Acetone
- Formula: C3H6O
- Molecular weight: 58.0791
- IUPAC Standard InChIKey: CSCPPACGZOOCGX-UHFFFAOYSA-N
- CAS Registry Number: 67-64-1
- 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: 2-Propanone; β-Ketopropane; Dimethyl ketone; Dimethylformaldehyde; Methyl ketone; Propanone; Pyroacetic ether; (CH3)2CO; Dimethylketal; Ketone propane; Ketone, dimethyl-; Chevron acetone; Rcra waste number U002; UN 1090; Sasetone; Propan-2-one; NSC 135802
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Gas phase thermochemistry data
Go To: Top, Reaction thermochemistry data, 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -52.23 ± 0.14 | kcal/mol | Cm | Wiberg, Crocker, et al., 1991 | ALS |
ΔfH°gas | -51.90 ± 0.12 | kcal/mol | Cm | Chao and Zwolinski, 1976 | ALS |
ΔfH°gas | -51.99 ± 0.16 | kcal/mol | Eqk | Buckley and Herington, 1965 | ALS |
ΔfH°gas | -51.72 | kcal/mol | Cm | Pennington and Kobe, 1957 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°gas | -435.32 ± 0.20 | kcal/mol | Ccb | Miles and Hunt, 1941 | Corresponding ΔfHºgas = -51.78 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
12.36 | 100. | Chao J., 1986 | p=1 bar. Recommended values agree with results of statistical calculations [ Pennington R.E., 1957, Chao J., 1976] within 0.5-2.8 J/mol*K.; GT |
13.43 | 150. | ||
14.63 | 200. | ||
16.99 | 273.15 | ||
17.93 ± 0.026 | 298.15 | ||
18.00 | 300. | ||
22.00 | 400. | ||
25.832 | 500. | ||
29.207 | 600. | ||
32.130 | 700. | ||
34.656 | 800. | ||
36.843 | 900. | ||
38.740 | 1000. | ||
40.382 | 1100. | ||
41.807 | 1200. | ||
43.043 | 1300. | ||
44.116 | 1400. | ||
45.050 | 1500. |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
19.26 ± 0.19 | 332.6 | Chao J., 1976 | Experimental data [ Vilcu R., 1975] differ substantially from data selected here. Their correctness seems to be doubtful (see [ Kabo G.J., 1995]). Please also see Bennewitz K., 1938, Collins B.T., 1949, Pennington R.E., 1957.; GT |
19.35 ± 0.19 | 334. | ||
19.48 ± 0.038 | 338.2 | ||
19.92 ± 0.20 | 347.8 | ||
19.93 ± 0.20 | 348. | ||
20.80 ± 0.21 | 363. | ||
20.84 ± 0.041 | 371.2 | ||
20.92 ± 0.21 | 372.3 | ||
21.33 ± 0.21 | 378. | ||
21.95 ± 0.22 | 393. | ||
22.21 ± 0.045 | 405.2 | ||
22.51 ± 0.22 | 408. | ||
22.30 | 410. | ||
23.13 ± 0.46 | 422.6 | ||
23.76 ± 0.48 | 428. | ||
24.02 ± 0.48 | 438. | ||
23.58 ± 0.048 | 439.2 |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, 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
RCD - Robert C. Dunbar
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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.
Reactions 1 to 50
By formula: Cl- + C3H6O = (Cl- • C3H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14. ± 2. | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.2 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
ΔrS° | 19.6 | cal/mol*K | PHPMS | French, Ikuta, et al., 1982 | gas phase; M |
ΔrS° | 17.1 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
ΔrS° | 19.7 | cal/mol*K | N/A | Larson and McMahon, 1984 | gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.08 ± 0.20 | kcal/mol | TDAs | Bofdanov and McMahon, 2002 | gas phase; B |
ΔrG° | 7.30 | kcal/mol | TDAs | Hiraoka, Morise, et al., 1986 | gas phase; B |
ΔrG° | 8.80 ± 0.30 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
ΔrG° | 8.2 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
ΔrG° | 7.9 ± 2.0 | kcal/mol | TDAs | French, Ikuta, et al., 1982 | gas phase; B |
By formula: C3H7O+ + C3H6O = (C3H7O+ • C3H6O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 30.7 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1991 | gas phase; M |
ΔrH° | 30.0 | kcal/mol | PHPMS | Szulejko and McMahon, 1991 | gas phase; M |
ΔrH° | 29.6 | kcal/mol | PHPMS | Hiraoka and Takimoto, 1986 | gas phase; M |
ΔrH° | 31.5 | kcal/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
ΔrH° | 30.1 | kcal/mol | PHPMS | Lau, Saluja, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28.2 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Sieck, 1991 | gas phase; M |
ΔrS° | 30.6 | cal/mol*K | PHPMS | Szulejko and McMahon, 1991 | gas phase; M |
ΔrS° | 29.3 | cal/mol*K | PHPMS | Hiraoka and Takimoto, 1986 | gas phase; M |
ΔrS° | 30.9 | cal/mol*K | N/A | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
ΔrS° | 30.4 | cal/mol*K | PHPMS | Lau, Saluja, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 22.3 | kcal/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
By formula: C3H7O2+ + C3H6O = (C3H7O2+ • C3H6O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 30.0 | kcal/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.0 | cal/mol*K | N/A | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 21.4 | kcal/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
By formula: C4H9O+ + C3H6O = (C4H9O+ • C3H6O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 31.0 | kcal/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 30.6 | cal/mol*K | N/A | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 21.9 | kcal/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
By formula: C4H9O+ + C3H6O = (C4H9O+ • C3H6O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 29.4 | kcal/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.1 | cal/mol*K | N/A | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 20.7 | kcal/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
By formula: C5H11O+ + C3H6O = (C5H11O+ • C3H6O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 28.5 | kcal/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.0 | cal/mol*K | N/A | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 19.9 | kcal/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
C3H5O- + =
By formula: C3H5O- + H+ = C3H6O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 368.8 ± 2.1 | kcal/mol | D-EA | Brinkman, Berger, et al., 1993 | gas phase; B |
ΔrH° | 369.0 ± 2.1 | kcal/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrH° | 369.6 ± 2.6 | kcal/mol | G+TS | Cumming and Kebarle, 1978 | gas phase; B |
ΔrH° | 367.6 ± 1.8 | kcal/mol | EIAE | Muftakhov, Vasil'ev, et al., 1999 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 361.9 ± 2.0 | kcal/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrG° | 362.4 ± 2.0 | kcal/mol | IMRE | Cumming and Kebarle, 1978 | gas phase; B |
By formula: C3H9Si+ + C3H6O = (C3H9Si+ • C3H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 45.0 | kcal/mol | PHPMS | Wojtyniak and Stone, 1986 | gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.4 | cal/mol*K | N/A | Wojtyniak and Stone, 1986 | gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
31.2 | 468. | PHPMS | Wojtyniak and Stone, 1986 | gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M |
By formula: Na+ + C3H6O = (Na+ • C3H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 31.2 ± 1.0 | kcal/mol | CIDT | Armentrout and Rodgers, 2000 | RCD |
ΔrH° | 30.8 ± 0.5 | kcal/mol | HPMS | Hoyau, Norrman, et al., 1999 | See 96KLA/AND?; RCD |
ΔrH° | 24.4 | kcal/mol | CIDT | Klassen, Anderson, et al., 1996 | RCD |
ΔrH° | 33.4 ± 0.2 | kcal/mol | HPMS | Guo, Conklin, et al., 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21000. | cal/mol*K | HPMS | Hoyau, Norrman, et al., 1999 | See 96KLA/AND?; RCD |
ΔrS° | 26.1 | cal/mol*K | HPMS | Guo, Conklin, et al., 1989 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
24.1 | 298. | IMRE | McMahon and Ohanessian, 2000 | Anchor alanine=39.89; RCD |
By formula: (Cu+ • C3H6O) + C3H6O = (Cu+ • 2C3H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 50.2 ± 1.7 | kcal/mol | CIDT | Chu, 2002 | RCD |
ΔrH° | 15.5 | kcal/mol | HPMS | El-Shall, Schriver, et al., 1989 | gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | N/A | El-Shall, Schriver, et al., 1989 | gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.0 | kcal/mol | HPMS | El-Shall, Schriver, et al., 1989 | gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M |
By formula: Cu+ + C3H6O = (Cu+ • C3H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 47.5 ± 1.0 | kcal/mol | CIDT | Chu, 2002 | RCD |
ΔrH° | 14.9 | kcal/mol | HPMS | El-Shall, Schriver, et al., 1989 | gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | N/A | El-Shall, Schriver, et al., 1989 | gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.4 | kcal/mol | HPMS | El-Shall, Schriver, et al., 1989 | gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M |
By formula: H2O + C5H12O2 = 2CH4O + C3H6O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.86 ± 0.01 | kcal/mol | Cm | Wiberg, Morgan, et al., 1994 | liquid phase; ALS |
ΔrH° | 4.88 ± 0.01 | kcal/mol | Cm | Wiberg and Squires, 1979 | liquid phase; Heat of hydrolysis; ALS |
ΔrH° | 4.8836 ± 0.0067 | kcal/mol | Cm | Wiberg and Squires, 1979, 2 | liquid phase; solvent: Water; Hydrolysis; ALS |
ΔrH° | -3.95 ± 0.05 | kcal/mol | Cm | Stern and Dorer, 1962 | liquid phase; Reanalyzed by Cox and Pilcher, 1970, Original value = 3.69 ± 0.05 kcal/mol; Heat of hydrolysis; ALS |
By formula: C3H9Sn+ + C3H6O = (C3H9Sn+ • C3H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 37.4 | kcal/mol | PHPMS | Stone and Splinter, 1984 | gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 30.9 | cal/mol*K | N/A | Stone and Splinter, 1984 | gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 21.2 | kcal/mol | PHPMS | Stone and Splinter, 1984 | gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M |
By formula: (H4N+ • 4C3H6O) + C3H6O = (H4N+ • 5C3H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.1 | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1996 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.0 | cal/mol*K | N/A | Meot-Ner (Mautner), Sieck, et al., 1996 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.5 | 215. | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1996 | gas phase; Entropy change calculated or estimated; M |
By formula: CN- + C3H6O = (CN- • C3H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.7 ± 3.5 | kcal/mol | IMRE | Larson and McMahon, 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.5 | cal/mol*K | N/A | Larson and McMahon, 1987 | gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.0 ± 2.3 | kcal/mol | IMRE | Larson and McMahon, 1987 | gas phase; B,M |
By formula: (Cl- • 2C3H6O) + C3H6O = (Cl- • 3C3H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.4 ± 2.0 | kcal/mol | TDAs | Hiraoka, Takimoto, et al., 1986 | gas phase; Entropy estimated; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | N/A | Hiraoka, Takimoto, et al., 1986 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.8 ± 4.5 | kcal/mol | TDAs | Hiraoka, Takimoto, et al., 1986 | gas phase; Entropy estimated; B |
By formula: H2 + C3H6O = C3H8O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -16.43 ± 0.10 | kcal/mol | Cm | Wiberg, Crocker, et al., 1991 | liquid phase; ALS |
ΔrH° | -13.20 | kcal/mol | Eqk | Buckley and Herington, 1965 | gas phase; ALS |
ΔrH° | -13.24 ± 0.10 | kcal/mol | Chyd | Dolliver, Gresham, et al., 1938 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -13.4 ± 0.1 kcal/mol; At 355 °K; ALS |
By formula: C2H3O2- + C3H6O = (C2H3O2- • C3H6O)
Bond type: Hydrogen bonds of deprotonated acids to ketones/
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.7 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.9 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.1 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase; B |
By formula: (Cl- • C3H6O) + C3H6O = (Cl- • 2C3H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.5 ± 1.0 | kcal/mol | TDAs | Hiraoka, Takimoto, et al., 1986 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.3 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.4 ± 2.2 | kcal/mol | TDAs | Hiraoka, Takimoto, et al., 1986 | gas phase; B |
By formula: C6H5NO2- + C3H6O = (C6H5NO2- • C3H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.20 ± 0.20 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.3 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.40 ± 0.40 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
By formula: NO2- + C3H6O = (NO2- • C3H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.90 ± 0.10 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.9 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.20 ± 0.20 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
(CAS Reg. No. 15520-32-8 • 4294967295) + = CAS Reg. No. 15520-32-8
By formula: (CAS Reg. No. 15520-32-8 • 4294967295C3H6O) + C3H6O = CAS Reg. No. 15520-32-8
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 38.6 ± 1.0 | kcal/mol | N/A | Ramond, Davico, et al., 2000 | gas phase; B |
ΔrH° | 3.6 ± 2.2 | kcal/mol | Ther | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
By formula: C5H5- + C3H6O = (C5H5- • C3H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.5 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988, 2 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.8 | cal/mol*K | PHPMS | Meot-ner, 1988, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.0 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988, 2 | gas phase; B |
By formula: C4H4N- + C3H6O = (C4H4N- • C3H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.1 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988, 2 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.5 | cal/mol*K | PHPMS | Meot-ner, 1988, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.0 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988, 2 | gas phase; B |
By formula: (K+ • 2C3H6O) + C3H6O = (K+ • 3C3H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16. | kcal/mol | HPMS | Sunner, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24. | cal/mol*K | HPMS | Sunner, 1984 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
9.2 | 293. | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
By formula: (C3H7O+ • 2C3H6O) + C3H6O = (C3H7O+ • 3C3H6O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.5 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.0 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
By formula: (C3H7O+ • C3H6O) + C3H6O = (C3H7O+ • 2C3H6O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.2 | kcal/mol | PHPMS | Hiraoka, Morise, et al., 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.0 | cal/mol*K | PHPMS | Hiraoka, Morise, et al., 1986 | gas phase; M |
By formula: (C2H3O2- • C3H6O) + C3H6O = (C2H3O2- • 2C3H6O)
Bond type: Hydrogen bonds of deprotonated acids to ketones/
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.8 | kcal/mol | PHPMS | Meot-ner, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.9 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
By formula: CH6N+ + C3H6O = (CH6N+ • C3H6O)
Bond type: Hydrogen bonds of the type NH+-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 24.0 | kcal/mol | PHPMS | Meot-Ner, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.2 | cal/mol*K | PHPMS | Meot-Ner, 1984 | gas phase; M |
By formula: C3H5O- + C3H6O = (C3H5O- • C3H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | >25.90 | kcal/mol | IMRB | Sheldon and Bowie, 1983 | gas phase; MeOH..F- + Me2CO ->; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | >19.70 | kcal/mol | IMRB | Sheldon and Bowie, 1983 | gas phase; MeOH..F- + Me2CO ->; B |
By formula: (Al+ • C3H6O) + C3H6O = (Al+ • 2C3H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 28.3 | kcal/mol | HPMS | Bauschlicher, Bouchard, et al., 1991 | gas phase; laser desorption; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 30.7 | cal/mol*K | HPMS | Bauschlicher, Bouchard, et al., 1991 | gas phase; laser desorption; M |
By formula: NO- + C3H6O = (NO- • C3H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 41.0 | kcal/mol | ICR | Reents and Freiser, 1981 | gas phase; switching reaction,Thermochemical ladder(NO+)C2H5OH, Entropy change calculated or estimated; Farid and McMahon, 1978; M |
By formula: K+ + C3H6O = (K+ • C3H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 24.4 | kcal/mol | CIDT | Klassen, Anderson, et al., 1996 | RCD |
ΔrH° | 26. | kcal/mol | HPMS | Sunner, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24. | cal/mol*K | HPMS | Sunner, 1984 | gas phase; M |
By formula: (Na+ • 2C3H6O) + C3H6O = (Na+ • 3C3H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20.7 ± 0.2 | kcal/mol | HPMS | Guo, Conklin, et al., 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 30.0 | cal/mol*K | HPMS | Guo, Conklin, et al., 1989 | gas phase; M |
By formula: (Na+ • 3C3H6O) + C3H6O = (Na+ • 4C3H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.7 ± 0.2 | kcal/mol | HPMS | Guo, Conklin, et al., 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.3 | cal/mol*K | HPMS | Guo, Conklin, et al., 1989 | gas phase; M |
By formula: (Na+ • C3H6O) + C3H6O = (Na+ • 2C3H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 25.2 ± 0.1 | kcal/mol | HPMS | Guo, Conklin, et al., 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.6 | cal/mol*K | HPMS | Guo, Conklin, et al., 1989 | gas phase; M |
By formula: (H4N+ • 2C3H6O) + C3H6O = (H4N+ • 3C3H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.8 | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.0 | cal/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1996 | gas phase; M |
By formula: (H4N+ • 3C3H6O) + C3H6O = (H4N+ • 4C3H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.1 | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.4 | cal/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1996 | gas phase; M |
By formula: (H4N+ • C3H6O) + C3H6O = (H4N+ • 2C3H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20.3 | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.9 | cal/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1996 | gas phase; M |
By formula: (C4H4N- • C3H6O) + C3H6O = (C4H4N- • 2C3H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.7 | kcal/mol | PHPMS | Meot-ner, 1988, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.0 | cal/mol*K | PHPMS | Meot-ner, 1988, 2 | gas phase; M |
By formula: (C5H5- • C3H6O) + C3H6O = (C5H5- • 2C3H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.8 | kcal/mol | PHPMS | Meot-ner, 1988, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 16.4 | cal/mol*K | PHPMS | Meot-ner, 1988, 2 | gas phase; M |
By formula: H4N+ + C3H6O = (H4N+ • C3H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 28.3 | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.4 | cal/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1996 | gas phase; M |
By formula: Li+ + C3H6O = (Li+ • C3H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 44.5 | kcal/mol | ICR | Staley and Beauchamp, 1975 | gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M |
By formula: C2H7OS+ + C3H6O = (C2H7OS+ • C3H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 24.1 | kcal/mol | PHPMS | Lau, Saluja, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.5 | cal/mol*K | PHPMS | Lau, Saluja, et al., 1980 | gas phase; M |
By formula: (K+ • C3H6O) + C3H6O = (K+ • 2C3H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21. | kcal/mol | HPMS | Sunner, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26. | cal/mol*K | HPMS | Sunner, 1984 | gas phase; M |
By formula: C3H8O = H2 + C3H6O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.20 | kcal/mol | Eqk | Buckley and Herington, 1965 | gas phase; ALS |
ΔrH° | 13.514 | kcal/mol | Eqk | Kolb and Burwell, 1945 | gas phase; ALS |
By formula: Mg+ + C3H6O = (Mg+ • C3H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 67. ± 5. | kcal/mol | ICR | Operti, Tews, et al., 1988 | gas phase; switching reaction,Thermochemical ladder(Mg+)CH3OH; M |
By formula: HBr + C3H5BrO = C3H6O + Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.4 ± 2.0 | kcal/mol | Eqk | King, Golden, et al., 1971 | gas phase; Heat of bromination at 516-618 K; ALS |
By formula: C2H2Cl2OS + C3H6O = C5H8Cl2O2S
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -6.5 ± 0.1 | kcal/mol | Eqk | Horii, Kawamura, et al., 1972 | liquid phase; solvent: CD3COCD3; NMR; ALS |
By formula: C2H4OS + C3H6O = C5H10O2S
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -6.5 ± 0.2 | kcal/mol | Eqk | Horii, Kawamura, et al., 1972 | liquid phase; solvent: CD3COCD3; NMR; ALS |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, 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
MM - Michael M. Meot-Ner (Mautner)
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
View reactions leading to C3H6O+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 9.703 ± 0.006 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 194. | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 186.9 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
0.00152 | EFD | Desfrancois, Abdoul-Carime, et al., 1994 | EA: 1.5 meV. Dipole-bound state.; B |
Proton affinity at 298K
Proton affinity (kcal/mol) | Reference | Comment |
---|---|---|
>194.8 | Bouchoux, Buisson, et al., 2003 | MM |
>194.6 | Bouchoux, Buisson, et al., 2003 | MM |
>194.2 ± 0.05 | Bouchoux, Buisson, et al., 2003 | MM |
194.0 ± 0.81 | Bouchoux and Salpin, 1999 | T = 301K; Re-evaluated thermokinetic parametric fitting by the authors using reference base GBs and PAs from Hunter and Lias, 1998; MM |
194.0 ± 0.81 | Bouchoux and Salpin, 1999 | T = 298K; MM |
Gas basicity at 298K
Gas basicity (review) (kcal/mol) | Reference | Comment |
---|---|---|
187.5 | Bouchoux, Buisson, et al., 2003 | MM |
187.0 | Bouchoux, Buisson, et al., 2003 | MM |
186.9 ± 0.05 | Bouchoux, Buisson, et al., 2003 | MM |
186.9 ± 0.36 | Bouchoux and Salpin, 1999 | T = 301K; Re-evaluated thermokinetic parametric fitting by the authors using reference base GBs and PAs from Hunter and Lias, 1998; MM |
186.9 ± 0.36 | Bouchoux and Salpin, 1999 | T = 298K; MM |
Ionization energy determinations
Appearance energy determinations
De-protonation reactions
C3H5O- + =
By formula: C3H5O- + H+ = C3H6O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 368.8 ± 2.1 | kcal/mol | D-EA | Brinkman, Berger, et al., 1993 | gas phase; B |
ΔrH° | 369.0 ± 2.1 | kcal/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrH° | 369.6 ± 2.6 | kcal/mol | G+TS | Cumming and Kebarle, 1978 | gas phase; B |
ΔrH° | 367.6 ± 1.8 | kcal/mol | EIAE | Muftakhov, Vasil'ev, et al., 1999 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 361.9 ± 2.0 | kcal/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrG° | 362.4 ± 2.0 | kcal/mol | IMRE | Cumming and Kebarle, 1978 | gas phase; B |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, 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 | 110. | 470.23 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
Capillary | HP-1 | 20. | 470.9 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
Capillary | HP-1 | 30. | 470.7 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
Capillary | HP-1 | 40. | 470.1 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
Capillary | HP-1 | 50. | 469.67 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
Capillary | HP-1 | 60. | 469.5 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
Capillary | HP-1 | 70. | 469.28 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
Capillary | HP-1 | 90. | 469.41 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
Capillary | HP-1 | 110. | 470. | Héberger and Görgényi, 1999 | 50. m/0.32 mm/1.05 μm, N2 |
Capillary | HP-1 | 50. | 470. | Héberger and Görgényi, 1999 | 50. m/0.32 mm/1.05 μm, N2 |
Capillary | HP-1 | 70. | 469. | Héberger and Görgényi, 1999 | 50. m/0.32 mm/1.05 μm, N2 |
Capillary | HP-1 | 90. | 469. | Héberger and Görgényi, 1999 | 50. m/0.32 mm/1.05 μm, N2 |
Capillary | SE-30 | 100. | 481. | Golovnya, Syomina, et al., 1997 | 25. m/0.32 mm/1. μm, He |
Capillary | SE-30 | 110. | 484. | Golovnya, Syomina, et al., 1997 | 25. m/0.32 mm/1. μm, He |
Capillary | SE-30 | 80. | 477. | Golovnya, Syomina, et al., 1997 | 25. m/0.32 mm/1. μm, He |
Capillary | SE-30 | 90. | 478. | Golovnya, Syomina, et al., 1997 | 25. m/0.32 mm/1. μm, He |
Capillary | SE-54 | 110. | 488.7 | Grigor'eva, Vasil'ev, et al., 1989 | 15. m/0.28 mm/2.5 μm, Ar |
Capillary | SE-54 | 130. | 488.2 | Grigor'eva, Vasil'ev, et al., 1989 | 15. m/0.28 mm/2.5 μm, Ar |
Capillary | SE-54 | 150. | 485.0 | Grigor'eva, Vasil'ev, et al., 1989 | 15. m/0.28 mm/2.5 μm, Ar |
Capillary | Apiezon L + KF | 60. | 497. | Svetlova, Samusenko, et al., 1986 | 30. m/0.25 mm/0.06 μm |
Packed | SE-30 | 100. | 475. | Winskowski, 1983 | Gaschrom Q; Column length: 2. m |
Packed | Squalane | 50. | 437. | Becerra, Sánchez, et al., 1982 | N2, Chromosorb W-AM; Column length: 6. m |
Packed | Squalane | 50. | 437. | Becerra, Sánchez, et al., 1982 | N2, Chromosorb W-AM; Column length: 6. m |
Packed | Porapack Q | 200. | 450. | Goebel, 1982 | N2 |
Packed | Squalane | 100. | 443.5 | Gröbler and Bálizs, 1979 | Column length: 1. m |
Packed | SE-30 | 150. | 465. | Haken, Nguyen, et al., 1979 | Celatom AW silanized; Column length: 3.7 m |
Packed | Apiezon L | 120. | 441. | Bogoslovsky, Anvaer, et al., 1978 | Celite 545 |
Packed | Apiezon L | 160. | 444. | Bogoslovsky, Anvaer, et al., 1978 | Celite 545 |
Packed | Apiezon L | 70. | 439. | Bogoslovsky, Anvaer, et al., 1978 | |
Packed | SE-30 | 150. | 459. | Haken, Ho, et al., 1975 | Column length: 3.7 m |
Packed | Apiezon L | 100. | 443. | Brown, Chapman, et al., 1968 | N2, DCMS-treated Chromosorb W; Column length: 2.3 m |
Packed | DC-200 | 100. | 472. | Rohrschneider, 1966 | Column length: 4. m |
Packed | Apiezon L | 100. | 450. | Rohrschneider, 1966 | Column length: 5. m |
Packed | SE-30 | 80. | 475. | Viani, Müggler-Chavan, et al., 1965 | He, Chromosorb P; Column length: 6. m |
Packed | Apiezon L | 130. | 450. | Wehrli and Kováts, 1959 | Celite; Column length: 2.25 m |
Packed | Apiezon L | 70. | 447. | Wehrli and Kováts, 1959 | Celite; Column length: 2.25 m |
Packed | Apiezon L | 70. | 439. | von Kováts, 1958 | Celite (40:60 Gewichtsverhaltnis) |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SE-54 | 503. | Rembold, Wallner, et al., 1989 | 30. m/0.25 mm/0.25 μm, He, 0. C @ 12. min, 12. K/min; Tend: 250. C |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Petrocol DH-100 | 477.55 | Haagen-Smit Laboratory, 1997 | He; Column length: 100. m; Column diameter: 0.2 mm; Program: 5C(10min) => 5C/min => 50C(48min) => 1.5C/min => 195C(91min) |
Packed | SE-30 | 510. | Minyard, Tumlinson, et al., 1967 | He, Chromasorb W; Column length: 6.1 m; Program: 150C (10min) => 15C/min => 200C(16min) => 10C/min => 240C |
Packed | Apiezon L | 470. | Minyard, Tumlinson, et al., 1967 | N2, Gas Chrom P; Column length: 3.0 m; Program: not specified |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | HP-Innowax | 110. | 843.5 | Héberger and Görgényi, 1999 | 30. m/0.32 mm/0.5 μm |
Capillary | HP-Innowax | 50. | 835.0 | Héberger and Görgényi, 1999 | 30. m/0.32 mm/0.5 μm |
Capillary | HP-Innowax | 70. | 837.5 | Héberger and Görgényi, 1999 | 30. m/0.32 mm/0.5 μm |
Capillary | HP-Innowax | 90. | 840.8 | Héberger and Görgényi, 1999 | 30. m/0.32 mm/0.5 μm |
Capillary | Supelcowax-10 | 60. | 832. | Castello, Vezzani, et al., 1991 | N2; Column length: 60. m; Column diameter: 0.75 mm |
Packed | Carbowax 20M | 75. | 847. | Goebel, 1982 | N2, Kieselgur (60-100 mesh); Column length: 2. m |
Packed | Carbowax 20M | 100. | 785. | Kevei and Kozma, 1976 | Chromosorb |
Packed | Carbowax 4000 | 105. | 842. | Minyard, Tumlinson, et al., 1967 | N2, GAS Chrom P; Column length: 10. m |
Packed | Carbowax 20M | 100. | 824. | Rohrschneider, 1966 | Column length: 2. m |
Kovats' RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CBP-20 | 821. | Shimadzu, 2003 | 25. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 200. C |
Capillary | DB-Wax | 813. | Umano, Hagi, et al., 1994 | He, 40. C @ 2. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C |
Capillary | DB-Wax | 814. | Tatsuka, Suekane, et al., 1990 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min; Tend: 200. C |
Capillary | DB-Wax | 814. | Tatsuka, Suekane, et al., 1990 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min; Tend: 200. C |
Capillary | DB-Wax | 814. | Tatsuka, Suekane, et al., 1990 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min; Tend: 200. C |
Capillary | Carbowax 20M | 820. | Nishimura, Yamaguchi, et al., 1989 | 2. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C |
Capillary | DB-Wax | 818. | Umano, Shoji, et al., 1986 | N2, 60. C @ 10. min, 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 200. C |
Kovats' RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | PEG-20M | 794. | Slizhov and Gavrilenko, 2001 | He; Column length: 10. m; Column diameter: 0.2 mm; Program: not specified |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 503. | Insausti, Goñi, et al., 2005 | 50. m/0.32 mm/1.05 μm, He, 35. C @ 15. min, 8. K/min, 220. C @ 5. min |
Capillary | CP-Sil 8CB-MS | 500. | Bruna, Hierro, et al., 2003 | 60. m/0.25 mm/0.25 μm, 40. C @ 2. min, 4. K/min, 280. C @ 5. min |
Capillary | Petrocol DH | 475.3 | Censullo, Jones, et al., 2003 | 50. m/0.25 mm/0.5 μm, He, 35. C @ 10. min, 3. K/min, 200. C @ 10. min |
Capillary | CP Sil 5 CB | 481. | Pino, Almora, et al., 2003 | 60. m/0.32 mm/0.25 μm, He, 60. C @ 10. min, 3. K/min, 280. C @ 60. min |
Capillary | CP Sil 5 CB | 481. | Pino, Marbot, et al., 2002 | 30. m/0.25 mm/0.25 μm, H2, 60. C @ 10. min, 2. K/min, 280. C @ 40. min |
Capillary | CP Sil 8 CB | 500. | Elmore, Mottram, et al., 2000 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 280. C |
Capillary | DB-1 | 488.6 | Helmig, Klinger, et al., 1999 | 60. m/0.32 mm/1. μm, -50. C @ 2. min, 6. K/min; Tend: 175. C |
Capillary | DB-1 | 471. | Bartelt, 1997 | 30. m/0.32 mm/5. μm, He, 35. C @ 1. min, 10. K/min; Tend: 270. C |
Capillary | DB-1 | 474. | Helmig, Pollock, et al., 1996 | 30. m/0.25 mm/1. μm, 6. K/min; Tstart: -50. C; Tend: 180. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-1 | 468. | Place, Imhof, et al., 2003 | 60. m/0.32 mm/1. μm, He; Program: 35C(5min) => 10C/min => 45C (5min) => 5C/min => 250C (10min) |
Packed | SE-30 | 466. | Peng, Ding, et al., 1988 | Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 809. | Mahattanatawee K., Perez-Cacho P.R., et al., 2007 | 30. m/0.32 mm/0.5 μm, He, 7. K/min, 240. C @ 5. min; Tstart: 40. C |
Capillary | CP-Wax 52CB | 813. | Alasalvar, Taylor, et al., 2005 | 60. m/0.25 mm/0.25 μm, 35. C @ 4. min, 3. K/min; Tend: 203. C |
Capillary | DB-Wax | 834. | Malliaa, Fernandez-Garcia, et al., 2005 | 60. m/0.32 mm/1. μm, He, 45. C @ 1. min, 5. K/min, 250. C @ 12. min |
Capillary | DB-Wax | 842. | Malliaa, Fernandez-Garcia, et al., 2005 | 60. m/0.32 mm/1. μm, He, 45. C @ 1. min, 5. K/min, 250. C @ 12. min |
Capillary | DB-Wax | 814. | Rega, Fournier, et al., 2004 | 30. m/0.32 mm/0.5 μm, He, 40. C @ 5. min, 5. K/min; Tend: 240. C |
Capillary | Carbowax | 821.3 | Censullo, Jones, et al., 2003 | 60. m/0.25 mm/0.5 μm, He, 50. C @ 10. min, 5. K/min, 250. C @ 10. min |
Capillary | DB-Wax | 814. | Rega, Fournier, et al., 2003 | 30. m/0.32 mm/0.5 μm, 35. C @ 5. min, 5. K/min, 240. C @ 5. min |
Capillary | FFAP | 802. | Ott, Fay, et al., 1997 | 30. m/0.25 mm/0.25 μm, He, 20. C @ 1. min, 4. K/min, 200. C @ 1. min |
Capillary | Supelcowax-10 | 813. | Chung and Cadwallader, 1993 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 195. C @ 40. min |
Capillary | DB-Wax | 818. | Umano, Hagi, et al., 1992 | He, 40. C @ 10. min, 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 200. C |
Capillary | Carbowax 20M | 811. | Chen and Ho, 1988 | He, 1.5 K/min, 225. C @ 80. min; Column length: 60. m; Column diameter: 0.32 mm; Tstart: 50. C |
Capillary | Carbowax 20M | 816. | Chen, Kuo, et al., 1982 | He, 50. C @ 10. min, 1. K/min; Tend: 160. C |
Packed | Carbowax 20M | 822. | van den Dool and Kratz, 1963 | Celite 545, 4.6 K/min; Tstart: 75. C; Tend: 228. C |
Van Den Dool and Kratz RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Supelcowax-10 | 813. | Bianchi, Cantoni, et al., 2007 | 30. m/0.25 mm/0.25 μm; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 220C(1min) |
Capillary | Supelcowax-10 | 814. | Bianchi, Careri, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) |
Capillary | Supelcowax-10 | 819. | Bianchi, Careri, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) |
Capillary | Supelcowax-10 | 813. | Bianchi, Careri, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) |
Capillary | Supelcowax-10 | 812. | Bianchi, Careri, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) |
Capillary | CP-Wax 52CB | 830. | Verzera, Ziino, et al., 2004 | 60. m/0.25 mm/0.25 μm, He; Program: 45C(5min) => 10C/min => 80C => 2C/min => 240C |
Capillary | DB-Wax | 808. | Radovic, Careri, et al., 2001 | 30. m/0.25 mm/0.25 μm; Program: 30C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) |
Capillary | FFAP | 808. | Yasuhara, 1987 | 50. m/0.25 mm/0.25 μm, He; Program: 20C (5min) => 2C/min => 70C => 4C/min => 210C |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Methyl Silicone | 100. | 471. | Lebrón-Aguilar, Quintanilla-López, et al., 2007 | |
Capillary | Methyl Silicone | 120. | 480. | Lebrón-Aguilar, Quintanilla-López, et al., 2007 | |
Capillary | Methyl Silicone | 140. | 472. | Lebrón-Aguilar, Quintanilla-López, et al., 2007 | |
Capillary | Methyl Silicone | 80. | 473. | Lebrón-Aguilar, Quintanilla-López, et al., 2007 | |
Capillary | DB-1 | 60. | 472. | Shimadzu, 2003, 2 | 60. m/0.32 mm/1. μm, He |
Capillary | OV-1 | 60. | 470. | Amboni, Junkes, et al., 2002 | |
Packed | Synachrom | 150. | 466. | Dufka, Malinsky, et al., 1971 | Helium, Synachrom (60-80 mesh); Column length: 1.5 m |
Packed | Synachrom | 150. | 468. | Dufka, Malinsky, et al., 1971 | Helium, Synachrom (60-80 mesh); Column length: 1.5 m |
Packed | DC-400 | 150. | 466. | Anderson, 1968 | Helium, Gas-Pak (60-80 mesh); Column length: 3.0 m |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polydimethyl siloxane: CP-Sil 5 CB | 479. | Bramston-Cook, 2013 | 60. m/0.25 mm/1.0 μm, Helium, 45. C @ 1.45 min, 3.6 K/min, 210. C @ 2.72 min |
Capillary | HP-5 MS | 500. | Kotowska, Zalikowski, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium, 35. C @ 5. min, 3. K/min, 300. C @ 15. min |
Capillary | VF-5 MS | 496. | Leffingwell and Alford, 2011 | 60. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C |
Capillary | VF-5 MS | 496. | Leffingwell and Alford, 2011 | 60. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C |
Capillary | OV-101 | 472. | Zenkevich, Eliseenkov, et al., 2011 | 25. m/0.20 mm/0.25 μm, Nitrogen, 6. K/min; Tstart: 40. C; Tend: 240. C |
Capillary | 5 % Phenyl methyl siloxane | 502. | Ramirez R. and Cava R., 2007 | 30. m/0.25 mm/1. μm, He, 40. C @ 10. min, 7. K/min, 250. C @ 5. min |
Capillary | 5 % Phenyl methyl siloxane | 502. | Ramirez R. and Cava R., 2007 | 30. m/0.25 mm/1. μm, He, 40. C @ 10. min, 7. K/min, 250. C @ 5. min |
Capillary | HP-5 | 487. | Isidorov, Purzynska, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 3. K/min; Tend: 200. C |
Capillary | HP-5 | 476.6 | Leffingwell and Alford, 2005 | 60. m/0.32 mm/0.25 μm, He, 30. C @ 2. min, 2. K/min, 260. C @ 28. min |
Capillary | 5 % Phenyl methyl siloxane | 503. | Ramírez, Estévez, et al., 2004 | 0. m/0.25 mm/1. μm, He, 40. C @ 10. min, 7. K/min, 250. C @ 5. min |
Capillary | DB-5 | 500. | Joffraud, Leroi, et al., 2001 | 60. m/0.32 mm/1. μm, He, 40. C @ 5. min, 3. K/min; Tend: 200. C |
Capillary | BP-1 | 487. | Health Safety Executive, 2000 | 50. m/0.22 mm/0.75 μm, He, 5. K/min; Tstart: 50. C; Tend: 200. C |
Capillary | SE-30+Igepal | 474. | Shibamoto and Jennings, 1977 | 1. K/min; Column length: 100. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 170. C |
Capillary | SE-30+Igepal | 474. | Shibamoto and Jennings, 1977 | 1. K/min; Column length: 100. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 170. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 MS | 500. | Kotowska, Zalikowski, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | DB-5 | 509. | Miyazaki, Plotto, et al., 2011 | 60. m/0.25 mm/1.00 μm, Helium; Program: 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min) |
Capillary | HP-5 | 512. | Pugliese, Sirtori, et al., 2009 | 50. m/0.32 mm/1.05 μm, Helium; Program: not specified |
Capillary | Squalane | 459. | Chen, 2008 | Program: not specified |
Capillary | SLB-5MS | 471. | Risticevic, Carasek, et al., 2008 | 10. m/0.18 mm/0.18 μm, Helium; Program: not specified |
Capillary | Methyl Silicone | 450. | Chen and Feng, 2007 | Program: not specified |
Capillary | Methyl Silicone | 476. | Blunden, Aneja, et al., 2005 | 60. m/0.32 mm/1.0 μm, Helium; Program: -50 0C (2 min) 8 0C/min -> 200 0C (7.75 min) 25 0C -> 225 0C (8 min) |
Capillary | BPX-5 | 501. | Duflos, Moine, et al., 2005 | 60. m/0.25 mm/0.25 μm, He; Program: 40C(5min) => 5C/min => 100C => 20C/min => 280C (5min) |
Capillary | HP-1 | 470. | Junkes, Amboni, et al., 2004 | Program: not specified |
Capillary | Polydimethyl siloxane | 470. | Junkes, Castanho, et al., 2003 | Program: not specified |
Capillary | Methyl Silicone | 450. | N/A | Program: not specified |
Capillary | Polydimethyl siloxane | 497. | Spanier, Shahidi, et al., 2001 | Program: not specified |
Capillary | Polydimethyl siloxanes | 472. | Zenkevich, 2001 | Program: not specified |
Capillary | DB-5 | 500. | Dittmann and Nitz, 2000 | Program: not specified |
Capillary | SPB-1 | 460. | 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 | 473. | Zenkevich and Chupalov, 1996 | Program: not specified |
Capillary | Polydimethyl siloxanes | 473. | Zenkevich and Chupalov, 1996 | Program: not specified |
Capillary | Methyl Silicone | 473. | Zenkevich, Korolenko, et al., 1995 | Program: not specified |
Capillary | DB-1 | 465. | Schuberth, 1994 | 30. m/0.25 mm/1. μm, He; Program: 40C (4min) => 10C/min => 200C => 50C/min => 250C |
Capillary | SPB-1 | 460. | 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 | 469. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: not specified |
Capillary | CP Sil 8 CB | 491. | Weller and Wolf, 1989 | 40. m/0.25 mm/0.25 μm, He; Program: 30 0C (1 min) 15 0C/min -> 45 0C 3 0C/min -> 120 0C |
Capillary | methyl silicone oil with 5% Igepal | 474. | Schultz, Flath, et al., 1988 | Column length: 150. m; Column diameter: 0.75 mm; Program: not specified |
Capillary | methyl silicone oil with 5% Igepal | 484. | Schultz, Flath, et al., 1988 | Column length: 150. m; Column diameter: 0.75 mm; Program: not specified |
Capillary | DB-1 | 468. | Takeoka, Flath, et al., 1988 | 30. m/0.25 mm/0.25 μm, H2; Program: 30C (2min) => 2C/min => 150C => 4C/min => 250C |
Capillary | OV-1 | 469. | Ramsey and Flanagan, 1982 | Program: not specified |
Capillary | SE-30 | 478. | Heydanek and McGorrin, 1981 | He; Column length: 50. m; Column diameter: 0.5 mm; Program: -10C (8min) => 12C/min => 26C => 3C/min => 170C (30min) |
Normal alkane RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | DB-Wax | 60. | 834. | Shimadzu, 2003, 2 | 50. m/0.32 mm/1. μm, He |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-FFAP | 832. | Wanakhachornkrai and Lertsiri, 9999 | 25. m/0.32 mm/0.50 μm, Helium, 15. K/min; Tstart: 45. C; Tend: 220. C |
Capillary | HP-Innowax | 841. | Feng, Zhuang, et al., 2011 | 60. m/0.25 mm/0.25 μm, Helium, 60. C @ 1. min, 3. K/min, 220. C @ 5. min |
Capillary | DB-Wax | 821. | Ganeko, Shoda, et al., 2008 | 4. K/min; Column length: 60. m; Column diameter: 0.35 mm; Tstart: 40. C; Tend: 200. C |
Capillary | CP-Wax 52CB | 812. | Povolo, Contarini, et al., 2007 | 60. m/0.32 mm/0.5 μm, He, 40. C @ 8. min, 4. K/min, 220. C @ 20. min |
Capillary | CP-Wax 52CB | 811. | Povolo, Contarini, et al., 2007 | 60. m/0.32 mm/0.5 μm, He, 40. C @ 8. min, 4. K/min, 220. C @ 20. min |
Capillary | CP-Wax 52CB | 823. | Povolo, Contarini, et al., 2007 | 60. m/0.32 mm/0.5 μm, He, 40. C @ 8. min, 4. K/min, 220. C @ 20. min |
Capillary | CP-Wax 52CB | 820. | Povolo, Contarini, et al., 2007 | 60. m/0.32 mm/0.5 μm, He, 40. C @ 8. min, 4. K/min, 220. C @ 20. min |
Capillary | DB-Wax | 810. | Rizzolo, Cambiaghi, et al., 2005 | 60. m/0.53 mm/1. μm, 50. C @ 10. min, 3. K/min; Tend: 180. C |
Capillary | Supelcowax-10 | 827. | Rochat and Chaintreau, 2005 | 60. m/0.53 mm/1. μm, He, 40. C @ 2. min, 4. K/min, 240. C @ 20. min |
Capillary | Supelcowax-10 | 827. | Rochat and Chaintreau, 2005 | 60. m/0.53 mm/1. μm, He, 40. C @ 2. min, 4. K/min, 240. C @ 20. min |
Capillary | Supelcowax-10 | 828. | Rochat and Chaintreau, 2005 | 60. m/0.53 mm/1. μm, He, 40. C @ 2. min, 4. K/min, 240. C @ 20. min |
Capillary | DB-Wax | 825. | Chida, Sone, et al., 2004 | 60. m/0.25 mm/0.5 μm, 35. C @ 5. min, 4. K/min, 240. C @ 10. min |
Capillary | DB-Wax | 811. | Tanaka, Yamauchi, et al., 2003 | 30. m/0.25 mm/0.25 μm, 30. C @ 1. min, 4. K/min; Tend: 250. C |
Capillary | DB-Wax | 816. | Tanaka, Yamauchi, et al., 2003 | 30. m/0.25 mm/0.25 μm, 30. C @ 1. min, 4. K/min; Tend: 250. C |
Capillary | Supelcowax-10 | 820. | Vichi, Castellote, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 10. min, 3. K/min; Tend: 200. C |
Capillary | Supelcowax-10 | 816. | Vichi, Pizzale, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 10. min, 3. K/min; Tend: 200. C |
Capillary | HP-FFAP | 832. | Wanakhachornkrai and Lertsiri, 2003 | 25. m/0.32 mm/0.5 μm, He, 15. K/min; Tstart: 45. C; Tend: 220. C |
Capillary | FFAP | 814. | Lecanu, Ducruet, et al., 2002 | 30. m/0.32 mm/1. μm, He, 35. C @ 3. min, 5. K/min; Tend: 240. C |
Capillary | DB-Wax | 845. | Umano, Hagi, et al., 2002 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 2. K/min; Tend: 200. C |
Capillary | DB-Wax | 798. | Duque, Bonilla, et al., 2001 | 30. m/0.25 mm/0.25 μm, Helium, 4. K/min, 220. C @ 30. min; Tstart: 25. C |
Capillary | DB-Wax | 825. | Wei, Mura, et al., 2001 | 60. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 200. C |
Capillary | Supelcowax-10 | 814. | Girard and Durance, 2000 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 10. min, 4. K/min; Tend: 200. C |
Capillary | DB-Wax | 823. | Lee and Shibamoto, 2000 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 180. C @ 40. min; Tstart: 50. C |
Capillary | DB-Wax | 821. | Tamura, Boonbumrung, et al., 2000 | Nitrogen, 40. C @ 10. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C |
Capillary | DB-Wax | 846. | Umano, Hagi, et al., 2000 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 2. K/min; Tend: 200. C |
Capillary | DB-Wax | 805. | Iwatsuki, Mizota, et al., 1999 | 4. K/min; Column length: 30. m; Column diameter: 0.53 mm; Tstart: 60. C; Tend: 210. C |
Capillary | DB-Wax | 820. | Umano, Nakahara, et al., 1999 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 2. K/min; Tend: 200. C |
Capillary | Carbowax 20M | 810. | Anker, Jurs, et al., 1990 | 2. K/min; Column length: 80. m; Column diameter: 0.2 mm; Tstart: 70. C; Tend: 170. C |
Capillary | Carbowax 20M | 810. | Mihara, Tateba, et al., 1988 | N2, 3. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C |
Capillary | Carbowax 20M | 822. | Mihara, Tateba, et al., 1988 | N2, 3. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C |
Capillary | Carbowax 20M | 810. | Mihara, Tateba, et al., 1987 | N2, 3. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C |
Capillary | Carbowax 20M | 822. | Mihara, Tateba, et al., 1987 | N2, 3. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C |
Capillary | Carbowax 20M | 854. | Labropoulos, Palmer, et al., 1982 | Helium, 10. K/min; Column length: 31. m; Column diameter: 0.50 mm; Tstart: 40. C; Tend: 200. C |
Packed | Carbowax 20M | 816. | Tsao, 1969 | Helium, Chromosorb P HMDS, 5. K/min; Column length: 2. m; Tstart: 40. C; Tend: 200. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 800. | Welke, Manfroi, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | DB-Wax | 818. | Welke, Manfroi, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | HP-Innowax | 845. | Feng, Zhuang, et al., 2011 | 60. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | SOLGel-Wax | 814. | Johanningsmeier and McFeeters, 2011 | 30. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (2 min) 5 0C/min -> 140 0C 10 0C/min -> 250 0C (3 min) |
Capillary | SOLGel-Wax | 814. | Johanningsmeier and McFeeters, 2011 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | DB-Wax | 775. | Miyazaki, Plotto, et al., 2011 | 60. m/0.25 mm/0.50 μm, Helium; Program: 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min) |
Capillary | CP-Wax 52 CB | 821. | Povolo, Cabassi, et al., 2011 | Program: not specified |
Capillary | HP-Innowax | 841. | Cajka, Riddellova, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium; Program: 45 0C (1 min) 5 oC/min -> 170 0C 10 0C/min -> 260 0C (1 min) |
Capillary | DB-Wax | 836. | Kadar, Juan-Borras, et al., 2010 | 60. m/0.32 mm/1.0 μm, Helium; Program: 40 0C (2 min) 4 0C/min -> 190 0C (11 min) 8 0C/min -> 220 0C (8 min) |
Capillary | Supelko CO Wax | 816. | Vekiari, Orepoulou, et al., 2010 | 60. m/0.32 mm/0.25 μm, Helium; Program: 40 0C (5 min) 4 0C/min -> 75 0C 5 0C/min -> 250 0C (10 min) |
Capillary | Supelko CO Wax | 813. | Vekiari, Orepoulou, et al., 2010 | 60. m/0.32 mm/0.25 μm, Helium; Program: not specified |
Capillary | Supelcowax 10 | 815. | Soria, Martinez-Castro, et al., 2008 | 50. m/0.25 mm/0.25 μm, Helium; Program: 45 0C (15 min) 3 0C/min -> 75 0C 5 0C/min -> 180 0C (10 min) |
Capillary | Supelcowax-10 | 814. | Berard, Bianchi, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min) |
Capillary | Supelcowax-10 | 819. | Berard, Bianchi, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min) |
Capillary | HP-Innowax | 788. | Viegas and Bassoli, 2007 | 60. m/0.32 mm/0.25 μm, Helium; Program: 40 0C (5 min) 4 0C/min -> 60 0C (5 min) 8 0C/min -> 250 0C (3 min) |
Capillary | HP-Innowax | 823. | Viegas and Bassoli, 2007 | 60. m/0.32 mm/0.25 μm, Helium; Program: not specified |
Capillary | Supelcowax-10 | 847. | Kourkoutas, Kandylis, et al., 2006 | 60. m/0.32 mm/0.25 μm, He; Program: 35C(3min) => 5C/min => 110C => 10C/min => 240C (10min) |
Capillary | Innowax | 835. | Junkes, Amboni, et al., 2004 | Program: not specified |
Capillary | Carbowax 20M | 810. | Vinogradov, 2004 | Program: not specified |
Capillary | CP-Wax 52CB | 824. | Muresan, Eillebrecht, et al., 2000 | 50. m/0.32 mm/1.2 μm; Program: 40C(10min) => 3C/min => 190C => 10C/min => 250C(5min) |
Capillary | Supelcowax 10 | 815. | Castioni and Kapetanidis, 1996 | 60. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (10 min) 2 0C/min -> 80 0C 3 0C/min -> 100 0C 4 0C/min -> 220 0C (30 min) |
Capillary | Supelcowax 10 | 820. | Castioni and Kapetanidis, 1996 | 60. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | Supelcowax 10 | 821. | Castioni and Kapetanidis, 1996 | 60. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | Polyethylene Glycol | 820. | Zenkevich, Korolenko, et al., 1995 | Program: not specified |
Capillary | DB-Wax | 816. | Peng, Yang, et al., 1991 | Program: not specified |
Capillary | Carbowax 20M | 810. | Shibamoto, 1987 | Program: not specified |
Capillary | Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc. | 847. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | Carbowax 20M | 819. | Ramsey and Flanagan, 1982 | Program: not specified |
Capillary | Polyethylene Glycol | 810. | MacLeod and Pieris, 1981 | Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, 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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Ideal gas thermodynamic properties of propanone and 2-butanone,
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Equilibria in some secondary alcohol + hydrogen + ketone systems,
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Pennington and Kobe, 1957
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The thermodynamic properties of acetone,
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Miles and Hunt, 1941
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Chao J., 1986
Chao J.,
Thermodynamic properties of key organic oxygen compounds in the carbon range C1 to C4. Part 2. Ideal gas properties,
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Pennington R.E., 1957
Pennington R.E.,
The thermodynamic properties of acetone,
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Chao J., 1976
Chao J.,
Ideal gas thermodynamic properties of propanone and 2-butanone,
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Vilcu R., 1975
Vilcu R.,
Determination of heat capacities of some alcohols and ketones in vapor phase,
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Kabo G.J.,
Thermodynamic properties, conformation, and phase transitions of cyclopentanol,
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Bennewitz K., 1938
Bennewitz K.,
Molar heats of vapor organic compounds,
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The heat capacity of organic vapors. VI. Acetone,
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Sieck, 1985
Sieck, L.W.,
Thermochemistry of Solvation of NO2- and C6H5NO2- by Polar Molecules in the Vapor Phase. Comparison with Cl- and Variation with Ligand Structure.,
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French, M.A.; Ikuta, S.; Kebarle, P.,
Hydrogen bonding of O-H and C-H hydrogen donors to Cl-. Results from mass spectrometric measurement of the ion-molecule equilibria RH + Cl- = RHCl-,
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Hiraoka, Takimoto, et al., 1986
Hiraoka, K.; Takimoto, H.; Morise, K.; Shoda, T.; Nakamura, S.,
Ion-Molecule Reactions in Gaseous Acetone,
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Larson and McMahon, 1984
Larson, J.W.; McMahon, T.B.,
Gas phase negative ion chemistry of alkylchloroformates,
Can. J. Chem., 1984, 62, 675. [all data]
Bofdanov and McMahon, 2002
Bofdanov, B.; McMahon, T.B.,
Structures, Thermochemistry, and Infrared Spectra of Chloride Ion-Fluorinated Acetone Complexes and Neutral Fluorinated Acetones in the Gas Phase: Experiment and Theory,
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Hiraoka, Morise, et al., 1986
Hiraoka, K.; Morise, K.; Nishijima, T.; Nakamura, S.; Nakazato, M.; Ohkuma, K.,
Gas Phase Ion Equilibria Studies of Protons and Chloride Ions in Propanol and Acetone,
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Larson and McMahon, 1984, 2
Larson, J.W.; McMahon, T.B.,
Hydrogen bonding in gas phase anions. An experimental investigation of the interaction between chloride ion and bronsted acids from ICR chloride exchange equilibria,
J. Am. Chem. Soc., 1984, 106, 517. [all data]
Meot-Ner (Mautner) and Sieck, 1991
Meot-Ner (Mautner), M.; Sieck, L.W.,
Proton affinity ladders from variable-temperature equilibrium measurements. 1. A reevaluation of the upper proton affinity range,
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Szulejko and McMahon, 1991
Szulejko, J.E.; McMahon, T.B.,
A Pulsed Electron Beam, Variable Temperature, High Pressure Mass Spectrometric Reevaluation of the Proton Affinity Difference Between 2-Methylpropene and Ammonia,
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Hiraoka and Takimoto, 1986
Hiraoka, K.; Takimoto, H.,
Gas-Phase Stabilities of Symmetric Proton-Held Dimer Cations,
J. Phys. Chem., 1986, 90, 22, 5910, https://doi.org/10.1021/j100280a090
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Larson and McMahon, 1982
Larson, J.W.; McMahon, T.B.,
Formation, Thermochemistry, and Relative Stabilities of Proton - Bound dimers of Oxygen n - Donor Bases from Ion Cyclotron Resonance Solvent - Exchange Equilibria Measurements,
J. Am. Chem. Soc., 1982, 104, 23, 6255, https://doi.org/10.1021/ja00387a016
. [all data]
Grimsrud and Kebarle, 1973
Grimsrud, E.P.; Kebarle, P.,
Gas Phase Ion Equilibria Studies of the Solvation of the Hydrogen Ion by Methanol, Dimethyl Ether and Water. Effect of Hydrogen Bonding,
J. Am. Chem. Soc., 1973, 95, 24, 7939, https://doi.org/10.1021/ja00805a002
. [all data]
Lias, Liebman, et al., 1984
Lias, S.G.; Liebman, J.F.; Levin, R.D.,
Evaluated gas phase basicities and proton affinities of molecules heats of formation of protonated molecules,
J. Phys. Chem. Ref. Data, 1984, 13, 695. [all data]
Keesee and Castleman, 1986
Keesee, R.G.; Castleman, A.W., Jr.,
Thermochemical data on Ggs-phase ion-molecule association and clustering reactions,
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Lau, Saluja, et al., 1980
Lau, Y.K.; Saluja, P.P.S.; Kebarle, P.,
The Proton in Dimethyl Sulfoxide and Acetone. Results from Gas - Phase Ion Equilibria Involving (Me2SO)nH+ and (Me2CO)nH+,
J. Am. Chem. Soc., 1980, 102, 25, 7429, https://doi.org/10.1021/ja00545a004
. [all data]
Brinkman, Berger, et al., 1993
Brinkman, E.A.; Berger, S.; Marks, J.; Brauman, J.I.,
Molecular Rotation and the Observation of Dipole-Bound States of Anions,
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Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr.,
The gas phase acidity scale from methanol to phenol,
J. Am. Chem. Soc., 1979, 101, 6047. [all data]
Cumming and Kebarle, 1978
Cumming, J.B.; Kebarle, P.,
Summary of gas phase measurements involving acids AH. Entropy changes in proton transfer reactions involving negative ions. Bond dissociation energies D(A-H) and electron affinities EA(A),
Can. J. Chem., 1978, 56, 1. [all data]
Muftakhov, Vasil'ev, et al., 1999
Muftakhov, M.V.; Vasil'ev, Y.V.; Mazunov, V.A.,
Determination of electron affinity of carbonyl radicals by means of negative ion mass spectrometry,
Rapid Commun. Mass Spectrom., 1999, 13, 12, 1104-1108, https://doi.org/10.1002/(SICI)1097-0231(19990630)13:12<1104::AID-RCM619>3.0.CO;2-C
. [all data]
Wojtyniak and Stone, 1986
Wojtyniak, A.C.M.; Stone, A.J.,
A High-Pressure Mass Spectrometric Study of the Bonding of Trimethylsilylium to Oxygen and Aromatic Bases,
Can. J. Chem., 1986, 74, 59. [all data]
Armentrout and Rodgers, 2000
Armentrout, P.B.; Rodgers, M.T.,
An Absolute Sodium Cation Affinity Scale: Threshold Collision-Induced Dissociation Experiments and ab Initio Theory,
J. Phys. Chem A, 2000, 104, 11, 2238, https://doi.org/10.1021/jp991716n
. [all data]
Hoyau, Norrman, et al., 1999
Hoyau, S.; Norrman, K.; McMahon, T.B.; Ohanessian, G.,
A Quantitative Basis for a Scale of Na+ Affinities of Organic and Small Biological Molecules in the Gas Phase,
J. Am. Chem. Soc., 1999, 121, 38, 8864, https://doi.org/10.1021/ja9841198
. [all data]
Klassen, Anderson, et al., 1996
Klassen, J.S.; Anderson, S.G.; Blades, A.T.; Kebarle, P.,
Reaction Enthalpies for M+L = M+ + L, Where M+ = Na+ and K+ and L = Acetamide, N-Methylacetamide, N,N-Dimethylacetamide, Glycine, and Glycylglycine, from Determinations of the Collision-Induced Dissociation Thresholds,
J. Phys. Chem., 1996, 100, 33, 14218, https://doi.org/10.1021/jp9608382
. [all data]
Guo, Conklin, et al., 1989
Guo, B.C.; Conklin, B.J.; Castleman, A.W.,
Thermochemical Properties of Ion Complexes Na+(M)n in the Gas Phase,
J. Am. Chem. Soc., 1989, 111, 17, 6506, https://doi.org/10.1021/ja00199a005
. [all data]
McMahon and Ohanessian, 2000
McMahon, T.B.; Ohanessian, G.,
An Experimental and Ab Initio Study of the Nature of the Binding in Gas-Phase Complexes of Sodium Ions,
Chem. Eur. J., 2000, 6, 16, 2931, https://doi.org/10.1002/1521-3765(20000818)6:16<2931::AID-CHEM2931>3.0.CO;2-7
. [all data]
Chu, 2002
Chu, Y.,
Solvation of Copper Ions by Acetone. Structures and Sequential Binding Energies of Cu+(acetone)x, x=1-4 From Collision-Induced Dissociation and Theoretical Studies,
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. [all data]
El-Shall, Schriver, et al., 1989
El-Shall, M.S.; Schriver, K.E.; Whetten, R.L.; Meot-Ner (Mautner), M.,
Ion/Molecule Clustering Thermochemistry by Laser Ionization High - Pressure Mass Spectrometry,
J. Phys. Chem., 1989, 93, 24, 7969, https://doi.org/10.1021/j100361a002
. [all data]
Wiberg, Morgan, et al., 1994
Wiberg, K.B.; Morgan, K.M.; Maltz, H.,
Thermochemistry of carbonyl reactions. 6. A study of hydration equilibria,
J. Am. Chem. Soc., 1994, 116, 11067-11077. [all data]
Wiberg and Squires, 1979
Wiberg, K.B.; Squires, R.R.,
Thermodynamics of hydrolysis aliphatic ketals. An entropy component of steric effects,
J. Am. Chem. Soc., 1979, 101, 5512-5515. [all data]
Wiberg and Squires, 1979, 2
Wiberg, K.B.; Squires, R.R.,
A microprocessor-controlled system for precise measurement of temperature changes. Determination of the enthalpies of hydrolysis of some polyoxygenated hydrocarbons,
J. Chem. Thermodyn., 1979, 11, 773-786. [all data]
Stern and Dorer, 1962
Stern, J.H.; Dorer, F.H.,
Standard heats of formation of 2,2-Dimethoxypropane (1), and 2,2 -Diethoxypropane (1). Group additivity theory and calculated heats of formation and five ketals,
J. Phys. Chem., 1962, 66, 97-99. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Stone and Splinter, 1984
Stone, J.A.; Splinter, D.E.,
A high-pressure mass spectrometric study of the binding of (CH3)3Sn+ to lewis bases in the gas phase,
Int. J. Mass Spectrom. Ion Processes, 1984, 59, 169. [all data]
Meot-Ner (Mautner), Sieck, et al., 1996
Meot-Ner (Mautner), M.; Sieck, L.W.; Liebman, J.F.; Scheiner, S.,
Complexing of the Ammonium Ion by Polyethers. Comparative Complexing Thermochemistry of Ammonium, Hydronium, and Alkali Cations,
J. Phys. Chem., 1996, 100, 16, 6445, https://doi.org/10.1021/jp9514943
. [all data]
Larson and McMahon, 1987
Larson, J.W.; McMahon, T.B.,
Hydrogen bonding in gas phase anions. The energetics of interaction between cyanide ion and bronsted acids,
J. Am. Chem. Soc., 1987, 109, 6230. [all data]
Payzant, Yamdagni, et al., 1971
Payzant, J.D.; Yamdagni, R.; Kebarle, P.,
Hydration of CN-, NO2-, NO3-, and HO- in the gas phase,
Can. J. Chem., 1971, 49, 3308. [all data]
Dolliver, Gresham, et al., 1938
Dolliver, M.A.; Gresham, T.L.; Kistiakowsky, G.B.; Smith, E.A.; Vaughan, W.E.,
Heats of organic reactions. VI. Heats of hydrogenation of some oxygen-containing compounds,
J. Am. Chem. Soc., 1938, 60, 440-450. [all data]
Meot-ner, 1988
Meot-ner, M.,
Ionic Hydrogen Bond and Ion Solvation. 6. Interaction Energies of the Acetate Ion with Organic Molecules. Comparison of CH3COO- with Cl-, CN-, and SH-,
J. Am. Chem. Soc., 1988, 110, 12, 3854, https://doi.org/10.1021/ja00220a022
. [all data]
Ramond, Davico, et al., 2000
Ramond, T.M.; Davico, G.E.; Schwartz, R.L.; Lineberger, W.C.,
Vibronic structure of alkoxy radicals via photoelectron spectroscopy,
J. Chem. Phys., 2000, 112, 3, 1158-1169, https://doi.org/10.1063/1.480767
. [all data]
Meot-ner, 1988, 2
Meot-ner, M.,
The Ionic Hydrogen Bond and Solvation. 7. Interaction Energies of Carbanions with Solvent Molecules,
J. Am. Chem. Soc., 1988, 110, 12, 3858, https://doi.org/10.1021/ja00220a022
. [all data]
Sunner, 1984
Sunner, J. Kebarle,
Ion - Solvent Molecule Interactions in the Gas Phase. The Potassium Ion and Me2SO, DMA, DMF, and Acetone,
J. Am. Chem. Soc., 1984, 106, 21, 6135, https://doi.org/10.1021/ja00333a002
. [all data]
Blades, Klassen, et al., 1995
Blades, A.T.; Klassen, J.S.; Kebarle, P.,
Free Energies of Hydration in the Gas Phase on the Anions of Some Oxo Acids of C, N, S, P, Cl and I,
J. Am. Chem. Soc., 1995, 117, 42, 10563, https://doi.org/10.1021/ja00147a019
. [all data]
Meot-Ner, 1984
Meot-Ner, (Mautner)M.,
The Ionic Hydrogen Bond and Ion Solvation. 1. -NH+ O-, -NH+ N- and -OH+ O- Bonds. Correlations with Proton Affinity. Deviations Due to Structural Effects,
J. Am. Chem. Soc., 1984, 106, 5, 1257, https://doi.org/10.1021/ja00317a015
. [all data]
Sheldon and Bowie, 1983
Sheldon, J.C.; Bowie, J.H.,
The Reactions of {F-..HOMe} and {MeCO2-..HF} Negative Ions with Acetaldehyde and Acetone.,
Aust. J. Chem., 1983, 36, 2, 289, https://doi.org/10.1071/CH9830289
. [all data]
Bauschlicher, Bouchard, et al., 1991
Bauschlicher, C.W.; Bouchard, F.; Hepburn, J.W.; McMahon, T.B.; Surjasasmita, I.; Roth, L.M.; Gord, J.R.,
On the Structure of Al(Acetone)2+,
Int. J. Mass Spectrom. Ion Proc., 1991, 109, 15, https://doi.org/10.1016/0168-1176(91)85094-3
. [all data]
Reents and Freiser, 1981
Reents, W.D.; Freiser, B.S.,
Gas-Phase Binding Energies and Spectroscopic Properties of NO+ Charge-Transfer Complexes,
J. Am. Chem. Soc., 1981, 103, 2791. [all data]
Farid and McMahon, 1978
Farid, R.; McMahon, T.B.,
Gas-Phase Ion-Molecule Reactions of Alkyl Nitrites by Ion Cyclotron Resonance Spectroscopy,
Int. J. Mass Spectrom. Ion Phys., 1978, 27, 2, 163, https://doi.org/10.1016/0020-7381(78)80037-0
. [all data]
Staley and Beauchamp, 1975
Staley, R.H.; Beauchamp, J.L.,
Intrinsic Acid - Base Properties of Molecules. Binding Energies of Li+ to pi - and n - Donor Bases,
J. Am. Chem. Soc., 1975, 97, 20, 5920, https://doi.org/10.1021/ja00853a050
. [all data]
Dzidic and Kebarle, 1970
Dzidic, I.; Kebarle, P.,
Hydration of the Alkali Ions in the Gas Phase. Enthalpies and Entropies of Reactions M+(H2O)n-1 + H2O = M+(H2O)n,
J. Phys. Chem., 1970, 74, 7, 1466, https://doi.org/10.1021/j100702a013
. [all data]
Kolb and Burwell, 1945
Kolb, H.J.; Burwell, R.L., Jr.,
Equilibrium in the dehydrogenation of secondary propyl and butyl alcohols,
J. Am. Chem. Soc., 1945, 67, 1084-1088. [all data]
Operti, Tews, et al., 1988
Operti, L.; Tews, E.C.; Freiser, B.S.,
Determination of Gas-Phase Ligand Binding Energies to Mg+ by FTMS Techniques,
J. Am. Chem. Soc., 1988, 110, 12, 3847, https://doi.org/10.1021/ja00220a020
. [all data]
King, Golden, et al., 1971
King, K.D.; Golden, D.M.; Benson, S.W.,
Thermochemistry of the gas-phase equilibrium CH3COCH3 + Br2 = CH3COCH2Br + HBr. The enthalpy of formation of bromoacetone,
J. Chem. Thermodyn., 1971, 3, 129-134. [all data]
Horii, Kawamura, et al., 1972
Horii, T.; Kawamura, S.; Tsurugi, J.,
A NMR study of the thioacetic acid-acetone mixture,
Bull. Chem. Soc. Jpn., 1972, 45, 2200-2202. [all data]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Desfrancois, Abdoul-Carime, et al., 1994
Desfrancois, C.; Abdoul-Carime, H.; Khelifa, N.; Schermann, J.P.,
Fork 1/r to 1/r2 Potentials: Electron Exchange between Rydberg Atoms and Polar Molecules,
Phys. Rev. Lett., 1994, 73, 18, 2436, https://doi.org/10.1103/PhysRevLett.73.2436
. [all data]
Bouchoux, Buisson, et al., 2003
Bouchoux, G.; Buisson, D.A.; Bourcier, S.; Sablier, M.,
Application of the kinetic method to bifunctional bases. ESI tandem quadrupole experiments,
Int. J. Mass Spectrom., 2003, 228, 1035. [all data]
Bouchoux and Salpin, 1999
Bouchoux, J.; Salpin, J.Y.,
Re-evaluated gas-phase basicity and proton affinity data from the thermokinetic method,
Rapid Com. Mass Spectrom., 1999, 13, 932. [all data]
Traeger, McLouglin, et al., 1982
Traeger, J.C.; McLouglin, R.G.; Nicholson, A.J.C.,
Heat of formation for acetyl cation in the gas phase,
J. Am. Chem. Soc., 1982, 104, 5318. [all data]
Trott, Blais, et al., 1978
Trott, W.M.; Blais, N.C.; Walters, E.A.,
Molecular beam photoionization study of acetone and acetone-d6,
J. Chem. Phys., 1978, 69, 3150. [all data]
Staley, Wieting, et al., 1977
Staley, R.H.; Wieting, R.D.; Beauchamp, J.L.,
Carbenium ion stabilities in the gas phase and solution. An ion cyclotron resonance study of bromide transfer reactions involving alkali ions, alkyl carbenium ions, acyl cations and cyclic halonium ions,
J. Am. Chem. Soc., 1977, 99, 5964. [all data]
Hernandez, Masclet, et al., 1977
Hernandez, R.; Masclet, P.; Mouvier, G.,
Spectroscopie de photoelectrons d'aldehydes et de cetones aliphatiques,
J. Electron Spectrosc. Relat. Phenom., 1977, 10, 333. [all data]
Mouvier and Hernandez, 1975
Mouvier, G.; Hernandez, R.,
Ionisation and appearance potentials of alkylketones,
Org. Mass Spectrom., 1975, 10, 958. [all data]
Tam, Yee, et al., 1974
Tam, W.-C.; Yee, D.; Brion, C.E.,
Photoelectron spectra of some aldehydes and ketones,
J. Electron Spectrosc. Relat. Phenom., 1974, 4, 77. [all data]
Ogata, Kitayama, et al., 1974
Ogata, H.; Kitayama, J.; Koto, M.; Kojima, S.; Nihei, Y.; Kamada, H.,
Vacuum ultraviolet absorption and photoelectron spectra of aliphatic ketones,
Bull. Chem. Soc. Jpn., 1974, 47, 958. [all data]
Knowles and Nicholson, 1974
Knowles, D.J.; Nicholson, A.J.C.,
Ionization energies of formic and acetic acid monomers,
J. Chem. Phys., 1974, 60, 1180. [all data]
Huebner, Celotta, et al., 1973
Huebner, R.H.; Celotta, R.J.; Mielczarek, S.R.; Kuyatt, C.E.,
Electron energy loss spectroscopy of acetone vapor,
J. Chem. Phys., 1973, 59, 5434. [all data]
Potapov and Sorokin, 1972
Potapov, V.K.; Sorokin, V.V.,
Kinetic energies of products of dissociative photoionization of molecules. I. Aliphatic ketones and alcohols,
Khim. Vys. Energ., 1972, 6, 387. [all data]
Johnstone and Mellon, 1972
Johnstone, R.A.W.; Mellon, F.A.,
Electron-impact ionization and appearance potentials,
J. Chem. Soc. Faraday Trans. 2, 1972, 68, 1209. [all data]
Brundle, Robin, et al., 1972
Brundle, C.R.; Robin, M.B.; Kuebler, N.A.; Basch, H.,
Perfluoro effect in photoelectron spectroscopy. I. Nonaromatic molecules,
J. Am. Chem. Soc., 1972, 94, 1451. [all data]
Johnstone, Mellon, et al., 1971
Johnstone, R.A.W.; Mellon, F.A.; Ward, S.D.,
On-line computer methods used in conjunction with the measurement of ionization appearance potentials,
Adv. Mass Spectrom., 1971, 5, 334. [all data]
Cocksey, Eland, et al., 1971
Cocksey, B.J.; Eland, J.H.D.; Danby, C.J.,
The effect of alkyl substitution on ionisation potential,
J. Chem. Soc., 1971, (B), 790. [all data]
Johnstone, Mellon, et al., 1970
Johnstone, R.A.W.; Mellon, F.A.; Ward, S.D.,
Online acquisition of ionization efficiency data,
Intern. J. Mass Spectrom. Ion Phys., 1970, 5, 241. [all data]
Dewar and Worley, 1969
Dewar, M.J.S.; Worley, S.D.,
Photoelectron spectra of molecules. I. Ionization potentials of some organic molecules and their interpretation,
J. Chem. Phys., 1969, 50, 654. [all data]
Potapov, Filyugina, et al., 1968
Potapov, V.K.; Filyugina, A.D.; Shigorin, D.N.; Ozerova, G.A.,
Photoionization of some compounds containing the carbonyl and amino groups,
Dokl. Akad. Nauk SSSR, 1968, 180, 398, In original 352. [all data]
Dorman, 1965
Dorman, F.H.,
Fragment ions from CH3CHO and (CH3)2CO by electron impact,
J. Chem. Phys., 1965, 42, 65. [all data]
Murad and Inghram, 1964
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Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy Cp,gas Constant pressure heat capacity of gas EA Electron affinity IE (evaluated) Recommended ionization energy T Temperature ΔcH°gas Enthalpy of combustion of gas at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions 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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