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
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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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, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 3.42 ± 0.34 | kcal/mol | Eqk | Golden, Walsh, et al., 1965 | Reanalyzed by Cox and Pilcher, 1970, Original value = 3.28 ± 0.16 kcal/mol |
ΔfH°gas | 3.50 ± 0.24 | kcal/mol | Eqk | Goy and Pritchard, 1965 | Reanalyzed by Cox and Pilcher, 1970, Original value = 3.40 ± 0.24 kcal/mol |
ΔfH°gas | 3.8 ± 0.3 | kcal/mol | Chyd | Carson, 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 |
---|---|---|---|---|---|
ΔfH°liquid | -3.3 ± 0.1 | kcal/mol | Ccr | Carson, Laye, et al., 1993 | ALS |
ΔfH°liquid | -2.9 ± 0.3 | kcal/mol | Chyd | Carson, Carter, et al., 1961 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -193.3 ± 0.07 | kcal/mol | Ccr | Carson, Laye, et al., 1993 | ALS |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
19.78 | 298.15 | Carson, Laye, et al., 1993 | DH |
19.6 | 298.15 | Shehatta, 1993 | DH |
19.78 | 298.2 | Low and Moelwyn-Hughes, 1962 | T = 293 to 308 K.; DH |
19.76 | 300. | Harrison and Moelwyn-Hughes, 1957 | T = 243 to 303 K.; DH |
35.40 | 298. | Kurbatov, 1948 | T = -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 |
---|---|---|---|---|---|
Tboil | 315.7 ± 0.2 | K | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 206.7 | K | N/A | Timmermans, 1952 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tfus | 208.1 | K | N/A | Timmermans, 1911 | Uncertainty assigned by TRC = 0.4 K; TRC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
7.27 | 243. | A | Stephenson and Malanowski, 1987 | Based on data from 228. to 337. K.; AC |
6.33 | 330. | A | Stephenson and Malanowski, 1987 | Based on data from 315. to 502. K.; AC |
7.43 | 217. | N/A | Wren and Vikis, 1982 | Based on data from 208. to 227. K.; AC |
6.98 | 274. | EB | Boublík and Aim, 1972 | Based on data from 259. to 314. K. See also Kudchadker, Kudchadker, et al., 1979.; AC |
7.27 | 233. | N/A | Stull, 1947 | Based on data from 218. to 315. K.; AC |
6.74 | 288. | N/A | Ewert, 1936 | Based on data from 273. to 307. K.; AC |
6.790 | 315.8 | V | Thompson and Linnett, 1936 | ALS |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
218. to 315.6 | 4.1497 | 1177.78 | -32.058 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
315.6 to 521. | 4.14326 | 1223.831 | -20.179 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
273.3 to 307.6 | 5.13710 | 1755.986 | 26.111 | Thompson and Linnett, 1936 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
9.61 ± 0.1 | 191. | VG | Wren and Vikis, 1982 | Based on data from 176. to 227. K.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
2.18 | 206.8 | Wren and Vikis, 1982 | AC |
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, 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 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
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 |
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: HI + CH3I = CH4 + I2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -12.56 ± 0.13 | kcal/mol | Eqk | Golden, Walsh, et al., 1965 | gas phase; ALS |
ΔrH° | -12.67 ± 0.05 | kcal/mol | Eqk | Goy and Pritchard, 1965 | gas phase; ALS |
ΔrH° | -11.0 ± 1.3 | kcal/mol | Cm | Nichol and Ubbelohde, 1952 | gas phase; ALS |
C12H16Nb (cr) + 2 (cr) = C10H10I2Nb (cr) + 2
(l)
By formula: C12H16Nb (cr) + 2I2 (cr) = C10H10I2Nb (cr) + 2CH3I (l)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -57.91 ± 0.57 | kcal/mol | RSC | Diogo, Simoni, et al., 1993 | The difference between the enthalpies of formation of Nb(Cp)2(I)2 and Nb(Cp)2(Me)2 is calculated as -51.41 ± 0.62 kcal/mol; MS |
C14H22CoN5O4 (solution) + (solution) = C13H19CoIN5O4 (solution) +
(solution)
By formula: C14H22CoN5O4 (solution) + I2 (solution) = C13H19CoIN5O4 (solution) + CH3I (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -22.2 ± 0.60 | kcal/mol | RSC | Toscano, Seligson, et al., 1989 | solvent: Bromoform; The enthalpy of solution of Co(py)(dmg)2(Me)(cr) was measured as 2.61 kcal/mol Toscano, Seligson, et al., 1989; MS |
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 |
(cr) +
(solution) = CH3IMg (solution)
By formula: Mg (cr) + CH3I (solution) = CH3IMg (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -65.4 ± 0.2 | kcal/mol | RSC | Carson and Skinner, 1950 | solvent: Diethyl ether; It was assumed that MeI(l) has a negligible solution enthalpy in ether; MS |
CH2I- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 386.3 ± 4.9 | kcal/mol | G+TS | Ingemann and Nibbering, 1985 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 379.4 ± 4.8 | kcal/mol | IMRB | Ingemann and Nibbering, 1985 | gas phase; B |
By formula: C2H6Hg (l) + 2I2 (cr) = 2CH3I (l) + HgI2 (cr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -44.1 ± 0.2 | kcal/mol | RSC | Hartley, Pritchard, et al., 1950 | Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS |
(l) + 3
(cr) = GaI3 (cr) + 3
(l)
By formula: C3H9Ga (l) + 3I2 (cr) = GaI3 (cr) + 3CH3I (l)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -47.8 ± 2.0 | kcal/mol | RSC | Fowell and Mortimer, 1958 | Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS |
(l) + 2
(cr) = CH3GaI2 (cr) + 2
(l)
By formula: C3H9Ga (l) + 2I2 (cr) = CH3GaI2 (cr) + 2CH3I (l)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -37.9 ± 1.0 | kcal/mol | RSC | Fowell and Mortimer, 1958 | Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS |
C16H34P2Ru (solution) + (solution) = C16H33IP2Ru (solution) +
(solution)
By formula: C16H34P2Ru (solution) + CH3I (solution) = C16H33IP2Ru (solution) + CH4 (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -45.00 ± 0.69 | kcal/mol | RSC | Luo, Li, et al., 1995 | solvent: Tetrahydrofuran; MS |
C22H36Zr (solution) + 2 (solution) = C20H30I2Zr (solution) + 2
(solution)
By formula: C22H36Zr (solution) + 2I2 (solution) = C20H30I2Zr (solution) + 2CH3I (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -70.00 ± 0.60 | kcal/mol | RSC | Schock and Marks, 1988 | solvent: Toluene; MS |
C8H5MoNaO3 (solution) + (l) = C9H8MoO3 (solution) +
(cr)
By formula: C8H5MoNaO3 (solution) + CH3I (l) = C9H8MoO3 (solution) + INa (cr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -7.70 ± 0.31 | kcal/mol | RSC | Nolan, López de la Vega, et al., 1986 | solvent: Tetrahydrofuran; MS |
C12H16Zr (solution) + 2 (solution) = C10H10I2Zr (solution) + 2
(solution)
By formula: C12H16Zr (solution) + 2I2 (solution) = C10H10I2Zr (solution) + 2CH3I (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -69.60 ± 0.60 | kcal/mol | RSC | Schock and Marks, 1988 | solvent: Toluene; MS |
C22H36Hf (solution) + 2 (solution) = C20H30HfI2 (solution) + 2
(solution)
By formula: C22H36Hf (solution) + 2I2 (solution) = C20H30HfI2 (solution) + 2CH3I (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -63.41 ± 0.79 | kcal/mol | RSC | Schock and Marks, 1988 | solvent: Toluene; MS |
By formula: H2 + 2CH3I = 2CH4 + I2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -30.0 ± 0.6 | kcal/mol | Chyd | Carson, Carter, et al., 1961 | liquid phase; solvent: Ether; ALS |
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; 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, 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: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
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)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
0.14 | 4300. | M | N/A | |
0.35 | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. | |
0.19 | 3800. | M | N/A | |
0.18 | V | N/A | ||
0.17 | C | N/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, 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 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 ± 0.02 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 165.3 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 159.1 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
0.110 ± 0.020 | LPES | Kim, Kelley, et al., 1999 | B |
0.30 ± 0.20 | NBIE | Moutinho, Aten, et al., 1974 | Stated electron affinity is the Vertical Detachment Energy; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.54 ± 0.05 | EI | Holmes and Lossing, 1991 | LL |
9.54 | PE | Carlson, Gerard, et al., 1988 | LL |
10.86 | S | Baig, Connerade, et al., 1982 | LBLHLM |
9.54 | PE | Kimura, Katsumata, et al., 1981 | LLK |
9.538 | EQ | Lias and Ausloos, 1978 | LLK |
9.54 | PIPECO | Mintz and Baer, 1976 | LLK |
9.53 ± 0.01 | PI | Tsai, Baer, et al., 1975 | LLK |
9.538 | S | Hochmann, Templet, et al., 1975 | LLK |
9.54 | PE | Boschi and Salahub, 1974 | LLK |
9.48 ± 0.03 | EI | Johnstone and Mellon, 1972 | LLK |
9.538 | S | Boschi and Salahub, 1972 | LLK |
9.52 | PE | Brogli and Heilbronner, 1971 | LLK |
10.14 | PE | Brogli and Heilbronner, 1971 | LLK |
9.50 | PE | Ragle, Stenhouse, et al., 1970 | RDSH |
9.54 | PE | Potts, Lempka, et al., 1970 | RDSH |
9.534 ± 0.005 | TE | Baer, Peatman, et al., 1969 | RDSH |
9.538 ± 0.003 | S | Price, 1936 | RDSH |
9.53 | PE | Utsunomiya, Kobayashi, et al., 1980 | Vertical value; LLK |
9.9 | PE | Dromey and Peel, 1974 | Vertical value; LLK |
9.51 | PE | Uehara, Saito, et al., 1973 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CH+ | 21.2 ± 0.2 | ? | EI | Reed and Snedden, 1956 | RDSH |
CH2+ | 14.6 ± 0.2 | HI | EI | Tsuda and Hamill, 1964 | RDSH |
CH2I+ | 12.78 | H | EI | Holmes, Lossing, et al., 1988 | LL |
CH2I+ | 12.08 ± 0.09 | H | EI | Martin, Lampe, et al., 1966 | RDSH |
CH3+ | 12.18 | I | PI | Traeger and McLoughlin, 1981 | LLK |
CH3+ | 12.24 ± 0.01 | I | PIPECO | Mintz and Baer, 1976 | LLK |
CH3+ | 12.25 ± 0.03 | I | PI | Tsai, Baer, et al., 1975 | LLK |
CH3+ | 12.07 ± 0.07 | I | EI | Johnstone and Mellon, 1972 | LLK |
CH3+ | 12.260 ± 0.013 | I | PI | Nicholson, 1970 | RDSH |
CH3+ | 12.22 | I | EI | Lossing and Semeluk, 1970 | RDSH |
I+ | 12.9 ± 0.05 | CH3 | EI | Tsuda, Melton, et al., 1964 | RDSH |
De-protonation reactions
CH2I- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 386.3 ± 4.9 | kcal/mol | G+TS | Ingemann and Nibbering, 1985 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 379.4 ± 4.8 | kcal/mol | IMRB | Ingemann and Nibbering, 1985 | gas 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, 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 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 |
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, 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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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 |
Gas Chromatography
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), 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, 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), Gas Chromatography, 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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Goy and Pritchard, 1965
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Furuyama, Golden, et al., 1968
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Moutinho, Aten, et al., 1974
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Chemi-ionization in alkali-methylhalogen collisions,
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Ionization energies of homologous organic compounds and correlation with molecular size,
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Kinetic energy release distributions for the dissociation of internal energy selected CH3I+ and CD3I+ ions,
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The high resolution photoelectron spectra of some iodoalkanes, iodocycloalkanes, iodoalkenes, and fluoroiodohydrocarbons,
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Absolute heats of formation for gas phase cations,
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Riedo, Fritz, et al., 1976
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A tailor-made C87 hydrocarbon as a possible non-polar standard stationary phase for gas chromatography,
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Rohrschneider, L.,
Eine methode zur charakterisierung von gaschromatographischen trennflüssigkeiten,
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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, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy Cp,liquid Constant pressure heat capacity of liquid EA Electron affinity IE (evaluated) Recommended ionization energy T Temperature Tboil Boiling point Tfus Fusion (melting) point d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K 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 ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions ΔsubH Enthalpy of sublimation ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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