Methane, nitro-
- Formula: CH3NO2
- Molecular weight: 61.0400
- IUPAC Standard InChIKey: LYGJENNIWJXYER-UHFFFAOYSA-N
- CAS Registry Number: 75-52-5
- 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. - Other names: Nitromethane; Nitrocarbol; CH3NO2; Nitrometan; UN 1261; NM; NSC 428
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Reaction thermochemistry data
Go To: Top, Gas phase ion energetics 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 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. 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
CH2NO2- + =
By formula: CH2NO2- + H+ = CH3NO2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 358.0 ± 5.0 | kcal/mol | D-EA | Metz, Cyr, et al., 1991 | gas phase; B |
ΔrH° | 356.4 ± 2.2 | kcal/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrH° | 357.4 ± 2.9 | kcal/mol | G+TS | Cumming and Kebarle, 1978 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 349.7 ± 2.0 | kcal/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrG° | 350.7 ± 2.0 | kcal/mol | IMRE | Cumming and Kebarle, 1978 | gas phase; B |
ΔrG° | 350.7 ± 2.0 | kcal/mol | IMRE | MacKay and Bohme, 1978 | gas phase; EA: < NO2; B |
By formula: Cl- + CH3NO2 = (Cl- • CH3NO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.60 ± 0.60 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
ΔrH° | 16.70 ± 0.10 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B,M |
ΔrH° | 16.3 ± 3.0 | kcal/mol | IMRB | Riveros, Breda, et al., 1973 | gas phase; Anchored: Larson and McMahon, 1984; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.1 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.20 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
ΔrG° | 11.60 ± 0.10 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
By formula: (Cl- • CH3NO2) + CH3NO2 = (Cl- • 2CH3NO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.00 ± 0.50 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
ΔrH° | 13.10 ± 0.10 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.3 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.70 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
ΔrG° | 7.60 ± 0.30 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
By formula: NO2- + CH3NO2 = (NO2- • CH3NO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.50 ± 0.50 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
ΔrH° | 14.30 ± 0.10 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 15.5 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.80 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
ΔrG° | 9.70 ± 0.20 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
By formula: C6H7N+ + CH3NO2 = (C6H7N+ • CH3NO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.4 | 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 |
---|---|---|---|---|
8.2 | 343. | PHPMS | Meot-Ner (Mautner) and El-Shall, 1986 | gas phase; Entropy change calculated or estimated; M |
(CH3NO2- • ) +
= (CH3NO2- • 2
)
By formula: (CH3NO2- • CH3NO2) + CH3NO2 = (CH3NO2- • 2CH3NO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13. ± 35. | kcal/mol | N/A | Compton, Carman Jr., et al., 1996 | gas phase; shift in electron detachment from less solvated ion; B |
ΔrH° | 12.80 ± 0.30 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.90 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
By formula: CH6N+ + CH3NO2 = (CH6N+ • CH3NO2)
Bond type: Hydrogen bonds of the type NH+-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20.5 | kcal/mol | PHPMS | Meot-Ner, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.0 | cal/mol*K | PHPMS | Meot-Ner, 1984 | gas phase; M |
By formula: CH2NO2- + CH3NO2 = C2H5N2O4-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.90 ± 0.50 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.40 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
C3H9N3O6- + 3 = C4H12N4O8-
By formula: C3H9N3O6- + 3CH3NO2 = C4H12N4O8-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.40 ± 0.50 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.80 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
By formula: C2H5N2O4- + 2CH3NO2 = C3H8N3O6-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.30 ± 0.70 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.80 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
C3H8N3O6- + 3 = C4H11N4O8-
By formula: C3H8N3O6- + 3CH3NO2 = C4H11N4O8-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.60 ± 0.50 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.10 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
C4H11N4O8- + 4 = C5H14N5O10-
By formula: C4H11N4O8- + 4CH3NO2 = C5H14N5O10-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.40 ± 0.20 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.60 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
By formula: C2H6N2O6- + 2CH3NO2 = C3H9N3O8-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.90 ± 0.60 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.70 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
C4H12N4O8- + 4 = C5H15N5O10-
By formula: C4H12N4O8- + 4CH3NO2 = C5H15N5O10-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.40 ± 0.20 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.40 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
C3H9N3O8- + 3 = C4H12N4O10-
By formula: C3H9N3O8- + 3CH3NO2 = C4H12N4O10-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.50 ± 0.90 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.30 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
By formula: CH3N2O4- + 2CH3NO2 = C2H6N3O6-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.40 ± 0.50 | kcal/mol | N/A | Wincel, 2003 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.40 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
C2H6ClN2O4- + 3 = C3H9ClN3O6-
By formula: C2H6ClN2O4- + 3CH3NO2 = C3H9ClN3O6-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.10 ± 0.50 | kcal/mol | N/A | Wincel, 2003 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.70 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
By formula: C11H10+ + CH3NO2 = (C11H10+ • CH3NO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.2 | kcal/mol | PHPMS | El-Shall and Meot-Ner (Mautner), 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.3 | cal/mol*K | PHPMS | El-Shall and Meot-Ner (Mautner), 1987 | gas phase; M |
By formula: C2H6N3O6- + 3CH3NO2 = C3H9N4O8-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.30 ± 0.80 | kcal/mol | N/A | Wincel, 2003 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.30 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
C3H9N4O8- + 4 = C4H12N5O10-
By formula: C3H9N4O8- + 4CH3NO2 = C4H12N5O10-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.70 ± 0.30 | kcal/mol | N/A | Wincel, 2003 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.60 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
By formula: C5H10NO2+ + CH3NO2 = (C5H10NO2+ • CH3NO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.5 | kcal/mol | HPMS | Meot-Ner and Field, 1974 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.6 | cal/mol*K | HPMS | Meot-Ner and Field, 1974 | gas phase; M |
By formula: C5H12NO2+ + CH3NO2 = (C5H12NO2+ • CH3NO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.8 | kcal/mol | HPMS | Meot-Ner and Field, 1974 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.8 | cal/mol*K | HPMS | Meot-Ner and Field, 1974 | gas phase; M |
C3H9ClN3O6- + 4 = C4H12ClN4O8-
By formula: C3H9ClN3O6- + 4CH3NO2 = C4H12ClN4O8-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.6 ± 1.0 | kcal/mol | N/A | Wincel, 2003 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.70 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
C4H12N4O10- + 4 = C5H15N5O12-
By formula: C4H12N4O10- + 4CH3NO2 = C5H15N5O12-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.00 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.60 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
By formula: Li+ + CH3NO2 = (Li+ • CH3NO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 39.5 | kcal/mol | ICR | Staley and Beauchamp, 1975 | gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970; M |
By formula: CH3NO2- + CH3NO2 = (CH3NO2- • CH3NO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.20 ± 0.20 | kcal/mol | N/A | Compton, Carman Jr., et al., 1996 | gas phase; Shift in electron detachment from non-solvated ion; B |
+
= CH3BrNO2-
By formula: Br- + CH3NO2 = CH3BrNO2-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 9.6 ± 2.0 | kcal/mol | IMRE | Tanabe, Morgon, et al., 1996 | gas phase; Anchored to H2O..Br- of Hiraoka, Mizure, et al., 19882; B |
By formula: I- + CH3NO2 = (I- • CH3NO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.2 ± 1.0 | kcal/mol | TDAs | Caldwell, Masucci, et al., 1989 | gas phase; B,M |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry 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 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) | 11.08 ± 0.04 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 180.4 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 172.5 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
0.1720 ± 0.0060 | LPES | Adams, Schneider, et al., 2009 | B |
0.260 ± 0.080 | LPES | Compton, Carman Jr., et al., 1996 | dipole-bound state: 12±3 meV.; B |
0.01201 | N/A | Lecomte, Carles, et al., 2000 | Dipole-bound state; B |
0.500 ± 0.020 | ECD | Chen, Welk, et al., 1999 | Reanalysis of Chen and Wentworth, 1983; B |
0.49 ± 0.11 | IMRE | Grimsrud, Caldwell, et al., 1985 | ΔGea(423 K) = -12.1 kcal/mol; ΔSea (estimated) = +2.0 eu.; B |
0.451 ± 0.052 | ECD | Chen and Wentworth, 1983 | B |
0.44 ± 0.20 | NBIE | Compton, Reinhardt, et al., 1978 | B |
0.960 ± 0.010 | LPES | Goebbert, Pichugin, et al., 2009 | Stated electron affinity is the Vertical Detachment Energy; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
11.07 | PE | Pasa-Tolic, Klasine, et al., 1990 | LL |
11.1 ± 0.05 | PI | Lifshitz, Rejwan, et al., 1988 | LL |
10.7 | PE | Ogden, Shaw, et al., 1983 | LBLHLM |
11.12 | PE | Gilman, Hsieh, et al., 1983 | LBLHLM |
11.05 | PE | Katsumata, Shiromaru, et al., 1982 | LBLHLM |
11.28 ± 0.08 | EI | Allam, Migahed, et al., 1982 | LBLHLM |
11.28 | PE | Kimura, Katsumata, et al., 1981 | LLK |
11.1 | PE | Asbrink, Svensson, et al., 1981 | LLK |
11.28 ± 0.08 | EI | Allam, Migahed, et al., 1981 | LLK |
11.07 ± 0.01 | PE | Rabalais, 1972 | LLK |
11.040 ± 0.017 | PI | Nicholson, 1970 | RDSH |
11.23 ± 0.01 | PE | Dewar, Shanshal, et al., 1969 | RDSH |
11.130 ± 0.006 | PI | Nicholson, 1965 | RDSH |
11.08 ± 0.03 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
11.29 | PE | Bajic, Humski, et al., 1985 | Vertical value; LBLHLM |
11.47 | PE | Katsumata, Shiromaru, et al., 1982 | Vertical value; LBLHLM |
11.31 | PE | Kobayashi, 1978 | Vertical value; LLK |
11.8 | PE | Rao, 1975 | Vertical value; LLK |
11.29 | PE | Kobayashi and Nagakura, 1974 | Vertical value; LLK |
11.31 ± 0.015 | PE | Kobayashi and Nagakura, 1972 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C+ | 22.83 ± 0.05 | ? | EI | Kandel, 1955 | RDSH |
CH2NO2+ | 11.8 ± 0.1 | H | PI | Lifshitz, Rejwan, et al., 1988 | LL |
CH2NO2+ | 11.97 ± 0.02 | H | EI | Kandel, 1955 | RDSH |
CH3+ | 13.6 | NO2 | EI | Haney and Franklin, 1968 | RDSH |
CH3+ | 12.6 | NO2 | EI | Tsuda and Hamill, 1966 | RDSH |
CH3NO+ | 11.75 ± 0.05 | O | PI | Lifshitz, Rejwan, et al., 1988 | LL |
CH3NO+ | 11.95 | O | PIPECO | Gilman, Hsieh, et al., 1983 | LBLHLM |
NO+ | 11.75 ± 0.05 | CH3O | PI | Lifshitz, Rejwan, et al., 1988 | LL |
NO+ | 11.5 | CH3O | PE | Ogden, Shaw, et al., 1983 | LBLHLM |
NO+ | 11.76 | CH3O | PIPECO | Gilman, Hsieh, et al., 1983 | LBLHLM |
NO+ | 11.7 | CH3O | PIPECO | Niwa, Tajima, et al., 1981 | LLK |
NO+ | 11.75 ± 0.01 | ? | PI | Nicholson, 1970 | RDSH |
NO2+ | 12.1 ± 0.1 | CH3 | PI | Lifshitz, Rejwan, et al., 1988 | LL |
NO2+ | 11.97 | CH3 | PE | Ogden, Shaw, et al., 1983 | LBLHLM |
NO2+ | 12.1 | CH3 | PIPECO | Niwa, Tajima, et al., 1981 | LLK |
NO2+ | 13. ± 0. | CH3 | EI | Collin, 1959 | RDSH |
O+ | 14.50 ± 0.16 | ? | EI | Kandel, 1955 | RDSH |
De-protonation reactions
CH2NO2- + =
By formula: CH2NO2- + H+ = CH3NO2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 358.0 ± 5.0 | kcal/mol | D-EA | Metz, Cyr, et al., 1991 | gas phase; B |
ΔrH° | 356.4 ± 2.2 | kcal/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrH° | 357.4 ± 2.9 | kcal/mol | G+TS | Cumming and Kebarle, 1978 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 349.7 ± 2.0 | kcal/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrG° | 350.7 ± 2.0 | kcal/mol | IMRE | Cumming and Kebarle, 1978 | gas phase; B |
ΔrG° | 350.7 ± 2.0 | kcal/mol | IMRE | MacKay and Bohme, 1978 | gas phase; EA: < NO2; B |
Gas Chromatography
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, 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 |
---|---|---|---|---|---|
Capillary | HP-1 | 100. | 527.85 | Görgényi and Héberger, 2003 | N2; Column length: 30. m; Phase thickness: 3. μm |
Capillary | HP-1 | 110. | 528.16 | Görgényi and Héberger, 2003 | N2; Column length: 30. m; Phase thickness: 3. μm |
Capillary | HP-1 | 120. | 528.60 | Görgényi and Héberger, 2003 | N2; Column length: 30. m; Phase thickness: 3. μm |
Capillary | HP-1 | 20. | 531.15 | Görgényi and Héberger, 2003 | N2; Column length: 30. m; Phase thickness: 3. μm |
Capillary | HP-1 | 30. | 530.05 | Görgényi and Héberger, 2003 | N2; Column length: 30. m; Phase thickness: 3. μm |
Capillary | HP-1 | 40. | 529.26 | Görgényi and Héberger, 2003 | N2; Column length: 30. m; Phase thickness: 3. μm |
Capillary | HP-1 | 50. | 528.66 | Görgényi and Héberger, 2003 | N2; Column length: 30. m; Phase thickness: 3. μm |
Capillary | HP-1 | 60. | 528.15 | Görgényi and Héberger, 2003 | N2; Column length: 30. m; Phase thickness: 3. μm |
Capillary | HP-1 | 70. | 527.88 | Görgényi and Héberger, 2003 | N2; Column length: 30. m; Phase thickness: 3. μm |
Capillary | HP-1 | 80. | 527.75 | Görgényi and Héberger, 2003 | N2; Column length: 30. m; Phase thickness: 3. μm |
Capillary | HP-1 | 90. | 526.13 | Görgényi and Héberger, 2003 | N2; Column length: 30. m; Phase thickness: 3. μm |
Packed | OV-1 | 130. | 556. | Gurevich and Roshchina, 2003 | He or N2, Gas-Chrom Q |
Packed | Apolane | 100. | 500. | Castello and D'Amato, 1983 | He, Chromosorb G; Column length: 3. m |
Packed | Apolane | 200. | 500. | Castello and D'Amato, 1983 | He, Chromosorb G; Column length: 3. m |
Packed | SE-30 | 100. | 536. | Winskowski, 1983 | Gaschrom Q; Column length: 2. m |
Packed | SF-96 | 100. | 565. | Boneva and Dimov, 1979 | N2; Column length: 2. m |
Packed | SF-96 | 110. | 565. | Boneva and Dimov, 1979 | N2; Column length: 2. m |
Packed | SF-96 | 90. | 565. | Boneva and Dimov, 1979 | N2; Column length: 2. m |
Packed | Apiezon L | 150. | 512. | Brown, Chapman, et al., 1968 | N2, DCMS-treated Chromosorb W; Column length: 2.3 m |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SPB-1 | 543.6 | Castello, Timossi, et al., 1988 | N2; Column length: 60. m; Column diameter: 0.75 mm; Program: not specified |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | HP-Innowax | 100. | 1187.8 | Görgényi and Héberger, 2003 | Column length: 30. m; Phase thickness: 0.5 μm |
Capillary | HP-Innowax | 110. | 1188.5 | Görgényi and Héberger, 2003 | Column length: 30. m; Phase thickness: 0.5 μm |
Capillary | HP-Innowax | 120. | 1190.2 | Görgényi and Héberger, 2003 | Column length: 30. m; Phase thickness: 0.5 μm |
Capillary | HP-Innowax | 50. | 1178.5 | Görgényi and Héberger, 2003 | Column length: 30. m; Phase thickness: 0.5 μm |
Capillary | HP-Innowax | 60. | 1179.2 | Görgényi and Héberger, 2003 | Column length: 30. m; Phase thickness: 0.5 μm |
Capillary | HP-Innowax | 70. | 1180.6 | Görgényi and Héberger, 2003 | Column length: 30. m; Phase thickness: 0.5 μm |
Capillary | HP-Innowax | 80. | 1182.9 | Görgényi and Héberger, 2003 | Column length: 30. m; Phase thickness: 0.5 μm |
Capillary | HP-Innowax | 90. | 1184.7 | Görgényi and Héberger, 2003 | Column length: 30. m; Phase thickness: 0.5 μm |
Packed | Carbowax 20M | 75. | 1172. | Goebel, 1982 | N2, Kieselgur (60-100 mesh); Column length: 2. m |
Kovats' RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | PEG-20M | 1159. | Slizhov and Gavrilenko, 2001 | He; Column length: 10. m; Column diameter: 0.2 mm; Program: not specified |
Capillary | Supelcowax-10 | 1160.9 | Castello, Timossi, et al., 1988 | N2; Column length: 60. m; Column diameter: 0.75 mm; Program: not specified |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-101 | 531. | Zenkevich, 2005 | 25. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C |
Capillary | DB-1 | 521. | Habu, Flath, et al., 1985 | 3. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 0. C; Tend: 250. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Methyl Silicone | 487. | N/A | Program: not specified |
Capillary | SPB-1 | 526. | Flanagan, Streete, et al., 1997 | 60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C |
Capillary | Polydimethyl siloxanes | 531. | Zenkevich and Chupalov, 1996 | Program: not specified |
Capillary | DB-1 | 521. | Schuberth, 1994 | 30. m/0.25 mm/1. μm, He; Program: 40C (4min) => 10C/min => 200C => 50C/min => 250C |
Capillary | SPB-1 | 526. | 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 | 565. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 536. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1 | 565. | Ramsey and Flanagan, 1982 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1177. | Shimadzu, 2012 | 30. m/0.32 mm/0.50 μm, Helium, 4. K/min; Tstart: 40. C; Tend: 260. C |
Capillary | DB-Wax | 1177. | Shimadzu Corporation, 2003 | 30. m/0.32 mm/0.5 μm, He, 4. K/min; Tstart: 40. C; Tend: 260. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Carbowax 20M | 1154. | Ramsey and Flanagan, 1982 | Program: not specified |
References
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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MacKay and Bohme, 1978
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Dipole bound and valence state coupling in argon-solvated nitromethane anions,
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Unimolecular fragmentations of the nitromenthane cation,
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Ogden, Shaw, et al., 1983
Ogden, I.K.; Shaw, N.; Danby, C.J.; Powis, I.,
Competing dissociation channels of nitromethane and methyl nitrite ions and the role of electronic and internal modes of excitation,
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Gilman, Hsieh, et al., 1983
Gilman, J.P.; Hsieh, T.; Meisels, G.G.,
Competition between isomerization and fragmentation of gaseous ions. II. Nitromethane and methylnitrite ions,
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Katsumata, Shiromaru, et al., 1982
Katsumata, S.; Shiromaru, H.; Mitani, K.; Iwata, S.; Kimura, K.,
Photoelectron angular distribution and assignments of photoelectron spectra of nitrogen dioxide, nitromethane and nitrobenzene,
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Allam, Migahed, et al., 1982
Allam, S.H.; Migahed, M.D.; El-Khodary, A.,
Electron impact ionization and dissociation of deuterated and non-deuterated methanol, methyl cyanide, nitromethane and nitrobenzene,
Egypt. J. Phys., 1982, 13, 167. [all data]
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
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Asbrink, Svensson, et al., 1981
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Electron impact study of nitrobenzene and nitromethane,
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Rabalais, 1972
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Photoelectron spectroscopic investigation of the electronic structure of nitromethane and nitrobenzene,
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Nicholson, 1970
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Determination of bond dissociation energies from photoionization efficiency curves
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Calculated and observed ionization potentials gf nitroalkanes and of nitrous and nitric acids and esters. Extension of the MINDO method to nitrogen-oxygen compounds,
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Photoelectron spectra of substituted benzenes,
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Ionization efficiency measurements by the retarding potential difference method,
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Fragmentation of energy-selected nitromethane ions,
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Classification of the Polarity of porous polymer bead stationary phases by comparison with squalane and apolane standard liquid phases,
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Volatile components of Rooibos tea (Aspalathus linearis),
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Joint use of retention index and mass spectrum in postmortem tests for volatile organics by headspace capillary gas chromatography with ion-trap detection,
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Detection and identification of volatile substances by headspace capillary gas chromatography to aid the diagnosis of acute poisoning,
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. [all data]
Waggott and Davies, 1984
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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,
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. [all data]
Shimadzu, 2012
Shimadzu, Pharmaceutical Related,
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Shimadzu Corporation, 2003
Shimadzu Corporation,
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Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity IE (evaluated) Recommended ionization energy 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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