Mintz and Baer, 1976
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Tsai, Baer, et al., 1975
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Boschi, R.A.A.; Salahub, D.R., The high resolution photoelectron spectra of some iodoalkanes, iodocycloalkanes, iodoalkenes, and fluoroiodohydrocarbons, Can. J. Chem., 1974, 52, 1217. [all data]

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Boschi and Salahub, 1972
Boschi, R.A.; Salahub, D.R., The far ultra-violet spectra of some 1-iodoalkanes, Mol. Phys., 1972, 24, 289. [all data]

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Uehara, Saito, et al., 1973
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Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References