Benzene
- Formula: C6H6
- Molecular weight: 78.1118
- IUPAC Standard InChIKey: UHOVQNZJYSORNB-UHFFFAOYSA-N
- CAS Registry Number: 71-43-2
- 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: [6]Annulene; Benzol; Benzole; Coal naphtha; Cyclohexatriene; Phenyl hydride; Pyrobenzol; Pyrobenzole; Benzolene; Bicarburet of hydrogen; Carbon oil; Mineral naphtha; Motor benzol; Benzeen; Benzen; Benzin; Benzine; Benzolo; Fenzen; NCI-C55276; Phene; Rcra waste number U019; UN 1114; NSC 67315; 1,3,5-Cyclohexatriene
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Gas phase thermochemistry data
- Condensed phase thermochemistry data
- Phase change data
- Reaction thermochemistry data (reactions 1 to 50)
- Gas phase ion energetics data
- Ion clustering data
- IR Spectrum
- Mass spectrum (electron ionization)
- Vibrational and/or electronic energy levels
- Gas Chromatography
- References
- Notes
- Other data available:
- Reaction thermochemistry data: reactions 51 to 99
- Henry's Law data
- UV/Visible spectrum
- Fluid Properties
- Data at other public NIST sites:
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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:
DRB - Donald R. Burgess, Jr.
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 | 19.8 ± 0.2 | kcal/mol | Review | Roux, Temprado, et al., 2008 | There are sufficient high-quality literature values to make a good evaluation with a high degree of confidence. In general, the evaluated uncertainty limits are on the order of (0.5 to 2.5) kJ/mol.; DRB |
ΔfH°gas | 19.8 | kcal/mol | N/A | Good and Smith, 1969 | Value computed using ΔfHliquid° value of 49.0±0.5 kj/mol from Good and Smith, 1969 and ΔvapH° value of 33.9 kj/mol from Prosen, Gilmont, et al., 1945.; DRB |
ΔfH°gas | 19.82 ± 0.12 | kcal/mol | Ccb | Prosen, Gilmont, et al., 1945 | Hf by Prosen, Johnson, et al., 1946; ALS |
ΔfH°gas | 19.1 | kcal/mol | N/A | Landrieu, Baylocq, et al., 1929 | Value computed using ΔfHliquid° value of 46.0 kj/mol from Landrieu, Baylocq, et al., 1929 and ΔvapH° value of 33.9 kj/mol from Prosen, Gilmont, et al., 1945.; DRB |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
7.952 | 50. | Thermodynamics Research Center, 1997 | GT |
8.391 | 100. | ||
10.02 | 150. | ||
12.71 | 200. | ||
17.82 | 273.15 | ||
19.70 | 298.15 | ||
19.84 | 300. | ||
27.132 | 400. | ||
33.305 | 500. | ||
38.262 | 600. | ||
42.251 | 700. | ||
45.519 | 800. | ||
48.236 | 900. | ||
50.528 | 1000. | ||
52.476 | 1100. | ||
54.140 | 1200. | ||
55.566 | 1300. | ||
56.800 | 1400. | ||
57.866 | 1500. | ||
59.969 | 1750. | ||
61.487 | 2000. | ||
62.608 | 2250. | ||
63.456 | 2500. | ||
64.109 | 2750. | ||
64.620 | 3000. |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
22.30 ± 0.01 | 333.15 | Todd S.S., 1978 | Please also see Montgomery J.B., 1942, Pitzer K.S., 1943, Scott D.W., 1947.; GT |
22.90 | 341.60 | ||
23.42 ± 0.01 | 348.15 | ||
24.85 ± 0.01 | 368.15 | ||
25.100 | 370. | ||
25.041 | 371.20 | ||
26.00 ± 0.30 | 388. | ||
26.501 | 390. | ||
26.40 ± 0.30 | 393. | ||
27.230 | 402.30 | ||
27.32 ± 0.02 | 403.15 | ||
27.600 | 410. | ||
28.10 ± 0.30 | 417. | ||
28.40 ± 0.30 | 428. | ||
29.491 | 436.15 | ||
29.62 ± 0.02 | 438.15 | ||
30.30 ± 0.30 | 463. | ||
31.649 | 471.10 | ||
31.77 ± 0.02 | 473.15 | ||
31.40 ± 0.30 | 481. | ||
33.33 ± 0.02 | 500.15 | ||
34.80 ± 0.02 | 527.15 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | 12. ± 0.2 | kcal/mol | Review | Roux, Temprado, et al., 2008 | There are sufficient high-quality literature values to make a good evaluation with a high degree of confidence. In general, the evaluated uncertainty limits are on the order of (0.5 to 2.5) kJ/mol.; DRB |
ΔfH°liquid | 11.70 ± 0.13 | kcal/mol | Ccb | Good and Smith, 1969 | ALS |
ΔfH°liquid | 11.72 ± 0.12 | kcal/mol | Ccb | Prosen, Gilmont, et al., 1945 | Hf by Prosen, Johnson, et al., 1946; ALS |
ΔfH°liquid | 11.0 | kcal/mol | Ccb | Landrieu, Baylocq, et al., 1929 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -781. ± 4. | kcal/mol | AVG | N/A | Average of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 41.410 | cal/mol*K | N/A | Oliver, Eaton, et al., 1948 | DH |
S°liquid | 41.90 | cal/mol*K | N/A | Huffman, Parks, et al., 1930 | Extrapolation below 90 K, 47.49 J/mol*K.; DH |
Quantity | Value | Units | Method | Reference | Comment |
S°solid,1 bar | 10.89 | cal/mol*K | N/A | Ahlberg, Blanchard, et al., 1937 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
32.431 | 298.15 | Grolier, Roux-Desgranges, et al., 1993 | DH |
32.48 | 298.5 | Czarnota, 1991 | p = 0.1 MPa. Cp values given for the pressure range 0.1 to 68.1 MPa.; DH |
32.414 | 298.15 | Lainez, Rodrigo, et al., 1989 | DH |
32.177 | 298.15 | Shiohama, Ogawa, et al., 1988 | DH |
32.445 | 298.15 | Grolier, Roux-Desgranges, et al., 1987 | DH |
32.173 | 293.15 | Kalali, Kohler, et al., 1987 | T = 293.15, 313.15 K.; DH |
32.4348 | 298.15 | Tanaka, 1987 | DH |
33.44 | 322.05 | Naziev, Bashirov, et al., 1986 | T = 322.05, 351.15 K. p = 0.1 MPa. Unsmoothed experimental datum given as 1.7915 kJ/kg*K.; DH |
32.84 | 303.15 | Reddy, 1986 | T = 303.15, 313.15 K.; DH |
32.519 | 298.15 | Ogawa and Murakami, 1985 | DH |
32.4374 | 298.15 | Tanaka, 1985 | DH |
32.562 | 298.15 | Gorbunova, Simonov, et al., 1983 | T = 283.78 to 348.47 K. Cp = 1.3943 - 5.857x10-4T + 5.89x10-6T2 kJ/kg*K. Cp value calculated from equation.; DH |
32.62 | 300. | Gorbunova, Grigoriev, et al., 1982 | T = 280 to 353 K. Data also given by equation.; DH |
32.43 | 298.15 | Grolier, Inglese, et al., 1982 | T = 298.15 K.; DH |
32.443 | 298.15 | Tanaka, 1982 | Temperatures 293.15, 298.15, 303.15 K.; DH |
32.409 | 298.15 | Wilhelm, Faradjzadeh, et al., 1982 | DH |
31.93 | 293.15 | Atalla, El-Sharkawy, et al., 1981 | DH |
32.481 | 298.15 | Vesely, Zabransky, et al., 1979 | DH |
32.412 | 298.15 | Grolier, Wilhelm, et al., 1978 | DH |
32.481 | 298.15 | Vesely, Svoboda, et al., 1977 | T = 298 to 318 K.; DH |
32.409 | 298.15 | Wilhelm, Grolier, et al., 1977 | DH |
32.447 | 298.15 | Fortier, Benson, et al., 1976 | DH |
32.4474 | 298.15 | Fortier and Benson, 1976 | DH |
32.43 | 298.15 | Rajagopal and Subrahmanyam, 1974 | T = 298.15 to 323.15 K.; DH |
32.10 | 298. | Deshpande and Bhatagadde, 1971 | T = 298 to 318 K.; DH |
32.48 | 298.15 | Hyder Khan and Subrahmanyam, 1971 | T = 298; 313 K.; DH |
32.48 | 298. | Subrahmanyam and Khan, 1969 | DH |
32.36 | 298. | Recko, 1968 | T = 24 to 40°C, equation only.; DH |
31.1 | 298. | Pacor, 1967 | DH |
32.17 | 293. | Rastorguev and Ganiev, 1967 | T = 293 to 353 K.; DH |
32.337 | 300. | Findenegg, Gruber, et al., 1965 | DH |
32.261 | 298. | Rabinovich and Nikolaev, 1962 | T = 10 to 35°C.; DH |
32.29 | 316. | Swietoslawski and Zielenkiewicz, 1960 | Mean value 21 to 66°C.; DH |
32.60 | 303. | Duff and Everett, 1956 | T = 303 to 353 K.; DH |
32.321 | 298. | Staveley, Tupman, et al., 1955 | T = 288 to 347 K.; DH |
7.60 | 293. | Sieg, Crtzen, et al., 1951 | DH |
32.519 | 298.15 | Oliver, Eaton, et al., 1948 | T = 13 to 337 K.; DH |
28.4 | 295. | Tschamler, 1948 | DH |
31.91 | 298. | Kurbatov, 1947 | T = 9 to 80°C, mean Cp, five temperatures.; DH |
32.50 | 298.1 | Zhdanov, 1941 | T = 8 to 46°C.; DH |
32.371 | 298.2 | Burlew, 1940 | T = 281 to 353 K.; DH |
31.41 | 287.8 | Kolosovskii and Udovenko, 1934 | DH |
31.41 | 287.8 | de Kolossowsky and Udowenko, 1933 | DH |
31.41 | 298.15 | Ferguson and Miller, 1933 | T = 293 to 323 K. Data calculated from equation.; DH |
32.29 | 298.1 | Richards and Wallace, 1932 | T = 293 to 333 K.; DH |
34.314 | 323.15 | Fiock, Ginnings, et al., 1931 | T = 50 to 110°C.; DH |
32.29 | 300.0 | Huffman, Parks, et al., 1930 | T = 93 to 300 K. Value is unsmoothed experimental datum.; DH |
31.60 | 298. | Andrews, Lynn, et al., 1926 | T = -18 to 110°C.; DH |
31.81 | 293.2 | Williams and Daniels, 1925 | T = 20 to 60°C.; DH |
32.00 | 303. | Willams and Daniels, 1924 | T = 303 to 333 K. Equation only.; DH |
32.79 | 298. | Dejardin, 1919 | T = 24 to 50°C.; DH |
31.91 | 298. | von Reis, 1881 | T = 292 to 364 K.; DH |
Constant pressure heat capacity of solid
Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
11.44 | 90. | Ahlberg, Blanchard, et al., 1937 | T = 4 to 93 K.; DH |
23.4 | 223.9 | Aoyama and Kanda, 1935 | T = 82 to 224 K. Value is unsmoothed experimental datum.; DH |
28.30 | 273. | Maass and Walbauer, 1925 | T = 93 to 273 K.; DH |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 353.3 ± 0.1 | K | AVG | N/A | Average of 147 out of 183 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 278.64 ± 0.08 | K | AVG | N/A | Average of 57 out of 69 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 278.5 ± 0.6 | K | AVG | N/A | Average of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 562.0 ± 0.8 | K | AVG | N/A | Average of 36 out of 41 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 48.3 ± 0.4 | atm | AVG | N/A | Average of 24 out of 26 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.25 ± 0.03 | l/mol | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 3.9 ± 0.2 | mol/l | AVG | N/A | Average of 12 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 8.10 ± 0.03 | kcal/mol | AVG | N/A | Average of 10 out of 11 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 10.6 | kcal/mol | TE,ME | Kruif, 1980 | Based on data from 183. to 197. K.; AC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
7.342 | 353.3 | N/A | Majer and Svoboda, 1985 | |
7.93 | 320. | N/A | Lubomska, Banas, et al., 2002 | Based on data from 305. to 345. K.; AC |
8.51 | 258. to 313. | GC | Liu and Dickhut, 1994 | AC |
8.01 | 311. | EB | Ambrose, Ewing, et al., 1990 | Based on data from 296. to 377. K.; AC |
7.98 | 307. | C | Dong, Lin, et al., 1988 | AC |
7.91 | 314. | C | Dong, Lin, et al., 1988 | AC |
7.74 | 324. | C | Dong, Lin, et al., 1988 | AC |
7.62 | 332. | C | Dong, Lin, et al., 1988 | AC |
7.50 | 344. | C | Dong, Lin, et al., 1988 | AC |
7.31 | 353. | C | Dong, Lin, et al., 1988 | AC |
8.22 | 294. | A | Stephenson and Malanowski, 1987 | Based on data from 279. to 377. K.; AC |
7.53 | 368. | A | Stephenson and Malanowski, 1987 | Based on data from 353. to 422. K.; AC |
7.22 | 435. | A | Stephenson and Malanowski, 1987 | Based on data from 420. to 502. K.; AC |
7.24 | 516. | A | Stephenson and Malanowski, 1987 | Based on data from 501. to 562. K.; AC |
7.36 | 352. | N/A | Natarajan, 1983 | AC |
7.29 | 361. | N/A | Natarajan, 1983 | AC |
7.22 | 366. | N/A | Natarajan, 1983 | AC |
8.44 | 343. | N/A | Tsonopoulos and Wilson, 1983 | Based on data from 313. to 373. K.; AC |
7.4 | 350. | N/A | Rao and Viswanath, 1977 | AC |
7.89 ± 0.02 | 313. | C | Svoboda, Veselý, et al., 1973 | AC |
7.70 ± 0.02 | 328. | C | Svoboda, Veselý, et al., 1973 | AC |
7.60 ± 0.02 | 333. | C | Svoboda, Veselý, et al., 1973 | AC |
7.50 ± 0.02 | 343. | C | Svoboda, Veselý, et al., 1973 | AC |
7.39 ± 0.02 | 353. | C | Svoboda, Veselý, et al., 1973 | AC |
7.79 ± 0.1 | 313. | DSC | Mita, Imai, et al., 1971 | AC |
7.8 ± 0.1 | 328. | DSC | Mita, Imai, et al., 1971 | AC |
7.55 ± 0.1 | 345. | DSC | Mita, Imai, et al., 1971 | AC |
8.15 | 299. | N/A | Forziati, Norris, et al., 1949 | Based on data from 284. to 354. K.; AC |
8.15 | 293. | N/A | Yarym-Agaev, Fedos'ev, et al., 1949 | AC |
8.15 | 297. | N/A | Thomson, 1946 | Based on data from 282. to 354. K.; AC |
7.46 | 294. | N/A | Scott and Brickwedde, 1945 | AC |
8.15 | 303. | MM | Willingham, Taylor, et al., 1945 | Based on data from 288. to 354. K.; AC |
7.98 | 313. | EB | Smith, 1941 | Based on data from 298. to 373. K.; AC |
8.25 | 288. | N/A | Stuckey and Saylor, 1940 | Based on data from 273. to 348. K.; AC |
Enthalpy of vaporization
ΔvapH = A exp(-αTr)
(1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kcal/mol)
Tr = reduced temperature (T / Tc)
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Temperature (K) | 293. to 469. |
---|---|
A (kcal/mol) | 11.33 |
α | 0.1231 |
β | 0.3602 |
Tc (K) | 562.1 |
Reference | Majer and Svoboda, 1985 |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
333.4 to 373.5 | 4.72012 | 1660.652 | -1.461 | Eon, Pommier, et al., 1971 | Coefficents calculated by NIST from author's data. |
297.9 to 318. | 0.14020 | 39.165 | -261.236 | Deshpande and Pandya, 1967 | Coefficents calculated by NIST from author's data. |
421.56 to 554.8 | 4.59791 | 1701.073 | 20.806 | Kalafati, Rasskazov, et al., 1967 | Coefficents calculated by NIST from author's data. |
287.70 to 354.07 | 4.01243 | 1203.835 | -53.226 | Williamham, Taylor, et al., 1945 |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
9.97 | 258. to 273. | N/A | Liu and Dickhut, 1994 | AC |
10.8 | 264. | A | Stephenson and Malanowski, 1987 | Based on data from 223. to 279. K. See also Ha, Morrison, et al., 1976.; AC |
10.8 | 278. | N/A | Hessler, 1984 | AC |
12.9 ± 0.2 | 193. | N/A | De Kruif and Van Ginkel, 1977 | AC |
11.8 ± 0.1 | 193. | N/A | De Kruif and Van Ginkel, 1977 | AC |
10.9 | 279. | MM | Jackowski, 1974 | Based on data from 221. to 268. K.; AC |
10.5 | 261. | N/A | Jones, 1960 | AC |
10.3 | 229. | N/A | Jones, 1960 | AC |
10.7 | 279. | N/A | Milazzo, 1956 | AC |
11.1 | 282. | A | Stull, 1947 | Based on data from 263. to 270. K.; AC |
9.2 | 303. | V | Wolf and Weghofer, 1938 | ALS |
10.7 | 273. | N/A | de Boer, 1936 | See also Jackowski, 1974.; AC |
10.3 | 226. | A | Mündel, 1913 | Based on data from 214. to 238. K.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
2.3581 | 278.69 | N/A | Oliver, Eaton, et al., 1948 | DH |
2.370 | 278.65 | N/A | Ziegler and Andrews, 1942 | DH |
2.36 | 278.7 | C | Domalski and Hearing, 1996 | See also Andrews, Lynn, et al., 1926 and Ziegler and Andrews, 1942.; AC |
2.223 | 279.1 | N/A | Smith, 1979 | DH |
2.139 | 278.8 | N/A | Pacor, 1967 | DH |
2.375 | 278.6 | N/A | Tschamler, 1948 | DH |
2.343 | 278.6 | N/A | Huffman, Parks, et al., 1930 | DH |
2.360 | 278.55 | N/A | Andrews, Lynn, et al., 1926 | DH |
2.3901 | 278.64 | N/A | Maass and Walbauer, 1925 | DH |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
8.461 | 278.69 | Oliver, Eaton, et al., 1948 | DH |
8.506 | 278.65 | Ziegler and Andrews, 1942 | DH |
7.96 | 279.1 | Smith, 1979 | DH |
7.67 | 278.8 | Pacor, 1967 | DH |
8.411 | 278.6 | Huffman, Parks, et al., 1930 | DH |
8.48 | 278.55 | Andrews, Lynn, et al., 1926 | DH |
8.58 | 278.64 | Maass and Walbauer, 1925 | DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar
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- + C6H6 = (Cl- • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.00 ± 0.46 | kcal/mol | N/A | Tschurl, Ueberfluss, et al., 2007 | gas phase; B |
ΔrH° | 9.4 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 9.90 | kcal/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,M |
ΔrH° | 8.7 | kcal/mol | PHPMS | Paul and Kebarle, 1991 | gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M |
ΔrH° | 10.4 | kcal/mol | PHPMS | Sunner, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.9 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 17. | cal/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M |
ΔrS° | 17.1 | cal/mol*K | N/A | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M |
ΔrS° | 22. | cal/mol*K | N/A | Sunner, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.0 ± 2.6 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 3.8 ± 1.6 | kcal/mol | IMRE | Chowdhury and Kebarle, 1986 | gas phase; B |
ΔrG° | 4.8 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,M |
ΔrG° | 3.80 | kcal/mol | IMRE | French, Ikuta, et al., 1982 | gas phase; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.6 | 300. | PHPMS | Paul and Kebarle, 1991 | gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M |
3.8 | 300. | PHPMS | Chowdhury and Kebarle, 1986 | gas phase; M |
3.8 | 300. | PHPMS | Sunner, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated; M |
C6H5- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 401.22 ± 0.50 | kcal/mol | G+TS | Davico, Bierbaum, et al., 1995 | gas phase; Revised per Ervin and DeTuro, 2002 change in NH3 acidity. Alecu, Gao, et al., 2007 using thermal methods, agrees with this BDE: 112.8±0.6; value altered from reference due to change in acidity scale; B |
ΔrH° | 401.16 ± 0.21 | kcal/mol | D-EA | Gunion, Gilles, et al., 1992 | gas phase; B |
ΔrH° | 400.7 ± 2.5 | kcal/mol | TDEq | Meot-ner and Sieck, 1986 | gas phase; B |
ΔrH° | 401. ± 10. | kcal/mol | CIDT | Graul and Squires, 1990 | gas phase; B |
ΔrH° | 398.0 ± 5.6 | kcal/mol | G+TS | Bohme and Young, 1971 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 392.40 ± 0.40 | kcal/mol | IMRE | Davico, Bierbaum, et al., 1995 | gas phase; Revised per Ervin and DeTuro, 2002 change in NH3 acidity. Alecu, Gao, et al., 2007 using thermal methods, agrees with this BDE: 112.8±0.6; value altered from reference due to change in acidity scale; B |
ΔrG° | 390.9 ± 2.0 | kcal/mol | TDEq | Meot-ner and Sieck, 1986 | gas phase; B |
ΔrG° | 390.1 ± 6.5 | kcal/mol | IMRB | Bartmess and McIver Jr., 1979 | gas phase; B |
ΔrG° | 389.2 ± 5.5 | kcal/mol | IMRB | Bohme and Young, 1971 | gas phase; B |
By formula: C6H6+ + C6H6 = (C6H6+ • C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14. ± 8. | kcal/mol | AVG | N/A | Average of 7 out of 10 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28.8 | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1991 | gas phase; M |
ΔrS° | 27. | cal/mol*K | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; M |
ΔrS° | 23. | cal/mol*K | HPMS | Field, Hamlet, et al., 1969 | gas phase; M |
By formula: Li+ + C6H6 = (Li+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 38.5 ± 3.2 | kcal/mol | CIDT | Amicangelo and Armentrout, 2000 | RCD |
ΔrH° | 37.9 | kcal/mol | ICR | Woodin and Beauchamp, 1978 | gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 extrapolated; M |
ΔrH° | 36.5 | kcal/mol | ICR | Staley and Beauchamp, 1975 | gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.5 | cal/mol*K | N/A | Woodin and Beauchamp, 1978 | gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 extrapolated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 29.7 | kcal/mol | ICR | Woodin and Beauchamp, 1978 | gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 extrapolated; M |
By formula: Br- + C6H6 = (Br- • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.0 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.0 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 17. | cal/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.5 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; B |
ΔrG° | 3.9 ± 2.6 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
0.0 | 423. | PHPMS | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
By formula: (Na+ • C6H6) + C6H6 = (Na+ • 2C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20. ± 1. | kcal/mol | AVG | N/A | Average of 7 values; Individual data points |
By formula: Na+ + C6H6 = (Na+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 22.8 ± 1.4 | kcal/mol | CIDC | Amicangelo and Armentrout, 2001 | Anchor NH3=24.41; RCD |
ΔrH° | 21.1 ± 1.2 | kcal/mol | CIDT | Amicangelo and Armentrout, 2000 | RCD |
ΔrH° | 21.1 ± 1.1 | kcal/mol | CIDT | Armentrout and Rodgers, 2000 | RCD |
ΔrH° | 28.0 | kcal/mol | HPMS | Guo, Purnell, et al., 1990 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 31.2 | cal/mol*K | HPMS | Guo, Purnell, et al., 1990 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
15.7 | 298. | IMRE | McMahon and Ohanessian, 2000 | Anchor alanine=39.89; RCD |
By formula: C9H13N+ + C6H6 = (C9H13N+ • C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.2 | 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° | 26. | 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 |
---|---|---|---|---|
2.6 | 331. | PHPMS | Meot-Ner (Mautner) and El-Shall, 1986 | gas phase; Entropy change calculated or estimated; M |
By formula: C7H9N+ + C6H6 = (C7H9N+ • C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.3 | 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° | 26. | cal/mol*K | N/A | Meot-Ner (Mautner) and El-Shall, 1986 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.6 | kcal/mol | PHPMS | Meot-Ner (Mautner) and El-Shall, 1986 | gas phase; Entropy change calculated or estimated; M |
By formula: C8H11N+ + C6H6 = (C8H11N+ • C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.0 | 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° | 26. | cal/mol*K | N/A | Meot-Ner (Mautner) and El-Shall, 1986 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.2 | kcal/mol | PHPMS | Meot-Ner (Mautner) and El-Shall, 1986 | gas phase; Entropy change calculated or estimated; M |
By formula: C10H10Fe+ + C6H6 = (C10H10Fe+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8. | kcal/mol | PHPMS | Meot-Ner (Mautner), 1989 | gas phase; Entropy change calculated or estimated, ΔrH<, DG<; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | N/A | Meot-Ner (Mautner), 1989 | gas phase; Entropy change calculated or estimated, ΔrH<, DG<; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.0 | 252. | PHPMS | Meot-Ner (Mautner), 1989 | gas phase; Entropy change calculated or estimated, ΔrH<, DG<; M |
By formula: (Co+ • C6H6) + C6H6 = (Co+ • 2C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 39.9 ± 3.3 | kcal/mol | CIDT | Meyer, Khan, et al., 1995 | RCD |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.8 | cal/mol*K | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrS(490 K); M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
39.9 (+3.2,-0.) | CID | Meyer, Khan, et al., 1995 | gas phase; guided ion beam CID; M | |
27.0 (+1.0,-0.) | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrS(490 K); M |
By formula: C7H8+ + C6H6 = (C7H8+ • C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.2 | kcal/mol | MPI | Ernstberger, Krause, et al., 1990 | gas phase; M |
ΔrH° | 5.5 | kcal/mol | PI | Ruhl, Bisling, et al., 1986 | gas phase; from vIP of perpendicular dimer; M |
ΔrH° | 12.4 | kcal/mol | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26. | cal/mol*K | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; M |
By formula: C2H7O+ + C6H6 = (C2H7O+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21. | kcal/mol | PHPMS | Deakyne and Meot-Ner (Mautner), 1985 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | N/A | Deakyne and Meot-Ner (Mautner), 1985 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
8.7 | 491. | PHPMS | Deakyne and Meot-Ner (Mautner), 1985 | gas phase; Entropy change calculated or estimated; M |
By formula: (K+ • C6H6 • H2O) + C6H6 = (K+ • 2C6H6 • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.4 | kcal/mol | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; From thermochemical cycle,switching reaction(K+ 3H2O)C6H6, Searles and Kebarle, 1969; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 30.1 | cal/mol*K | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; From thermochemical cycle,switching reaction(K+ 3H2O)C6H6, Searles and Kebarle, 1969; M |
By formula: (K+ • 2H2O • C6H6) + H2O = (K+ • 3H2O • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.8 | kcal/mol | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; From thermochemical cycle,switching reaction(K+)4H2O; Searles and Kebarle, 1969; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.3 | cal/mol*K | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; From thermochemical cycle,switching reaction(K+)4H2O; Searles and Kebarle, 1969; M |
By formula: (K+ • H2O • C6H6) + H2O = (K+ • 2H2O • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.7 | kcal/mol | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; From thermochemical cycle,switching reaction(K+)3H2O; Searles and Kebarle, 1969; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.4 | cal/mol*K | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; From thermochemical cycle,switching reaction(K+)3H2O; Searles and Kebarle, 1969; M |
By formula: I- + C6H6 = (I- • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.1 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 9.1 ± 1.0 | kcal/mol | TDAs | Caldwell, Masucci, et al., 1989 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 14.2 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.8 ± 2.6 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
By formula: C3H3+ + C6H6 = (C3H3+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.0 | kcal/mol | HPMS | Field, Hamlet, et al., 1969 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 9. | cal/mol*K | HPMS | Field, Hamlet, et al., 1969 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6. | kcal/mol | HPMS | Field, Hamlet, et al., 1969 | gas phase; Entropy change is questionable; M |
By formula: (K+ • H2O • 2C6H6) + H2O = (K+ • 2H2O • 2C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.2 | kcal/mol | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; From thermochemical cycle(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.4 | cal/mol*K | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; From thermochemical cycle(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M |
By formula: (C6H6+ • 2C6H6) + C6H6 = (C6H6+ • 3C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.0 | kcal/mol | PHPMS | Hiraoka, Fujimaki, et al., 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | N/A | Hiraoka, Fujimaki, et al., 1991 | gas phase; Entropy change calculated or estimated; M |
By formula: (K+ • C6H6 • 2H2O) + C6H6 = (K+ • 2C6H6 • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.8 | kcal/mol | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; switching reaction(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 33.7 | cal/mol*K | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; switching reaction(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M |
By formula: Cr+ + C6H6 = (Cr+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 40.2 | kcal/mol | MID | Lin, Chen, et al., 1997 | RCD |
ΔrH° | 39.2 ± 3.3 | kcal/mol | RAK | Lin and Dunbar, 1997 | RCD |
ΔrH° | 40.6 ± 2.4 | kcal/mol | CIDT | Meyer, Khan, et al., 1995 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
40.6 (+2.3,-0.) | CID | Meyer, Khan, et al., 1995 | gas phase; guided ion beam CID; M |
By formula: (K+ • 2C6H6) + H2O = (K+ • H2O • 2C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.7 | kcal/mol | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; switching reaction(K+ 2H2O)C6H6; Searles and Kebarle, 1969; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.1 | cal/mol*K | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; switching reaction(K+ 2H2O)C6H6; Searles and Kebarle, 1969; M |
By formula: (K+ • C6H6) + H2O = (K+ • H2O • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.1 | kcal/mol | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; switching reaction(K+ C6H6)C6H6; Searles and Kebarle, 1969; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.9 | cal/mol*K | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; switching reaction(K+ C6H6)C6H6; Searles and Kebarle, 1969; M |
By formula: (K+ • 2H2O) + C6H6 = (K+ • C6H6 • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.4 | kcal/mol | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; switching reaction(K+)3H2O; Searles and Kebarle, 1969; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.3 | cal/mol*K | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; switching reaction(K+)3H2O; Searles and Kebarle, 1969; M |
By formula: (K+ • 3H2O) + C6H6 = (K+ • C6H6 • 3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.6 | kcal/mol | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; switching reaction(K+)4H2O; Searles and Kebarle, 1969; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.6 | cal/mol*K | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; switching reaction(K+)4H2O; Searles and Kebarle, 1969; M |
By formula: (K+ • H2O) + C6H6 = (K+ • C6H6 • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.8 | kcal/mol | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; switching reaction(K+)2H2O; Searles and Kebarle, 1969; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.1 | cal/mol*K | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; switching reaction(K+)2H2O; Searles and Kebarle, 1969; M |
By formula: (Cr+ • C6H6) + C6H6 = (Cr+ • 2C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 50.7 ± 9.1 | kcal/mol | RAK | Lin and Dunbar, 1997 | RCD |
ΔrH° | 55.4 ± 4.3 | kcal/mol | CIDT | Meyer, Khan, et al., 1995 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
55.3 (+4.4,-0.) | CID | Meyer, Khan, et al., 1995 | gas phase; guided ion beam CID; M |
By formula: F- + C6H6 = (F- • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.30 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.5 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.40 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B |
By formula: Mn+ + C6H6 = (Mn+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 34.4 | kcal/mol | MID | Lin, Chen, et al., 1997 | RCD |
ΔrH° | 31.8 ± 2.2 | kcal/mol | CIDT | Meyer, Khan, et al., 1995 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
31.8 (+2.1,-0.) | CID | Meyer, Khan, et al., 1995 | gas phase; guided ion beam CID; M |
By formula: V+ + C6H6 = (V+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | >55. | kcal/mol | RAK | Gapeev and Dunbar, 2002 | RCD |
ΔrH° | 55.9 ± 2.4 | kcal/mol | CIDT | Meyer, Khan, et al., 1995 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
55.8 (+2.3,-0.) | CID | Meyer, Khan, et al., 1995 | gas phase; guided ion beam CID; M |
By formula: Fe+ + C6H6 = (Fe+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 47.1 | kcal/mol | RAK | Gapeev and Dunbar, 2002 | RCD |
ΔrH° | 49.5 ± 2.9 | kcal/mol | CIDT | Meyer, Khan, et al., 1995 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
49.6 (+2.3,-0.) | CID | Meyer, Khan, et al., 1995 | gas phase; guided ion beam CID; M |
By formula: Ti+ + C6H6 = (Ti+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 50.9 | kcal/mol | RAK | Gapeev and Dunbar, 2002 | RCD |
ΔrH° | 61.9 ± 2.2 | kcal/mol | CIDT | Meyer, Khan, et al., 1995 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
61.8 (+2.1,-0.) | CID | Meyer, Khan, et al., 1995 | gas phase; guided ion beam CID; M |
By formula: (K+ • C6H6) + C6H6 = (K+ • 2C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.1 ± 1.7 | kcal/mol | CIDT | Amicangelo and Armentrout, 2000 | RCD |
ΔrH° | 18.8 | kcal/mol | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 33.9 | cal/mol*K | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; M |
By formula: C4H9+ + C6H6 = (C4H9+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 22. | kcal/mol | PHPMS | Sen Sharma, Ikuta, et al., 1982 | gas phase; forms protonated t-butylbenzene; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 49. | cal/mol*K | PHPMS | Sen Sharma, Ikuta, et al., 1982 | gas phase; forms protonated t-butylbenzene; M |
By formula: (C6H6+ • C6H6) + C6H6 = (C6H6+ • 2C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.8 ± 0.5 | kcal/mol | PHPMS | Hiraoka, Fujimaki, et al., 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.8 | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1991 | gas phase; M |
By formula: K+ + C6H6 = (K+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.5 ± 0.9 | kcal/mol | CIDT | Amicangelo and Armentrout, 2000 | RCD |
ΔrH° | 19.2 | kcal/mol | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.6 | cal/mol*K | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; M |
By formula: C6H7N+ + C6H6 = (C6H7N+ • C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.9 | kcal/mol | PHPMS | Meot-Ner (Mautner) and El-Shall, 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.6 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and El-Shall, 1986 | gas phase; M |
By formula: C11H10+ + C6H6 = (C11H10+ • C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.0 | kcal/mol | PHPMS | El-Shall and Meot-Ner (Mautner), 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.0 | cal/mol*K | PHPMS | El-Shall and Meot-Ner (Mautner), 1987 | gas phase; M |
By formula: C6H5Cl+ + C6H6 = (C6H5Cl+ • C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.0 | kcal/mol | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26. | cal/mol*K | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; M |
By formula: C9H12+ + C6H6 = (C9H12+ • C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.6 | kcal/mol | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26. | cal/mol*K | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; M |
By formula: NO- + C6H6 = (NO- • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 41.1 | 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: (Fe+ • C6H6) + C6H6 = (Fe+ • 2C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 44.7 ± 3.8 | kcal/mol | CIDT | Meyer, Khan, et al., 1995 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
44.7 (+3.9,-0.) | CID | Meyer, Khan, et al., 1995 | gas phase; guided ion beam CID; M |
By formula: (Ti+ • C6H6) + C6H6 = (Ti+ • 2C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 60.5 ± 4.3 | kcal/mol | CIDT | Meyer, Khan, et al., 1995 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
60.4 (+4.4,-0.) | CID | Meyer, Khan, et al., 1995 | gas phase; guided ion beam CID; M |
By formula: (Mn+ • C6H6) + C6H6 = (Mn+ • 2C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 48.5 ± 3.8 | kcal/mol | CIDT | Meyer, Khan, et al., 1995 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
48.4 (+3.9,-0.) | CID | Meyer, Khan, et al., 1995 | gas phase; guided ion beam CID; M |
By formula: (Ni+ • C6H6) + C6H6 = (Ni+ • 2C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 35.1 ± 2.9 | kcal/mol | CIDT | Meyer, Khan, et al., 1995 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
35.1 (+2.8,-0.) | CID | Meyer, Khan, et al., 1995 | gas phase; guided ion beam CID; M |
By formula: (Cu+ • C6H6) + C6H6 = (Cu+ • 2C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 37.0 ± 2.9 | kcal/mol | CIDT | Meyer, Khan, et al., 1995 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
37.1 (+2.8,-0.) | CID | Meyer, Khan, et al., 1995 | gas phase; guided ion beam CID; M |
(CAS Reg. No. 79431-04-2 • 4294967295) +
= CAS Reg. No. 79431-04-2
By formula: (CAS Reg. No. 79431-04-2 • 4294967295C6H6) + C6H6 = CAS Reg. No. 79431-04-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.5 ± 4.2 | kcal/mol | Ther | Lee and Squires, 1986 | gas phase; Between SiH4, tBuOH; value altered from reference due to change in acidity scale; B |
By formula: Ni+ + C6H6 = (Ni+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 58.1 ± 2.6 | kcal/mol | CIDT | Meyer, Khan, et al., 1995 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
58.1 (+2.5,-0.) | CID | Meyer, Khan, et al., 1995 | gas phase; guided ion beam CID; M |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data 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)
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
View reactions leading to C6H6+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 9.24378 ± 0.00007 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 179.3 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 173.4 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Proton affinity at 298K
Proton affinity (kcal/mol) | Reference | Comment |
---|---|---|
178.4 | Aue, Guidoni, et al., 2000 | Experimental literature data re-evaluated by the authors using ab initio protonation entropies; MM |
Gas basicity at 298K
Gas basicity (review) (kcal/mol) | Reference | Comment |
---|---|---|
172.5 | Aue, Guidoni, et al., 2000 | Experimental literature data re-evaluated by the authors using ab initio protonation entropies; MM |
Ionization energy determinations
Appearance energy determinations
De-protonation reactions
C6H5- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 401.22 ± 0.50 | kcal/mol | G+TS | Davico, Bierbaum, et al., 1995 | gas phase; Revised per Ervin and DeTuro, 2002 change in NH3 acidity. Alecu, Gao, et al., 2007 using thermal methods, agrees with this BDE: 112.8±0.6; value altered from reference due to change in acidity scale; B |
ΔrH° | 401.16 ± 0.21 | kcal/mol | D-EA | Gunion, Gilles, et al., 1992 | gas phase; B |
ΔrH° | 400.7 ± 2.5 | kcal/mol | TDEq | Meot-ner and Sieck, 1986 | gas phase; B |
ΔrH° | 401. ± 10. | kcal/mol | CIDT | Graul and Squires, 1990 | gas phase; B |
ΔrH° | 398.0 ± 5.6 | kcal/mol | G+TS | Bohme and Young, 1971 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 392.40 ± 0.40 | kcal/mol | IMRE | Davico, Bierbaum, et al., 1995 | gas phase; Revised per Ervin and DeTuro, 2002 change in NH3 acidity. Alecu, Gao, et al., 2007 using thermal methods, agrees with this BDE: 112.8±0.6; value altered from reference due to change in acidity scale; B |
ΔrG° | 390.9 ± 2.0 | kcal/mol | TDEq | Meot-ner and Sieck, 1986 | gas phase; B |
ΔrG° | 390.1 ± 6.5 | kcal/mol | IMRB | Bartmess and McIver Jr., 1979 | gas phase; B |
ΔrG° | 389.2 ± 5.5 | kcal/mol | IMRB | Bohme and Young, 1971 | gas phase; B |
Ion clustering data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
RCD - Robert C. Dunbar
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
By formula: Ag+ + C6H6 = (Ag+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 37.3 ± 1.7 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
ΔrH° | 39.9 ± 4.5 | kcal/mol | RAK | Ho, Yang, et al., 1997 | RCD |
By formula: (Ag+ • C6H6) + C6H6 = (Ag+ • 2C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 39.9 ± 4.5 | kcal/mol | RAK | Ho, Yang, et al., 1997 | RCD |
By formula: Al+ + C6H6 = (Al+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 35.1 ± 1.9 | kcal/mol | RAK | Dunbar, Klippenstein, et al., 1996 | RCD |
By formula: Au+ + C6H6 = (Au+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 70.0 | kcal/mol | IMRB | Schroeder, Hrusak, et al., 1995 | RCD |
By formula: Bi+ + C6H6 = (Bi+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | <35.5 | kcal/mol | PDis | Willey, Yeh, et al., 1992 | RCD |
By formula: Br- + C6H6 = (Br- • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.0 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.0 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 17. | cal/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.5 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; B |
ΔrG° | 3.9 ± 2.6 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
0.0 | 423. | PHPMS | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
By formula: CH6N+ + C6H6 = (CH6N+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.8 | kcal/mol | PHPMS | Deakyne and Meot-Ner (Mautner), 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.1 | cal/mol*K | PHPMS | Deakyne and Meot-Ner (Mautner), 1985 | gas phase; M |
By formula: C2H7O+ + C6H6 = (C2H7O+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21. | kcal/mol | PHPMS | Deakyne and Meot-Ner (Mautner), 1985 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | N/A | Deakyne and Meot-Ner (Mautner), 1985 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
8.7 | 491. | PHPMS | Deakyne and Meot-Ner (Mautner), 1985 | gas phase; Entropy change calculated or estimated; M |
By formula: C3H3+ + C6H6 = (C3H3+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.0 | kcal/mol | HPMS | Field, Hamlet, et al., 1969 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 9. | cal/mol*K | HPMS | Field, Hamlet, et al., 1969 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6. | kcal/mol | HPMS | Field, Hamlet, et al., 1969 | gas phase; Entropy change is questionable; M |
By formula: C3H9Si+ + C6H6 = (C3H9Si+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 23.9 | kcal/mol | PHPMS | Wojtyniak and Stone, 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 34.7 | cal/mol*K | PHPMS | Wojtyniak and Stone, 1986 | gas phase; M |
By formula: C3H10N+ + C6H6 = (C3H10N+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.9 | kcal/mol | PHPMS | Deakyne and Meot-Ner (Mautner), 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.7 | cal/mol*K | PHPMS | Deakyne and Meot-Ner (Mautner), 1985 | gas phase; M |
By formula: C4H4S+ + C6H6 = (C4H4S+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13. | kcal/mol | HPMS | Field, Hamlet, et al., 1969 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | HPMS | Field, Hamlet, et al., 1969 | gas phase; M |
By formula: C4H9+ + C6H6 = (C4H9+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 22. | kcal/mol | PHPMS | Sen Sharma, Ikuta, et al., 1982 | gas phase; forms protonated t-butylbenzene; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 49. | cal/mol*K | PHPMS | Sen Sharma, Ikuta, et al., 1982 | gas phase; forms protonated t-butylbenzene; M |
By formula: C6H5Cl+ + C6H6 = (C6H5Cl+ • C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.0 | kcal/mol | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26. | cal/mol*K | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; M |
By formula: C6H6+ + C6H6 = (C6H6+ • C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14. ± 8. | kcal/mol | AVG | N/A | Average of 7 out of 10 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28.8 | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1991 | gas phase; M |
ΔrS° | 27. | cal/mol*K | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; M |
ΔrS° | 23. | cal/mol*K | HPMS | Field, Hamlet, et al., 1969 | gas phase; M |
By formula: (C6H6+ • C6H6) + C6H6 = (C6H6+ • 2C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.8 ± 0.5 | kcal/mol | PHPMS | Hiraoka, Fujimaki, et al., 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.8 | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1991 | gas phase; M |
By formula: (C6H6+ • 2C6H6) + C6H6 = (C6H6+ • 3C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.0 | kcal/mol | PHPMS | Hiraoka, Fujimaki, et al., 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | N/A | Hiraoka, Fujimaki, et al., 1991 | gas phase; Entropy change calculated or estimated; M |
By formula: (C6H6+ • 5C6H6) + C6H6 = (C6H6+ • 6C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.5 | kcal/mol | PDiss | Beck and Hecht, 1991 | gas phase; M |
By formula: (C6H6+ • 6C6H6) + C6H6 = (C6H6+ • 7C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.3 | kcal/mol | PDiss | Beck and Hecht, 1991 | gas phase; M |
By formula: (C6H6+ • 7C6H6) + C6H6 = (C6H6+ • 8C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.0 | kcal/mol | PDiss | Beck and Hecht, 1991 | gas phase; M |
By formula: (C6H6+ • 8C6H6) + C6H6 = (C6H6+ • 9C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.9 | kcal/mol | PDiss | Beck and Hecht, 1991 | gas phase; M |
By formula: (C6H6+ • 9C6H6) + C6H6 = (C6H6+ • 10C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.8 | kcal/mol | PDiss | Beck and Hecht, 1991 | gas phase; M |
By formula: (C6H6+ • 10C6H6) + C6H6 = (C6H6+ • 11C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.8 | kcal/mol | PDiss | Beck and Hecht, 1991 | gas phase; M |
By formula: (C6H6+ • 11C6H6) + C6H6 = (C6H6+ • 12C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.0 | kcal/mol | PDiss | Beck and Hecht, 1991 | gas phase; M |
By formula: (C6H6+ • 12C6H6) + C6H6 = (C6H6+ • 13C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.3 | kcal/mol | PDiss | Beck and Hecht, 1991 | gas phase; M |
By formula: (C6H6+ • 13C6H6) + C6H6 = (C6H6+ • 14C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.1 | kcal/mol | PDiss | Beck and Hecht, 1991 | gas phase; M |
By formula: C6H6NO- + 2C6H6 = C12H12NO-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.5 ± 2.3 | kcal/mol | N/A | Le Barbu, Schiedt, et al., 2002 | gas phase; Affinity is difference in EAs of lesser solvated species; B |
By formula: C6H7+ + C6H6 = (C6H7+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.0 | kcal/mol | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24. | cal/mol*K | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; M |
By formula: C6H7N+ + C6H6 = (C6H7N+ • C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.9 | kcal/mol | PHPMS | Meot-Ner (Mautner) and El-Shall, 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.6 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and El-Shall, 1986 | gas phase; M |
By formula: C7H8+ + C6H6 = (C7H8+ • C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.2 | kcal/mol | MPI | Ernstberger, Krause, et al., 1990 | gas phase; M |
ΔrH° | 5.5 | kcal/mol | PI | Ruhl, Bisling, et al., 1986 | gas phase; from vIP of perpendicular dimer; M |
ΔrH° | 12.4 | kcal/mol | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26. | cal/mol*K | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; M |
By formula: C7H9N+ + C6H6 = (C7H9N+ • C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.3 | 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° | 26. | cal/mol*K | N/A | Meot-Ner (Mautner) and El-Shall, 1986 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.6 | kcal/mol | PHPMS | Meot-Ner (Mautner) and El-Shall, 1986 | gas phase; Entropy change calculated or estimated; M |
By formula: C8H11N+ + C6H6 = (C8H11N+ • C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.0 | 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° | 26. | cal/mol*K | N/A | Meot-Ner (Mautner) and El-Shall, 1986 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.2 | kcal/mol | PHPMS | Meot-Ner (Mautner) and El-Shall, 1986 | gas phase; Entropy change calculated or estimated; M |
By formula: C9H12+ + C6H6 = (C9H12+ • C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.6 | kcal/mol | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26. | cal/mol*K | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; M |
By formula: C9H13N+ + C6H6 = (C9H13N+ • C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.2 | 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° | 26. | 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 |
---|---|---|---|---|
2.6 | 331. | PHPMS | Meot-Ner (Mautner) and El-Shall, 1986 | gas phase; Entropy change calculated or estimated; M |
By formula: C10H10Fe+ + C6H6 = (C10H10Fe+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8. | kcal/mol | PHPMS | Meot-Ner (Mautner), 1989 | gas phase; Entropy change calculated or estimated, ΔrH<, DG<; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | N/A | Meot-Ner (Mautner), 1989 | gas phase; Entropy change calculated or estimated, ΔrH<, DG<; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.0 | 252. | PHPMS | Meot-Ner (Mautner), 1989 | gas phase; Entropy change calculated or estimated, ΔrH<, DG<; M |
By formula: C11H10+ + C6H6 = (C11H10+ • C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.0 | kcal/mol | PHPMS | El-Shall and Meot-Ner (Mautner), 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.0 | cal/mol*K | PHPMS | El-Shall and Meot-Ner (Mautner), 1987 | gas phase; M |
By formula: Cd+ + C6H6 = (Cd+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 32.5 ± 4.5 | kcal/mol | RAK | Ho, Yang, et al., 1997 | RCD |
By formula: Cl- + C6H6 = (Cl- • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.00 ± 0.46 | kcal/mol | N/A | Tschurl, Ueberfluss, et al., 2007 | gas phase; B |
ΔrH° | 9.4 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 9.90 | kcal/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,M |
ΔrH° | 8.7 | kcal/mol | PHPMS | Paul and Kebarle, 1991 | gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M |
ΔrH° | 10.4 | kcal/mol | PHPMS | Sunner, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.9 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 17. | cal/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M |
ΔrS° | 17.1 | cal/mol*K | N/A | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M |
ΔrS° | 22. | cal/mol*K | N/A | Sunner, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.0 ± 2.6 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 3.8 ± 1.6 | kcal/mol | IMRE | Chowdhury and Kebarle, 1986 | gas phase; B |
ΔrG° | 4.8 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,M |
ΔrG° | 3.80 | kcal/mol | IMRE | French, Ikuta, et al., 1982 | gas phase; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.6 | 300. | PHPMS | Paul and Kebarle, 1991 | gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M |
3.8 | 300. | PHPMS | Chowdhury and Kebarle, 1986 | gas phase; M |
3.8 | 300. | PHPMS | Sunner, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated; M |
By formula: Co+ + C6H6 = (Co+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 61.2 ± 2.6 | kcal/mol | CIDT | Meyer, Khan, et al., 1995 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
61.1 (+2.5,-0.) | CID | Meyer, Khan, et al., 1995 | gas phase; guided ion beam CID; M |
By formula: (Co+ • C6H6) + C6H6 = (Co+ • 2C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 39.9 ± 3.3 | kcal/mol | CIDT | Meyer, Khan, et al., 1995 | RCD |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.8 | cal/mol*K | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrS(490 K); M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
39.9 (+3.2,-0.) | CID | Meyer, Khan, et al., 1995 | gas phase; guided ion beam CID; M | |
27.0 (+1.0,-0.) | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrS(490 K); M |
By formula: Cr+ + C6H6 = (Cr+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 40.2 | kcal/mol | MID | Lin, Chen, et al., 1997 | RCD |
ΔrH° | 39.2 ± 3.3 | kcal/mol | RAK | Lin and Dunbar, 1997 | RCD |
ΔrH° | 40.6 ± 2.4 | kcal/mol | CIDT | Meyer, Khan, et al., 1995 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
40.6 (+2.3,-0.) | CID | Meyer, Khan, et al., 1995 | gas phase; guided ion beam CID; M |
By formula: (Cr+ • C6H6) + C6H6 = (Cr+ • 2C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 50.7 ± 9.1 | kcal/mol | RAK | Lin and Dunbar, 1997 | RCD |
ΔrH° | 55.4 ± 4.3 | kcal/mol | CIDT | Meyer, Khan, et al., 1995 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
55.3 (+4.4,-0.) | CID | Meyer, Khan, et al., 1995 | gas phase; guided ion beam CID; M |
By formula: Cs+ + C6H6 = (Cs+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.4 ± 1.2 | kcal/mol | CIDT | Amicangelo and Armentrout, 2000 | RCD |
By formula: (Cs+ • C6H6) + C6H6 = (Cs+ • 2C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.0 ± 1.9 | kcal/mol | CIDT | Amicangelo and Armentrout, 2000 | RCD |
By formula: Cu+ + C6H6 = (Cu+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 52.1 ± 2.4 | kcal/mol | CIDT | Meyer, Khan, et al., 1995 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
52.1 (+2.3,-0.) | CID | Meyer, Khan, et al., 1995 | gas phase; guided ion beam CID; M |
By formula: (Cu+ • C6H6) + C6H6 = (Cu+ • 2C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 37.0 ± 2.9 | kcal/mol | CIDT | Meyer, Khan, et al., 1995 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
37.1 (+2.8,-0.) | CID | Meyer, Khan, et al., 1995 | gas phase; guided ion beam CID; M |
By formula: F- + C6H6 = (F- • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.30 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.5 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.40 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B |
By formula: Fe+ + C6H6 = (Fe+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 47.1 | kcal/mol | RAK | Gapeev and Dunbar, 2002 | RCD |
ΔrH° | 49.5 ± 2.9 | kcal/mol | CIDT | Meyer, Khan, et al., 1995 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
49.6 (+2.3,-0.) | CID | Meyer, Khan, et al., 1995 | gas phase; guided ion beam CID; M |
By formula: (Fe+ • C6H6) + C6H6 = (Fe+ • 2C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 44.7 ± 3.8 | kcal/mol | CIDT | Meyer, Khan, et al., 1995 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
44.7 (+3.9,-0.) | CID | Meyer, Khan, et al., 1995 | gas phase; guided ion beam CID; M |
By formula: H4N+ + C6H6 = (H4N+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.3 | kcal/mol | PHPMS | Deakyne and Meot-Ner (Mautner), 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.3 | cal/mol*K | PHPMS | Deakyne and Meot-Ner (Mautner), 1985 | gas phase; M |
By formula: (H4N+ • C6H6) + C6H6 = (H4N+ • 2C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.0 | kcal/mol | PHPMS | Liebman, Romm, et al., 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 30.5 | cal/mol*K | PHPMS | Liebman, Romm, et al., 1991 | gas phase; M |
By formula: (H4N+ • 2C6H6) + C6H6 = (H4N+ • 3C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.2 | kcal/mol | PHPMS | Liebman, Romm, et al., 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 32.9 | cal/mol*K | PHPMS | Liebman, Romm, et al., 1991 | gas phase; M |
By formula: I- + C6H6 = (I- • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.1 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 9.1 ± 1.0 | kcal/mol | TDAs | Caldwell, Masucci, et al., 1989 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 14.2 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.8 ± 2.6 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
By formula: K+ + C6H6 = (K+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.5 ± 0.9 | kcal/mol | CIDT | Amicangelo and Armentrout, 2000 | RCD |
ΔrH° | 19.2 | kcal/mol | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.6 | cal/mol*K | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; M |
By formula: (K+ • C6H6) + C6H6 = (K+ • 2C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.1 ± 1.7 | kcal/mol | CIDT | Amicangelo and Armentrout, 2000 | RCD |
ΔrH° | 18.8 | kcal/mol | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 33.9 | cal/mol*K | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; M |
By formula: (K+ • 2C6H6) + C6H6 = (K+ • 3C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.5 | kcal/mol | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 32.7 | cal/mol*K | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; M |
By formula: (K+ • 3C6H6) + C6H6 = (K+ • 4C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.6 | kcal/mol | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 41.4 | cal/mol*K | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; M |
By formula: (K+ • C6H6 • H2O) + C6H6 = (K+ • 2C6H6 • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.4 | kcal/mol | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; From thermochemical cycle,switching reaction(K+ 3H2O)C6H6, Searles and Kebarle, 1969; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 30.1 | cal/mol*K | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; From thermochemical cycle,switching reaction(K+ 3H2O)C6H6, Searles and Kebarle, 1969; M |
By formula: (K+ • C6H6 • 2H2O) + C6H6 = (K+ • 2C6H6 • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.8 | kcal/mol | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; switching reaction(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 33.7 | cal/mol*K | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; switching reaction(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M |
By formula: (K+ • H2O) + C6H6 = (K+ • C6H6 • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.8 | kcal/mol | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; switching reaction(K+)2H2O; Searles and Kebarle, 1969; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.1 | cal/mol*K | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; switching reaction(K+)2H2O; Searles and Kebarle, 1969; M |
By formula: (K+ • 2H2O) + C6H6 = (K+ • C6H6 • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.4 | kcal/mol | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; switching reaction(K+)3H2O; Searles and Kebarle, 1969; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.3 | cal/mol*K | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; switching reaction(K+)3H2O; Searles and Kebarle, 1969; M |
By formula: (K+ • 3H2O) + C6H6 = (K+ • C6H6 • 3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.6 | kcal/mol | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; switching reaction(K+)4H2O; Searles and Kebarle, 1969; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.6 | cal/mol*K | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; switching reaction(K+)4H2O; Searles and Kebarle, 1969; M |
By formula: Li+ + C6H6 = (Li+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 38.5 ± 3.2 | kcal/mol | CIDT | Amicangelo and Armentrout, 2000 | RCD |
ΔrH° | 37.9 | kcal/mol | ICR | Woodin and Beauchamp, 1978 | gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 extrapolated; M |
ΔrH° | 36.5 | kcal/mol | ICR | Staley and Beauchamp, 1975 | gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.5 | cal/mol*K | N/A | Woodin and Beauchamp, 1978 | gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 extrapolated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 29.7 | kcal/mol | ICR | Woodin and Beauchamp, 1978 | gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 extrapolated; M |
By formula: (Li+ • C6H6) + C6H6 = (Li+ • 2C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 24.9 ± 1.7 | kcal/mol | CIDT | Amicangelo and Armentrout, 2000 | RCD |
By formula: Mg+ + C6H6 = (Mg+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 32.0 ± 2.3 | kcal/mol | CIDT | Andersen, Muntean, et al., 2000 | RCD |
ΔrH° | 37.0 | kcal/mol | RAK | Gapeev and Dunbar, 2000 | RCD |
By formula: Mn+ + C6H6 = (Mn+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 34.4 | kcal/mol | MID | Lin, Chen, et al., 1997 | RCD |
ΔrH° | 31.8 ± 2.2 | kcal/mol | CIDT | Meyer, Khan, et al., 1995 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
31.8 (+2.1,-0.) | CID | Meyer, Khan, et al., 1995 | gas phase; guided ion beam CID; M |
By formula: (Mn+ • C6H6) + C6H6 = (Mn+ • 2C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 48.5 ± 3.8 | kcal/mol | CIDT | Meyer, Khan, et al., 1995 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
48.4 (+3.9,-0.) | CID | Meyer, Khan, et al., 1995 | gas phase; guided ion beam CID; M |
+
= C6H6NO-
By formula: NO- + C6H6 = C6H6NO-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.5 ± 2.3 | kcal/mol | N/A | Le Barbu, Schiedt, et al., 2002 | gas phase; Affinity is difference in EAs of lesser solvated species; B |
By formula: NO- + C6H6 = (NO- • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 41.1 | 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: Na+ + C6H6 = (Na+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 22.8 ± 1.4 | kcal/mol | CIDC | Amicangelo and Armentrout, 2001 | Anchor NH3=24.41; RCD |
ΔrH° | 21.1 ± 1.2 | kcal/mol | CIDT | Amicangelo and Armentrout, 2000 | RCD |
ΔrH° | 21.1 ± 1.1 | kcal/mol | CIDT | Armentrout and Rodgers, 2000 | RCD |
ΔrH° | 28.0 | kcal/mol | HPMS | Guo, Purnell, et al., 1990 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 31.2 | cal/mol*K | HPMS | Guo, Purnell, et al., 1990 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
15.7 | 298. | IMRE | McMahon and Ohanessian, 2000 | Anchor alanine=39.89; RCD |
By formula: (Na+ • C6H6) + C6H6 = (Na+ • 2C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20. ± 1. | kcal/mol | AVG | N/A | Average of 7 values; Individual data points |
By formula: Ni+ + C6H6 = (Ni+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 58.1 ± 2.6 | kcal/mol | CIDT | Meyer, Khan, et al., 1995 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
58.1 (+2.5,-0.) | CID | Meyer, Khan, et al., 1995 | gas phase; guided ion beam CID; M |
By formula: (Ni+ • C6H6) + C6H6 = (Ni+ • 2C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 35.1 ± 2.9 | kcal/mol | CIDT | Meyer, Khan, et al., 1995 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
35.1 (+2.8,-0.) | CID | Meyer, Khan, et al., 1995 | gas phase; guided ion beam CID; M |
+
= C6H6O2-
By formula: O2- + C6H6 = C6H6O2-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.1 ± 2.3 | kcal/mol | N/A | Le Barbu, Schiedt, et al., 2002 | gas phase; Affinity is difference in EAs of lesser solvated species; B |
By formula: Pb+ + C6H6 = (Pb+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 26.2 | kcal/mol | PHPMS | Guo, Purnell, et al., 1990 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.6 | cal/mol*K | PHPMS | Guo, Purnell, et al., 1990 | gas phase; M |
By formula: Rb+ + C6H6 = (Rb+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.4 ± 0.9 | kcal/mol | CIDT | Amicangelo and Armentrout, 2000 | RCD |
By formula: (Rb+ • C6H6) + C6H6 = (Rb+ • 2C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.0 ± 1.9 | kcal/mol | CIDT | Amicangelo and Armentrout, 2000 | RCD |
By formula: Ti+ + C6H6 = (Ti+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 50.9 | kcal/mol | RAK | Gapeev and Dunbar, 2002 | RCD |
ΔrH° | 61.9 ± 2.2 | kcal/mol | CIDT | Meyer, Khan, et al., 1995 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
61.8 (+2.1,-0.) | CID | Meyer, Khan, et al., 1995 | gas phase; guided ion beam CID; M |
By formula: (Ti+ • C6H6) + C6H6 = (Ti+ • 2C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 60.5 ± 4.3 | kcal/mol | CIDT | Meyer, Khan, et al., 1995 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
60.4 (+4.4,-0.) | CID | Meyer, Khan, et al., 1995 | gas phase; guided ion beam CID; M |
By formula: V+ + C6H6 = (V+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | >55. | kcal/mol | RAK | Gapeev and Dunbar, 2002 | RCD |
ΔrH° | 55.9 ± 2.4 | kcal/mol | CIDT | Meyer, Khan, et al., 1995 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
55.8 (+2.3,-0.) | CID | Meyer, Khan, et al., 1995 | gas phase; guided ion beam CID; M |
By formula: (V+ • C6H6) + C6H6 = (V+ • 2C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 58.8 ± 4.4 | kcal/mol | CID | Meyer, Khan, et al., 1995 | gas phase; ΔrH(0k), guided ion beam CID; M,RCD |
By formula: (V- • C6H5F) + C6H6 = (V- • C6H6 • C6H5F)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3. ± 15. | kcal/mol | N/A | Judai, Hirano, et al., 1997 | gas phase; B |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, References, Notes
Data compiled by: Coblentz Society, Inc.
- GAS (70 mmHg, N2 ADDED, TOTAL PRESSURE 600 mmHg); DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH II) FROM HARD COPY; 2 cm-1 resolution
- SOLUTION (10% IN CCl4 FOR 3800-1300, 10% IN CS2 FOR 1300-625, AND 10% IN CCl4 FOR 625-240 CM-1) VS. SOLVENT; PERKIN-ELMER 521 (GRATING); DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Data compiled by: Pamela M. Chu, Franklin R. Guenther, George C. Rhoderick, and Walter J. Lafferty
- gas; IFS66V (Bruker); 3-Term B-H Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Boxcar Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Happ Genzel Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); NB Strong Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Triangular Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | NIST Mass Spectrometry Data Center, 1990. |
NIST MS number | 114388 |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Takehiko Shimanouchi
Symmetry: D6h Symmetry Number σ = 12
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
a1g | 1 | CH str | 3062 | C | ia | 3061.9 VS p | liq. | |||
a1g | 2 | Ring str | 992 | C | ia | 991.6 VS p | liq. | |||
a2g | 3 | CH bend | 1326 | E | ia | 1326 VW | liq. | |||
a2u | 4 | CH bend | 673 | B | 673 S | gas | ia | |||
b1u | 5 | CH str | 3068 | C | 3067.57 VW | sln. | ia | |||
b1u | 6 | Ring deform | 1010 | C | 1010 W | sln. | ia | |||
b2g | 7 | CH bend | 995 | E | ia | ia | OC(ν19+ν7,ν20+ν7) | |||
b2g | 8 | Ring deform | 703 | E | ia | ia | OC(ν19+ν8, ν20+ν8) | |||
b2u | 9 | Ring str | 1310 | C | 1310 W | liq. | ia | |||
b2u | 10 | CH bend | 1150 | C | 1150 W | liq. | ia | |||
e1g | 11 | CH bend | 849 | C | ia | 848.9 M dp | liq. | |||
e1u | 12 | CH str | 3063 | E | 3080 S | liq. | ia | FR(ν13+ν16) | ||
e1u | 12 | CH str | 3063 | E | 3030 S | liq. | ia | FR(ν13+ν16) | ||
e1u | 13 | Ring str + deform | 1486 | B | 1486 S | gas | ia | |||
e1u | 14 | CH bend | 1038 | B | 1038 S | gas | ia | |||
e2g | 15 | CH str | 3047 | C | ia | 3046.8 S dp | liq. | |||
e2g | 16 | Ring str | 1596 | E | ia | 1606.4 S dp | liq. | FR(ν2+ν18) | ||
e2g | 16 | Ring str | 1596 | E | ia | 1584.6 S dp | liq. | FR(ν2+ν18) | ||
e2g | 17 | CH bend | 1178 | C | ia | 1178.0 S dp | liq. | |||
e2g | 18 | Ring deform | 606 | C | ia | 605.6 S dp | liq. | |||
e2u | 19 | CH bend | 975 | C | 975 W | liq. | ia | |||
e2u | 20 | Ring deform | 410 | C | 417.7 S | sln. | ia | |||
e2u | 20 | Ring deform | 410 | C | 403.0 S | sln. | ia | |||
Source: Shimanouchi, 1972
Notes
VS | Very strong |
S | Strong |
M | Medium |
W | Weak |
VW | Very weak |
ia | Inactive |
p | Polarized |
dp | Depolarized |
FR | Fermi resonance with an overtone or a combination tone indicated in the parentheses. |
OC | Frequency estimated from an overtone or a combination tone indicated in the parentheses. |
B | 1~3 cm-1 uncertainty |
C | 3~6 cm-1 uncertainty |
E | 15~30 cm-1 uncertainty |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: 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 | RTX-5 | 100. | 685. | Ádámová, Orinák, et al., 2005 | 30. m/0.25 mm/0.25 μm, N2 |
Capillary | RTX-5 | 120. | 694.74 | Ádámová, Orinák, et al., 2005 | 30. m/0.25 mm/0.25 μm, N2 |
Capillary | RTX-5 | 60. | 672.74 | Ádámová, Orinák, et al., 2005 | 30. m/0.25 mm/0.25 μm, N2 |
Capillary | RTX-5 | 80. | 674.03 | Ádámová, Orinák, et al., 2005 | 30. m/0.25 mm/0.25 μm, N2 |
Capillary | HP-1 | 0. | 651.1 | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Capillary | HP-1 | 10. | 648.9 | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Capillary | HP-1 | 20. | 657.6 | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Capillary | HP-1 | 30. | 650.2 | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Capillary | HP-1 | 40. | 646.8 | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Capillary | HP-1 | 50. | 645. | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Capillary | HP-1 | 60. | 652.6 | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Packed | SE-30 | 160. | 638. | Kurbatova, Finkelstein, et al., 2004 | Chromaton N-AW; Column length: 1. m |
Capillary | HP-5 | 100. | 678.8 | Pérez-Parajón, Santiuste, et al., 2004 | 60. m/0.25 mm/0.25 μm |
Capillary | HP-5 | 120. | 683.3 | Pérez-Parajón, Santiuste, et al., 2004 | 60. m/0.25 mm/0.25 μm |
Capillary | Squalane | 70. | 641.51 | Soják, 2004 | H2 |
Capillary | Squalane | 70. | 641.45 | Soják, 2004 | N2 |
Capillary | Squalane | 70. | 641.96 | Soják, 2004 | N2 |
Capillary | DB-1 | 313. | 649.89 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-1 | 323. | 651.77 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-1 | 333. | 653.93 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-1 | 343. | 656.09 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-1 | 353. | 658.35 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-1 | 363. | 660.36 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-1 | 373. | 663.60 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-1 | 383. | 664.40 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-1 | 393. | 666.96 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-1 | 403. | 670.44 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-1 | 413. | 672.02 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-1 | 423. | 674.86 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-5 | 313. | 666.03 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-5 | 323. | 667.42 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-5 | 333. | 669.56 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-5 | 343. | 671.74 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-5 | 353. | 673.50 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-5 | 363. | 675.70 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-5 | 373. | 677.75 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-5 | 383. | 680.27 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-5 | 393. | 681.27 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-5 | 403. | 683.59 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-5 | 413. | 685.29 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-5 | 423. | 687.79 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Packed | OV-1 | 130. | 672. | Gurevich and Roshchina, 2003 | He or N2, Gas-Chrom Q |
Capillary | SE-30 | 160. | 684.6 | Santiuste, Harangi, et al., 2003 | |
Capillary | HP-5 | 120. | 682.5 | Santiuste, Harangi, et al., 2003 | |
Capillary | HP-5 | 120. | 676. | Santiuste J.M. and Takacs J.M., 2003 | 60. m/0.25 mm/0.25 μm, N2 |
Capillary | HP-5 | 140. | 686.4 | Santiuste J.M. and Takacs J.M., 2003 | 60. m/0.25 mm/0.25 μm, N2 |
Capillary | Methyl Silicone | 150. | 670.45 | Berezkin, Korolev, et al., 2002 | He; Column length: 15. m; Column diameter: 0.24 mm |
Capillary | Squalane | 50. | 636.6 | Wick, Siepmann, et al., 2002 | 30. m/0.25 mm/0.25 μm, He |
Capillary | Squalane | 60. | 639.1 | Wick, Siepmann, et al., 2002 | 30. m/0.25 mm/0.25 μm, He |
Capillary | Squalane | 70. | 641.7 | Wick, Siepmann, et al., 2002 | 30. m/0.25 mm/0.25 μm, He |
Capillary | Squalane | 80. | 644.5 | Wick, Siepmann, et al., 2002 | 30. m/0.25 mm/0.25 μm, He |
Capillary | Squalane | 90. | 646.6 | Wick, Siepmann, et al., 2002 | 30. m/0.25 mm/0.25 μm, He |
Capillary | Squalane | 100. | 650.0 | Wick, Siepmann, et al., 2002 | 30. m/0.25 mm/0.25 μm, He |
Capillary | Squalane | 110. | 652.5 | Wick, Siepmann, et al., 2002 | 30. m/0.25 mm/0.25 μm, He |
Packed | C78, Branched paraffin | 130. | 677.2 | Dallos, Sisak, et al., 2000 | He; Column length: 3.3 m |
Capillary | HP-101 | 60. | 654.52 | Garay, 2000 | 50. m/0.2 mm/0.2 μm, H2 |
Capillary | OV-101 | 110. | 662. | Zhuravleva, 2000 | 50. m/0.3 mm/0.4 μm, He |
Capillary | Squalane | 200. | 675. | Castello, Vezzani, et al., 1999 | |
Capillary | OV-1 | 100. | 663. | Zhu, Zhang, et al., 1999 | Column length: 50. m; Column diameter: 0.25 mm |
Capillary | OV-1 | 100. | 663.0 | Zhu, Zhang, et al., 1999 | Column length: 50. m; Column diameter: 0.25 mm |
Capillary | DB-1 | 140. | 668. | Beens, Tijssen, et al., 1998 | 10. m/0.25 mm/0.25 μm, He |
Capillary | DB-1 | 60. | 654. | Dewulf, Van Langenhove, et al., 1997 | 30. m/0.53 mm/5.0 μm, He |
Capillary | OV-101 | 0. | 644. | Skrbic, 1997 | |
Capillary | OV-101 | 110. | 677. | Terenina, Zhuravieva, et al., 1997 | 50. m/0.3 mm/0.4 μm, He |
Packed | OV-101 | 100. | 663.2 | Righezza, Hassani, et al., 1996 | N2, Chromosorb G HP; Column length: 5. m |
Packed | OV-101 | 110. | 667.4 | Righezza, Hassani, et al., 1996 | N2, Chromosorb G HP; Column length: 5. m |
Packed | OV-101 | 80. | 654.7 | Righezza, Hassani, et al., 1996 | N2, Chromosorb G HP; Column length: 5. m |
Packed | OV-101 | 90. | 660.2 | Righezza, Hassani, et al., 1996 | N2, Chromosorb G HP; Column length: 5. m |
Capillary | CP Sil 2 | 60. | 649.4 | Estel, Mohnke, et al., 1995 | 100. m/0.25 mm/0.25 μm |
Capillary | CP Sil 2 | 80. | 656.3 | Estel, Mohnke, et al., 1995 | 100. m/0.25 mm/0.25 μm |
Capillary | SPB-1 | 60. | 643. | Castello, Vezzani, et al., 1994 | 30. m/0.32 mm/0.25 μm, He |
Capillary | OV-101 | 150. | 678.1 | Cha and Lee, 1994 | Column length: 20. m; Column diameter: 0.5 mm |
Capillary | OV-101 | 180. | 688.0 | Cha and Lee, 1994 | Column length: 20. m; Column diameter: 0.5 mm |
Capillary | DB-1 | 60. | 653.8 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 0.25 μm |
Capillary | PONA | 60. | 654.2 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 0.5 μm |
Capillary | PONA | 60. | 654.2 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 0.5 μm |
Capillary | DB-1 | 60. | 654.4 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 1. μm |
Capillary | OV-101 | 60. | 653.5 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 0.2 μm |
Capillary | CP Sil 5 CB | 20. | 647.2 | Do and Raulin, 1992 | 25. m/0.15 mm/2. μm, H2 |
Packed | OV-101 | 120. | 669.9 | Hassani and Meklati, 1992 | N2, Chromosorb G HP; Column length: 5. m |
Packed | Squalane | 100. | 649. | Hongwei and Zhide, 1992 | H2, Silanized white support (80-100 mesh); Column length: 3. m |
Packed | SE-30 | 120. | 666. | Kowalski, 1992 | He, Gas Chrom Q (100-120 mesh); Column length: 0.25 m |
Packed | C78, Branched paraffin | 130. | 675.0 | Reddy, Dutoit, et al., 1992 | Chromosorb G HP; Column length: 3.3 m |
Capillary | HP-1 | 60. | 655. | Zhang, Li, et al., 1992 | N2; Column length: 25. m; Column diameter: 0.20 mm |
Capillary | HP-1 | 60. | 655. | Zhang, Li, et al., 1992 | N2; Column length: 25. m; Column diameter: 0.20 mm |
Capillary | HP-1 | 100. | 664. | Zhang, Li, et al., 1992 | N2; Column length: 25. m; Column diameter: 0.20 mm |
Capillary | HP-1 | 100. | 664. | Zhang, Li, et al., 1992 | N2; Column length: 25. m; Column diameter: 0.20 mm |
Capillary | OV-1 | 100. | 663.1 | Engewald and Maurer, 1990 | Column length: 60. m; Column diameter: 0.32 mm |
Capillary | OV-1 | 120. | 670.7 | Engewald and Maurer, 1990 | Column length: 60. m; Column diameter: 0.32 mm |
Capillary | OV-101 | 100. | 663. | Dimov and Mekenyan, 1989 | Column length: 50. m; Column diameter: 0.25 mm |
Capillary | OV-1 | 45. | 651.3 | Guan, Kiraly, et al., 1989 | 20. m/0.32 mm/1.2 μm, He |
Capillary | OV-1 | 65. | 655.4 | Guan, Kiraly, et al., 1989 | 20. m/0.32 mm/1.2 μm, He |
Capillary | OV-1 | 45. | 651.4 | Guan, Kiraly, et al., 1989 | 25. m/0.31 mm/0.52 μm, He |
Capillary | OV-1 | 65. | 655.8 | Guan, Kiraly, et al., 1989 | 25. m/0.31 mm/0.52 μm, He |
Capillary | Squalane | 50. | 637.2 | Guan, Kiraly, et al., 1989 | 50. m/0.22 mm/0.21 μm, He |
Capillary | Squalane | 70. | 641.8 | Guan, Kiraly, et al., 1989 | 50. m/0.22 mm/0.21 μm, He |
Capillary | SE-54 | 45. | 666.5 | Guan, Kiraly, et al., 1989 | 25. m/0.31 mm/0.52 μm, He |
Capillary | SE-54 | 65. | 667.4 | Guan, Kiraly, et al., 1989 | 25. m/0.31 mm/0.52 μm, He |
Packed | Squalane | 70. | 645. | Safina, Poznyak, et al., 1989 | He, Risorb (0.2-0.3 mm); Column length: 2. m |
Capillary | HP-1 | 60. | 654. | Bangjie, Yijian, et al., 1988 | N2; Column length: 25. m; Column diameter: 0.20 mm |
Capillary | HP-1 | 60. | 655. | Bangjie, Yijian, et al., 1988 | N2; Column length: 25. m; Column diameter: 0.20 mm |
Capillary | OV-101 | 40. | 649. | Laub and Purnell, 1988 | |
Capillary | OV-101 | 60. | 653. | Laub and Purnell, 1988 | |
Capillary | OV-101 | 80. | 658. | Laub and Purnell, 1988 | |
Capillary | Squalane | 50. | 637. | Lunskii and Paizanskaya, 1988 | He; Column length: 50. m; Column diameter: 0.22 mm |
Capillary | Squalane | 70. | 641.4 | Lunskii and Paizanskaya, 1988 | He; Column length: 50. m; Column diameter: 0.22 mm |
Capillary | SE-30 | 110. | 662. | Samusenko and Golovnya, 1988 | 25. m/0.32 mm/1. μm, He |
Capillary | SE-30 | 80. | 661. | Samusenko and Golovnya, 1988 | 25. m/0.32 mm/1. μm, He |
Capillary | PoraPLOT Q | 200. | 630. | de Zeeuw, de Nijs, et al., 1988 | H2; Column length: 25. m; Column diameter: 0.53 mm |
Capillary | PoraPLOT Q | 200. | 650. | de Zeeuw, de Nijs, et al., 1988 | H2; Column length: 25. m; Column diameter: 0.53 mm |
Capillary | OV-101 | 100. | 664. | Engewald, Topalova, et al., 1987 | Column length: 50. m; Column diameter: 0.30 mm |
Packed | Apolane | 150. | 687. | Evans and Haken, 1987 | He, Chromosorb G AW DCMS; Column length: 3.7 m |
Packed | OV-101 | 120. | 672. | Fernández-Sánchez, Fernández-Torres, et al., 1987 | N2, Chromosorb W AW DMCS (80-100 mesh); Column length: 2. m |
Packed | Squalane | 80. | 646. | Fernández-Sánchez, García-Domínguez, et al., 1987 | H2 |
Packed | Squalane | 80. | 642. | Kersten and Poole, 1987 | N2; Column length: 3.5 m |
Capillary | Squalane | 100. | 651. | Nabivach and Vasiliev, 1987 | |
Capillary | OV-101 | 40. | 652.1 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
Capillary | OV-101 | 50. | 654.1 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
Capillary | OV-101 | 60. | 656.0 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
Capillary | OV-101 | 70. | 658.3 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
Packed | Apolane | 150. | 687. | Haken and Vernon, 1986 | Chromosorb G AW DCMS; Column length: 3.7 m |
Packed | SE-30 | 180. | 681. | Oszczapowicz, Osek, et al., 1985 | N2, Chromosorb A AW; Column length: 3. m |
Packed | SE-30 | 42. | 655. | Rudenko, Mal'tsev, et al., 1985 | Column length: 3. m |
Packed | SE-30 | 180. | 681. | Oszczapowicz, Osek, et al., 1984 | N2, Chromosorb W AW; Column length: 3. m |
Packed | SE-30 | 120. | 668. | Stolyarov and Kartsova, 1984 | N2; Column length: 200. m |
Packed | SE-30 | 150. | 675. | Tiess, 1984 | Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m |
Packed | OV-1 | 120. | 669. | Valko, Papp, et al., 1984 | Gas Chrom Q; Column length: 2. m |
Capillary | OV-101 | 100. | 662. | Boneva, Papazova, et al., 1983 | N2; Column length: 85. m; Column diameter: 0.28 mm |
Capillary | OV-101 | 100. | 664. | Boneva, Papazova, et al., 1983 | N2; Column length: 85. m; Column diameter: 0.28 mm |
Capillary | OV-101 | 100. | 662. | Boneva, Papazova, et al., 1983 | N2; Column length: 85. m; Column diameter: 0.28 mm |
Capillary | OV-101 | 110. | 664. | Boneva, Papazova, et al., 1983 | N2; Column length: 85. m; Column diameter: 0.28 mm |
Packed | Apolane | 100. | 670. | Castello and D'Amato, 1983 | He, Chromosorb G; Column length: 3. m |
Packed | Squalane | 100. | 647. | Castello and D'Amato, 1983 | He, Chromosorb G; Column length: 3. m |
Packed | Squalane | 120. | 653. | Castello and D'Amato, 1983 | He, Chromosorb G; Column length: 3. m |
Packed | Squalane | 125. | 652. | Castello and D'Amato, 1983 | He, Chromosorb G; Column length: 3. m |
Packed | Squalane | 200. | 675. | Castello and D'Amato, 1983 | He, Chromosorb G; Column length: 3. m |
Capillary | OV-101 | 30. | 647. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 40. | 649. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 50. | 651. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 60. | 653. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 70. | 656. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 80. | 658. | Chien, Furio, et al., 1983 | |
Capillary | OV-3 | 30. | 671.1 | Chien, Furio, et al., 1983, 2 | |
Capillary | OV-3 | 40. | 673.0 | Chien, Furio, et al., 1983, 2 | |
Capillary | OV-3 | 50. | 675.1 | Chien, Furio, et al., 1983, 2 | |
Capillary | OV-3 | 60. | 677.2 | Chien, Furio, et al., 1983, 2 | |
Capillary | OV-3 | 70. | 679.5 | Chien, Furio, et al., 1983, 2 | |
Capillary | OV-3 | 80. | 681.9 | Chien, Furio, et al., 1983, 2 | |
Capillary | Squalane | 106. | 650. | Kugucheva and Mashinsky, 1983 | He; Column length: 100. m |
Capillary | Squalane | 96. | 647. | Kugucheva and Mashinsky, 1983 | He; Column length: 100. m |
Capillary | DB-1 | 60. | 653.8 | Lubeck and Sutton, 1983 | Column length: 60. m; Column diameter: 0.264 mm |
Capillary | DB-1 | 60. | 654.4 | Lubeck and Sutton, 1983 | 60. m/0.259 mm/1. μm |
Capillary | SE-30 | 70. | 657.1 | Tóth, 1983 | N2; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Apiezon L | 100. | 685.2 | Vernon and Suratman, 1983 | He; Column length: 2. m |
Packed | Apiezon L | 100. | 685.6 | Vernon and Suratman, 1983 | He; Column length: 2. m |
Packed | Apiezon L | 100. | 686.8 | Vernon and Suratman, 1983 | He; Column length: 2. m |
Packed | Apiezon L | 100. | 687.4 | Vernon and Suratman, 1983 | He; Column length: 2. m |
Packed | SE-30 | 100. | 664. | Winskowski, 1983 | Gaschrom Q; Column length: 2. m |
Capillary | OV-1 | 50. | 652. | Anders, Scheller, et al., 1982 | Column length: 55. m; Column diameter: 0.21 mm |
Capillary | SE-30 | 130. | 670. | Bredael, 1982 | Column length: 100. m; Column diameter: 0.5 mm |
Capillary | SE-30 | 80. | 659. | Bredael, 1982 | Column length: 100. m; Column diameter: 0.5 mm |
Capillary | OV-101 | 100. | 664. | Gerasimenko and Nabivach, 1982 | N2; Column length: 50. m; Column diameter: 0.30 mm |
Capillary | OV-101 | 120. | 671. | Gerasimenko and Nabivach, 1982 | N2; Column length: 50. m; Column diameter: 0.30 mm |
Capillary | OV-101 | 140. | 678. | Gerasimenko and Nabivach, 1982 | N2; Column length: 50. m; Column diameter: 0.30 mm |
Packed | Apiezon L | 70. | 667. | Jaworski, 1982 | Column length: 1.8 m |
Packed | Apiezon L | 150. | 680. | Jaworski, 1982 | Column length: 3. m |
Capillary | OV-101 | 50. | 654. | Johansen and Ettre, 1982 | 100. m/0.27 mm/0.20 μm |
Capillary | OV-101 | 50. | 651. | Johansen and Ettre, 1982 | 55. m/0.27 mm/0.9 μm |
Capillary | OV-1 | 50. | 653. | Johansen and Ettre, 1982 | 17.5 m/0.2 mm/0.15 μm |
Capillary | SE-30 | 50. | 650. | Johansen and Ettre, 1982 | 17.5 m/0.2 mm/0.15 μm |
Capillary | Squalane | 86. | 648. | Macák, Nabivach, et al., 1982 | N2; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | Squalane | 96. | 650.22 | Macák, Nabivach, et al., 1982 | N2; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | OV-1 | 30. | 648.4 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | OV-1 | 40. | 650.5 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | OV-1 | 50. | 652.6 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | OV-1 | 60. | 654.9 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | OV-1 | 70. | 657.2 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | OV-1 | 80. | 659.7 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 30. | 645.7 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 40. | 648. | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 50. | 650.3 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 60. | 652.7 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 70. | 655.2 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 80. | 658.2 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | OV-101 | 100. | 663.6 | Gerasimenko, Kirilenko, et al., 1981 | N2; Column length: 50. m; Column diameter: 0.3 mm |
Capillary | OV-101 | 120. | 670.7 | Gerasimenko, Kirilenko, et al., 1981 | N2; Column length: 50. m; Column diameter: 0.3 mm |
Capillary | OV-101 | 140. | 677.8 | Gerasimenko, Kirilenko, et al., 1981 | N2; Column length: 50. m; Column diameter: 0.3 mm |
Capillary | Squalane | 50. | 638. | Mitra, 1981 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 50. | 638. | Mitra, 1981 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | OV-1 | 60. | 646. | Nijs and Jacobs, 1981 | He; Column length: 150. m; Column diameter: 0.50 mm |
Capillary | SE-30 | 80. | 659.1 | Albaigés and Guardino, 1980 | He; Column length: 64. m; Column diameter: 0.25 mm |
Capillary | Squalane | 80. | 642.9 | Albaigés and Guardino, 1980 | He; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Apiezon L | 100. | 683. | Morishita, Okano, et al., 1980 | Column length: 45. m; Column diameter: 0.25 mm |
Packed | Squalane | 100. | 650. | Nabivach and Kirilenko, 1980 | He, Chromaton N-AW-HMDS; Column length: 1. m |
Capillary | Squalane | 50. | 637.4 | Bajus, Veselý, et al., 1979 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 642.2 | Bajus, Veselý, et al., 1979 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 50. | 637.2 | Bajus, Veselý, et al., 1979, 2 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 642.5 | Bajus, Veselý, et al., 1979, 2 | Column length: 100. m; Column diameter: 0.25 mm |
Packed | Triacontane | 80. | 651. | Castello and D'Amato, 1979 | He, Chromosorb W AW (60-80 mesh); Column length: 3. m |
Packed | Squalane | 80. | 652. | Castello and D'Amato, 1979 | He, Chromosorb W AW (60-80 mesh); Column length: 3. m |
Packed | Squalane | 100. | 648. | Gröbler and Bálizs, 1979 | Column length: 1. m |
Capillary | Squalane | 86. | 647.8 | Nabivach and Kirilenko, 1979 | N2; Column length: 50. m |
Capillary | Squalane | 86. | 648.0 | Nabivach and Kirilenko, 1979 | N2; Column length: 50. m |
Capillary | Squalane | 86. | 648.7 | Nabivach and Kirilenko, 1979 | N2; Column length: 50. m |
Capillary | Squalane | 86. | 649.0 | Nabivach and Kirilenko, 1979 | N2; Column length: 50. m |
Capillary | Squalane | 70. | 642.5 | Nabivach and Kirilenko, 1979 | N2; Column length: 50. m |
Capillary | Squalane | 70. | 642.9 | Nabivach and Kirilenko, 1979 | N2; Column length: 50. m |
Capillary | Squalane | 70. | 641.1 | Drozd, Novák, et al., 1978 | Column length: 10. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 641.4 | Drozd, Novák, et al., 1978 | Column length: 10. m; Column diameter: 0.25 mm |
Capillary | Squalane | 86. | 648. | Nabivach, Bur'yan, et al., 1978 | Column length: 50. m; Column diameter: 0.25 mm |
Capillary | Squalane | 96. | 650.2 | Nabivach, Bur'yan, et al., 1978 | Column length: 50. m; Column diameter: 0.25 mm |
Capillary | Squalane | 50. | 636.8 | Welsch, Engewald, et al., 1978 | Column length: 80. m; Column diameter: 0.23 mm |
Capillary | Apiezon M | 120. | 684. | Golovnya and Misharina, 1977 | |
Capillary | Squalane | 100. | 650. | Engewald and Wennrich, 1976 | N2; Column length: 100. m; Column diameter: 0.23 mm |
Capillary | Squalane | 100. | 645.5 | Lulova, Leont'eva, et al., 1976 | He; Column length: 120. m; Column diameter: 0.25 mm |
Capillary | Squalane | 100. | 646. | Lulova, Leont'eva, et al., 1976 | He; Column length: 120. m; Column diameter: 0.25 mm |
Packed | Apolane | 70. | 659.2 | Riedo, Fritz, et al., 1976 | He, Chromosorb; Column length: 2.4 m |
Capillary | Squalane | 60. | 639. | Ryba, 1976 | Column length: 50. m; Column diameter: 0.25 mm |
Capillary | Squalane | 60. | 642. | Ryba, 1976 | Column length: 50. m; Column diameter: 0.25 mm |
Capillary | Squalane | 80. | 644.42 | Soják and Rijks, 1976 | H2; Column length: 100. m; Column diameter: 0.25 mm |
Packed | SE-30 | 40. | 648. | Vylegzhanina and Keiser, 1976 | Chromaton N-AW-GMDS; Column length: 1. m |
Packed | SE-30 | 60. | 647. | Vylegzhanina and Keiser, 1976 | Chromaton N-AW-GMDS; Column length: 1. m |
Packed | Squalane | 100. | 650. | Vernon and Edwards, 1975 | N2, DCMS-treated Celite; Column length: 1. m |
Packed | SE-30 | 150. | 674. | Ashes and Haken, 1974 | Celaton (62-72 mesh); Column length: 3.7 m |
Capillary | Squalane | 42.5 | 636. | Engewald, Epsch, et al., 1974 | N2; Column length: 100. m; Column diameter: 0.23 mm |
Capillary | Squalane | 70. | 644. | Engewald, Epsch, et al., 1974 | N2; Column length: 100. m; Column diameter: 0.23 mm |
Capillary | Squalane | 50. | 637. | Rijks and Cramers, 1974 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 642. | Rijks and Cramers, 1974 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | SE-30 | 65. | 654.8 | Svob, Deur-Siftar, et al., 1974 | He; Column length: 25.5 m; Column diameter: 0.5 mm |
Capillary | SE-30 | 65. | 654.8 | Svob, Deur-Siftar, et al., 1974 | He; Column length: 25.5 m; Column diameter: 0.5 mm |
Capillary | SE-30 | 65. | 654.8 | Svob, Deur-Siftar, et al., 1974 | He; Column length: 25.5 m; Column diameter: 0.5 mm |
Capillary | SE-30 | 65. | 654.7 | Svob, Deur-Siftar, et al., 1974 | He; Column length: 25.5 m; Column diameter: 0.5 mm |
Capillary | SE-30 | 65. | 654.7 | Svob, Deur-Siftar, et al., 1974 | He; Column length: 25.5 m; Column diameter: 0.5 mm |
Capillary | SE-30 | 65. | 654.8 | Svob and Deur-Siftar, 1974 | He; Column length: 25.5 m; Column diameter: 0.5 mm |
Capillary | Squalane | 100. | 650.4 | Svob and Deur-Siftar, 1974 | He; Column length: 10.5 m; Column diameter: 0.25 mm |
Capillary | Squalane | 50. | 638. | Gäumann and Bonzo, 1973 | Column length: 100. m |
Capillary | OV-101 | 50. | 652. | Pacáková, Hoch, et al., 1973 | 25. m/0.25 mm/1.39 μm, N2 |
Capillary | OV-101 | 50. | 654. | Pacáková, Hoch, et al., 1973 | 25. m/0.25 mm/1.39 μm, N2 |
Capillary | OV-101 | 60. | 654. | Pacáková, Hoch, et al., 1973 | 25. m/0.25 mm/1.39 μm, N2 |
Capillary | OV-101 | 60. | 656. | Pacáková, Hoch, et al., 1973 | 25. m/0.25 mm/1.39 μm, N2 |
Capillary | Squalane | 100. | 660.7 | Schomburg and Dielmann, 1973 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 120. | 649. | Agrawal, Tesarík, et al., 1972 | N2, Celite 545; Column length: 50. m; Column diameter: 0.3 mm |
Capillary | Squalane | 86. | 644. | Agrawal, Tesarík, et al., 1972 | N2, Celite 545; Column length: 50. m; Column diameter: 0.3 mm |
Capillary | Vacuum Grease Oil (VM-4) | 35. | 652. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 45. | 655. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 50. | 657. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 58. | 660. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 68. | 662. | Sidorov, Petrova, et al., 1972 | |
Packed | Squalane | 50. | 640.0 | Takács, Tálas, et al., 1972 | N2, Chromosorb W; Column length: 3. m |
Capillary | Squalane | 70. | 639.7 | Dimov and Schopov, 1971 | Column length: 100. m; Column diameter: 0.25 mm |
Packed | SE-30 | 75. | 656. | Robinson and Odell, 1971 | N2, Chromosorb W; Column length: 6.1 m |
Packed | Squalane | 100. | 648. | Robinson and Odell, 1971 | N2, Embacel; Column length: 3.0 m |
Packed | Squalane | 50. | 637. | Vernon, 1971 | N2 |
Packed | Apiezon L | 100. | 685. | Wagaman and Smith, 1971 | CH4; Column length: 3. m |
Capillary | Squalane | 80. | 648.5 | Wallaert, 1971 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 115. | 653.6 | Soják and Bucinská, 1970 | N2; Column length: 200. m; Column diameter: 0.2 mm |
Capillary | Squalane | 86. | 646.6 | Soják and Bucinská, 1970 | N2; Column length: 200. m; Column diameter: 0.2 mm |
Packed | Apiezon L | 100. | 681. | Brown, Chapman, et al., 1968 | N2, DCMS-treated Chromosorb W; Column length: 2.3 m |
Packed | Squalane | 27. | 634. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 49. | 640. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 67. | 645. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 86. | 649. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Apiezon L | 100. | 680. | Bonastre and Grenier, 1967 | Chromosorb P; Column length: 10. m |
Packed | Apiezon L | 120. | 686. | Bonastre and Grenier, 1967 | Chromosorb P; Column length: 10. m |
Packed | Apiezon L | 140. | 694. | Bonastre and Grenier, 1967 | Chromosorb P; Column length: 10. m |
Packed | Apiezon L | 80. | 681. | Bonastre and Grenier, 1967 | Chromosorb P; Column length: 10. m |
Packed | Squalane | 100. | 650. | Bonastre and Grenier, 1967 | Chromosorb P; Column length: 6. m |
Packed | Squalane | 120. | 655. | Bonastre and Grenier, 1967 | Chromosorb P; Column length: 6. m |
Packed | Squalane | 140. | 660. | Bonastre and Grenier, 1967 | Chromosorb P; Column length: 6. m |
Packed | Squalane | 80. | 645. | Bonastre and Grenier, 1967 | Chromosorb P; Column length: 6. m |
Packed | Squalane | 22. | 631. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 30. | 632. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 40. | 634. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 55. | 643. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 70. | 645. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Apiezon L | 130. | 691. | Wehrli and Kováts, 1959 | Celite; Column length: 2.25 m |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 662. | Buchin, Salmon, et al., 2002 | 60. m/0.32 mm/1. μm, He, 40. C @ 5. min, 3. K/min, 230. C @ 2. min |
Capillary | SE-54 | 650. | Rembold, Wallner, et al., 1989 | 30. m/0.25 mm/0.25 μm, He, 0. C @ 12. min, 12. K/min; Tend: 250. C |
Capillary | OV-101 | 642. | Hayes and Pitzer, 1982 | 110. m/0.25 mm/0.20 μm, He, 1. K/min; Tstart: 35. C; Tend: 200. C |
Capillary | Apiezon L | 665. | Louis, 1971 | N2, 1. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 60. C |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | BP-1 | 647. | SGE, 2005 | Program: not specified |
Capillary | BP-5 | 667. | SGE, 2005 | Program: not specified |
Capillary | BPX-5 | 664. | SGE, 2005 | Program: not specified |
Capillary | HP-1 | 629. | Wongpornchai, Sriseadka, et al., 2003 | 30. m/0.25 mm/0.25 μm, He; Program: 35C => 2C/min => 100C => 5C/min => 230C(2min) |
Capillary | Petrocol DH-100 | 649.7 | 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) |
Capillary | DB-1 | 649. | Hoekman, 1993 | 60. m/0.32 mm/1.0 μm, He; Program: -40 C for 12 min; -40 - 125 C at 3 deg.min; 125-185 C at 6 deg/min; 185 - 220 C at 20 deg/min; hold 220 C for 2 min |
Packed | Apiezon M | 681.3 | Jalali-Heravi and Garkani-Nejad, 1993 | Chromosorb W; Column length: 2. m; Program: not specified |
Capillary | SPB-1 | 661.6 | Castello, Timossi, et al., 1988 | N2; Column length: 60. m; Column diameter: 0.75 mm; Program: not specified |
Capillary | Squalane | 652. | Papazova and Pankova, 1975 | N2; Column length: 100. m; Column diameter: 0.25 mm; Program: not specified |
Packed | SE-30 | 650. | Moffat, Stead, et al., 1974 | Chromosrb G; Column length: 2. m; Program: not specified |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | Carbowax 20M | 160. | 979. | Kurbatova, Finkelstein, et al., 2004 | Chromaton N-AW; Column length: 1. m |
Capillary | ZB-Wax | 100. | 979.4 | Pérez-Parajón, Santiuste, et al., 2004 | 60. m/0.25 mm/0.25 μm |
Capillary | ZB-Wax | 120. | 988.6 | Pérez-Parajón, Santiuste, et al., 2004 | 60. m/0.25 mm/0.25 μm |
Capillary | ZB-Wax | 140. | 999.5 | Pérez-Parajón, Santiuste, et al., 2004 | 60. m/0.25 mm/0.25 μm |
Capillary | DB-Wax | 40. | 947.77 | Ciaznska-Halarewicz and Kowalska, 2003 | Column length: 30. m; Column diameter: 0.32 mm |
Capillary | DB-Wax | 50. | 953.66 | Ciaznska-Halarewicz and Kowalska, 2003 | Column length: 30. m; Column diameter: 0.32 mm |
Capillary | DB-Wax | 60. | 963.67 | Ciaznska-Halarewicz and Kowalska, 2003 | Column length: 30. m; Column diameter: 0.32 mm |
Capillary | DB-Wax | 70. | 971.57 | Ciaznska-Halarewicz and Kowalska, 2003 | Column length: 30. m; Column diameter: 0.32 mm |
Capillary | DB-Wax | 80. | 980.53 | Ciaznska-Halarewicz and Kowalska, 2003 | Column length: 30. m; Column diameter: 0.32 mm |
Capillary | DB-Wax | 90. | 989.54 | Ciaznska-Halarewicz and Kowalska, 2003 | Column length: 30. m; Column diameter: 0.32 mm |
Capillary | DB-Wax | 100. | 998.62 | Ciaznska-Halarewicz and Kowalska, 2003 | Column length: 30. m; Column diameter: 0.32 mm |
Capillary | DB-Wax | 110. | 1007.64 | Ciaznska-Halarewicz and Kowalska, 2003 | Column length: 30. m; Column diameter: 0.32 mm |
Capillary | Carbowax 20M | 150. | 970. | Egazaryants and Maximov, 1998 | He; Column length: 15. m; Column diameter: 0.5 mm |
Capillary | Carbowax 20M | 150. | 971. | Egazaryants and Maximov, 1998 | He; Column length: 15. m; Column diameter: 0.5 mm |
Capillary | PEG-40M | 150. | 925. | Terenina, Zhuravieva, et al., 1997 | 50. m/0.3 mm/0.4 μm, He |
Capillary | Supelcowax-10 | 60. | 955.5 | Castello, Vezzani, et al., 1994 | 30. m/0.32 mm/0.25 μm, He |
Capillary | PEG-20M | 80. | 945.2 | Orav, Kuningas, et al., 1994 | 50. m/0.2 mm/0.13 μm, He |
Capillary | PEG-20M | 80. | 958.2 | Orav, Kuningas, et al., 1994 | 50. m/0.2 mm/0.19 μm, He |
Capillary | PEG-20M | 80. | 959.5 | Orav, Kuningas, et al., 1994 | 50. m/0.2 mm/0.22 μm, He |
Capillary | Supelcowax-10 | 60. | 964. | Castello, Vezzani, et al., 1991 | N2; Column length: 60. m; Column diameter: 0.75 mm |
Packed | Carbowax 20M | 120. | 992. | Fernández-Sánchez, Fernández-Torres, et al., 1987 | N2, Chromosorb W AW DMCS; Column length: 2. m |
Packed | Carbowax 20M | 80. | 952. | Kersten and Poole, 1987 | N2, Chromosorb W-AW; Column length: 3.5 m |
Packed | Carbowax 20M | 150. | 971. | Haken and Vernon, 1986 | Chromosorb G AW DCMS; Column length: 3.7 m; Column diameter: 6.4 mm |
Capillary | Carbowax 20M | 100. | 968.66 | Podmaniczky, Szepesy, et al., 1985 | |
Capillary | Carbowax 20M | 110. | 972.80 | Podmaniczky, Szepesy, et al., 1985 | |
Capillary | Carbowax 20M | 120. | 976.91 | Podmaniczky, Szepesy, et al., 1985 | |
Capillary | Carbowax 20M | 70. | 957.21 | Podmaniczky, Szepesy, et al., 1985 | |
Capillary | Carbowax 20M | 80. | 960.69 | Podmaniczky, Szepesy, et al., 1985 | |
Capillary | Carbowax 20M | 90. | 964.88 | Podmaniczky, Szepesy, et al., 1985 | |
Packed | PEG-20M | 120. | 979. | Stolyarov and Kartsova, 1984 | N2, Chromaton N AW HMDS; Column length: 2. m |
Capillary | PEG-20M | 70. | 954.5 | Tóth, 1983 | N2; Column length: 30. m; Column diameter: 0.3 mm |
Packed | Carbowax 20M | 100. | 965.7 | Vernon and Suratman, 1983 | He; Column length: 2. m |
Packed | Carbowax 20M | 100. | 973.3 | Vernon and Suratman, 1983 | He; Column length: 2. m |
Packed | Carbowax 20M | 100. | 979.3 | Vernon and Suratman, 1983 | He; Column length: 2. m |
Packed | Carbowax 20M | 100. | 982.6 | Vernon and Suratman, 1983 | He; Column length: 2. m |
Packed | Carbowax 20M | 100. | 969.7 | Vernon and Suratman, 1983, 2 | He, A silanized white support; Column length: 2. m |
Packed | Carbowax 20M | 110. | 974.2 | Vernon and Suratman, 1983, 2 | He, A silanized white support; Column length: 2. m |
Packed | Carbowax 20M | 120. | 978.8 | Vernon and Suratman, 1983, 2 | He, A silanized white support; Column length: 2. m |
Packed | Carbowax 20M | 130. | 983.4 | Vernon and Suratman, 1983, 2 | He, A silanized white support; Column length: 2. m |
Packed | Carbowax 20M | 150. | 992.6 | Vernon and Suratman, 1983, 2 | He, A silanized white support; Column length: 2. m |
Packed | Carbowax 20M | 75. | 959. | Goebel, 1982 | N2, Kieselgur (60-100 mesh); Column length: 2. m |
Capillary | PEG-20M | 100. | 955. | Morishita, Okano, et al., 1980 | Column length: 75. m; Column diameter: 0.25 mm |
Packed | Carbowax 20M | 150. | 967.0 | Ellis and Still, 1979 | Chromosorb W, AW-DMCS |
Packed | Carbowax 20M | 115. | 972.6 | Ellis and Still, 1979 | Chromosorb G |
Packed | Carbowax 20M | 115. | 973.4 | Ellis and Still, 1979 | Chromosorb G |
Packed | Carbowax 20M | 165. | 985.7 | Ellis and Still, 1979, 2 | Chromosorb W, AW-DMCS |
Capillary | Carbowax 20M | 100. | 947.2 | Engewald and Wennrich, 1976 | N2; Column length: 100. m; Column diameter: 0.23 mm |
Capillary | Carbowax 20M | 90. | 933.4 | Döring, Estel, et al., 1974 | Column length: 100. m; Column diameter: 0.2 mm |
Packed | PEG-2000 | 150. | 987. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PEG-2000 | 152. | 978. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PEG-2000 | 179. | 1005. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PEG-2000 | 180. | 991. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PEG-2000 | 200. | 1000. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PEG-20M | 150. | 970. | Tibor and Anna, 1971 | N2, Chromosorb W-AW; Column length: 2. m |
Packed | PEG-20M | 170. | 985. | Tibor and Anna, 1971 | N2, Chromosorb W-AW; Column length: 2. m |
Packed | Polyethylene Glycol 4000 | 100. | 974. | Bonastre and Grenier, 1967 | Chromosorb P; Column length: 6. m |
Packed | Polyethylene Glycol 4000 | 120. | 981. | Bonastre and Grenier, 1967 | Chromosorb P; Column length: 6. m |
Packed | Polyethylene Glycol 4000 | 140. | 987. | Bonastre and Grenier, 1967 | Chromosorb P; Column length: 6. m |
Packed | Polyethylene Glycol 4000 | 80. | 967. | Bonastre and Grenier, 1967 | Chromosorb P; Column length: 6. m |
Kovats' RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 924. | Umano and Shibamoto, 1987 | He, 40. C @ 10. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C |
Kovats' RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | BP-20 | 947. | SGE, 2005 | Program: not specified |
Capillary | PEG-20M | 953. | Slizhov and Gavrilenko, 2001 | He; Column length: 10. m; Column diameter: 0.2 mm; Program: not specified |
Capillary | Supelcowax-10 | 967.7 | Castello, Timossi, et al., 1988 | N2; Column length: 60. m; Column diameter: 0.75 mm; Program: not specified |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SPB-5 | 663. | Engel and Ratel, 2007 | 60. m/0.32 mm/1. μm, 40. C @ 2. min, 3. K/min, 230. C @ 10. min |
Capillary | CP-Sil 8CB-MS | 654. | Elmore, Cooper, et al., 2005 | 0. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min, 280. C @ 5. min |
Capillary | HP-5 | 662. | 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 | 663. | Hierro, de la Hoz, et al., 2004 | 60. m/0.25 mm/0.25 μm, 40. C @ 2. min, 4. K/min, 280. C @ 5. min |
Capillary | Petrocol DH | 647.5 | 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 | HP-5 | 648. | Isidorov, Vinogorova, et al., 2003 | 25. C @ 5. min, 3. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 150. C |
Capillary | SPB-1 | 638.32 | LECO Corporation, 2003 | 30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 10. K/min, 250. C @ 2. min |
Capillary | SPB-1 | 638.98 | LECO Corporation, 2003 | 30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 10. K/min, 250. C @ 2. min |
Capillary | DB-5 | 654.8 | Song, Lai, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 653.8 | Song, Lai, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 4. K/min; Tend: 310. C |
Capillary | DB-5 | 654.2 | Song, Lai, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 654.8 | Song, Lai, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 656.1 | Song, Lai, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 6. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 660.6 | Xu, van Stee, et al., 2003 | 30. m/0.25 mm/1. μm, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C |
Capillary | DB-5 | 648. | Dallüge, van Stee, et al., 2002 | 30. m/0.25 mm/1. μm, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C |
Capillary | OV-101 | 645.0 | Yin, Liu, et al., 2001 | N2, 1. K/min; Column length: 80. m; Column diameter: 0.22 mm; Tstart: 30. C; Tend: 130. C |
Capillary | CP Sil 8 CB | 658. | Yassaa, Meklati, et al., 1999 | 25. m/0.2 mm/0.25 μm, 40. C @ 8. min, 2. K/min; Tend: 200. C |
Capillary | DB-1 | 639. | Beens, Tijssen, et al., 1998 | 10. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 30. C; Tend: 225. C |
Capillary | DB-5 | 664. | Madruga and Mottram, 1998 | 30. m/0.32 mm/1. μm, 60. C @ 5. min, 4. K/min, 250. C @ 20. min |
Capillary | SE-54 | 654.1 | Kivi-Etelätalo, Kostiainen, et al., 1997 | 50. m/0.32 mm/1. μm, He, 40. C @ 2. min, 10. K/min, 220. C @ 5. min |
Capillary | PONA | 638.6 | Martos, Saraullo, et al., 1997 | 50. m/0.2 mm/0.5 μm, 35. C @ 0.5 min, 1. K/min, 220. C @ 8. min |
Capillary | PONA | 640.7 | Martos, Saraullo, et al., 1997 | 50. m/0.2 mm/0.5 μm, 35. C @ 0.5 min, 1. K/min, 220. C @ 8. min |
Capillary | DB-1 | 645. | DeMilo, Lee, et al., 1996 | 30. m/0.248 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min; Tend: 250. C |
Capillary | DB-1 | 645. | DeMilo, Lee, et al., 1996 | 30. m/0.248 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min; Tend: 250. C |
Capillary | DB-1 | 646. | DeMilo, Lee, et al., 1996 | 30. m/0.248 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min; Tend: 250. C |
Capillary | OV-1 | 643.1 | Gautzsch and Zinn, 1996 | 8. K/min; Tstart: 35. C; Tend: 300. C |
Capillary | DB-1 | 640.5 | Helmig, Pollock, et al., 1996 | 30. m/0.25 mm/1. μm, 6. K/min; Tstart: -50. C; Tend: 180. C |
Capillary | DB-5 | 660.1 | Helmig, Pollock, et al., 1996 | 60. m/0.33 mm/0.25 μm, 6. K/min; Tstart: -50. C; Tend: 180. C |
Capillary | DB-5 | 654.2 | Lai and Song, 1995 | 30. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 654.8 | Lai and Song, 1995 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 656.1 | Lai and Song, 1995 | 30. m/0.25 mm/0.25 μm, He, 6. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 654.8 | Lai and Song, 1995 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 653.8 | Lai and Song, 1995 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 4. K/min; Tend: 310. C |
Capillary | Petrocol DH | 641.77 | Subramaniam, Bochniak, et al., 1994 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Capillary | Petrocol DH | 641.83 | Subramaniam, Bochniak, et al., 1994 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Capillary | DB-1 | 630. | Yu, Lin, et al., 1994 | 60. m/0.25 mm/1.0 μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 60. min |
Capillary | Ultra-1 | 644. | Olson, Sinkevitch, et al., 1992 | 4. K/min; Tstart: -40. C; Tend: 230. C |
Capillary | DB-1 | 654. | Peng, Hua, et al., 1992 | 30. m/0.32 mm/1.5 μm, 40. C @ 4. min, 8. K/min; Tend: 280. C |
Capillary | Petrocol DH | 641.72 | White, Douglas, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Capillary | Petrocol DH | 642. | White, Douglas, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Capillary | Petrocol DH | 642. | White, Hackett, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Capillary | DB-5 | 654. | Morinaga, Hara, et al., 1990 | 15. m/0.53 mm/1.5 μm, He, 4. K/min; Tstart: 40. C; Tend: 90. C |
Capillary | HP-1 | 651.4 | Bangjie, Xijian, et al., 1987 | N2, 10. K/min; Column length: 25. m; Column diameter: 0.2 mm; Tstart: 30. C |
Capillary | HP-1 | 648.9 | Bangjie, Xijian, et al., 1987 | N2, 2. K/min; Column length: 25. m; Column diameter: 0.2 mm; Tstart: 30. C |
Capillary | HP-1 | 648. | Bangjie, Xijian, et al., 1987 | N2, 30. C @ 5. min, 5. K/min; Column length: 25. m; Column diameter: 0.2 mm |
Capillary | Ultra-1 | 640.61 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 1. K/min; Tstart: -30. C; Tend: 240. C |
Capillary | Ultra-1 | 643.07 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 2. K/min; Tstart: -30. C; Tend: 240. C |
Capillary | Ultra-1 | 644.46 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 3. K/min; Tstart: -30. C; Tend: 240. C |
Capillary | Ultra-2 | 655.57 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 1. K/min; Tstart: -30. C; Tend: 240. C |
Capillary | Ultra-2 | 658.13 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 2. K/min; Tstart: -30. C; Tend: 240. C |
Capillary | Ultra-2 | 659.63 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 3. K/min; Tstart: -30. C; Tend: 240. C |
Packed | SE-30 | 654. | Buchman, Cao, et al., 1984 | He, Chromosorb AW, 40. C @ 10. min, 10. K/min, 210. C @ 30. min; Column length: 3.05 m |
Capillary | OV-1 | 645.26 | Knoppel, de Bortoli, et al., 1983 | 35. C @ 5. min; Column length: 50. m; Column diameter: 0.2 mm; Tend: 280. C |
Capillary | OV-1 | 642.7 | Knoppel, de Bortoli, et al., 1983 | 35. C @ 5. min; Column length: 25. m; Column diameter: 0.31 mm; Tend: 280. C |
Capillary | OV-1 | 646. | Knoppel, de Bortoli, et al., 1982 | 24. m/0.3 mm/1.1 μm, 35. C @ 5. min, 4. K/min; Tend: 250. C |
Capillary | OV-1 | 647.11 | Knoppel, de Bortoli, et al., 1982 | 30. m/0.3 mm/1.1 μm, 35. C @ 5. min, 4. K/min; Tend: 250. C |
Capillary | OV-101 | 642. | Hayes and Pitzer, 1981 | 108. m/0.25 mm/0.2 μm, 1. K/min; Tstart: 35. C; Tend: 200. C |
Packed | OV-101 | 650. | Nixon, Wong, et al., 1979 | Gas-Chrom Q, 2. K/min; Column length: 2.5 m; Tstart: 50. C; Tend: 220. C |
Capillary | OV-1 | 648. | Schreyen, Dirinck, et al., 1976 | 1. K/min; Column length: 183. m; Column diameter: 0.762 mm; Tstart: 0. C; Tend: 230. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CP Sil 8 CB | 659. | Duckham, Dodson, et al., 2001 | 60. m/0.25 mm/0.25 μm; Program: 0C => rapidly => 40C(8min) => 4C/min => 250C(10min) |
Capillary | DB-1 | 630. | Peng, 2000 | 15. m/0.53 mm/1. μm, He; Program: 40C(3min) => 8C/min => 200(1min) => 5C/min => 300C(25min) |
Capillary | Methyl Silicone | 640.20 | Hassoun, Pilling, et al., 1999 | 50. m/0.25 mm/1. μm, He; Program: -50C(2min) => 49.9C/min => 35C(10min) => 3C/min => 200C(2min) => 40C/min => 240C(30min) |
Packed | SE-30 | 654. | Peng, Ding, et al., 1988 | Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min) |
Packed | SE-30 | 654. | 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 | CP-Wax 52CB | 936. | Alasalvar, Taylor, et al., 2005 | 60. m/0.25 mm/0.25 μm, 35. C @ 4. min, 3. K/min; Tend: 203. C |
Capillary | Supelcowax-10 | 940. | Elmore, Nisyrios, et al., 2005 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 280. C |
Capillary | Carbowax | 954. | 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 | CP-Wax 52CB | 942. | Liu, Yang, et al., 2001 | H2, 2. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 50. C; Tend: 200. C |
Capillary | DB-Wax | 943. | Peng, 2000 | 15. m/0.53 mm/1. μm, He, 40. C @ 3. min, 5. K/min, 220. C @ 30. min |
Capillary | HP-Wax | 947. | Peng, 2000 | 15. m/0.53 mm/1. μm, He, 40. C @ 3. min, 5. K/min, 220. C @ 30. min |
Capillary | FFAP | 939. | 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 | DB-Wax | 938. | Shimoda, Peralta, et al., 1996 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 230. C |
Capillary | DB-Wax | 940. | Sumitani, Suekane, et al., 1994 | He, 40. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C |
Capillary | DB-Wax | 947. | Peng, Hua, et al., 1992 | 30. m/0.53 mm/1. μm, 40. C @ 4. min, 8. K/min, 200. C @ 20. min |
Capillary | Supelcowax-10 | 938. | Matiella and Hsieh, 1990 | 60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min, 175. C @ 20. min |
Capillary | CP-WAX 57CB | 926. | Baltes and Mevissen, 1988 | He, 50. C @ 5. min, 2. K/min; Column length: 50. m; Column diameter: 0.24 mm; Tend: 210. C |
Packed | Carbowax 20M | 965. | Buchman, Cao, et al., 1984 | He, Supelcoport, 40. C @ 10. min, 10. K/min, 210. C @ 30. min; Column length: 3.05 m |
Van Den Dool and Kratz RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Supelcowax-10 | 936. | 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 | 938. | Bianchi, Careri, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(1min) => 10C/min => 120C => 15C/min => 200C (1min) |
Capillary | Supelcowax-10 | 938. | 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 | 938. | 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 | 930. | Madruga and Mottram, 1998 | 50. m/0.32 mm/0.21 μm; Program: 0C(5min) => fast => 60C(5min) => 4C/min => 220C(20min) |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Polydimethyl siloxane | 105. | 663. | Tello, Lebron-Aguilar, et al., 2009 | |
Capillary | Polydimethyl siloxane | 75. | 657. | Tello, Lebron-Aguilar, et al., 2009 | |
Capillary | Polydimethyl siloxane | 90. | 660. | Tello, Lebron-Aguilar, et al., 2009 | |
Packed | Polydimethyl siloxane | 120. | 667. | Tello, Lebron-Aguilar, et al., 2009 | |
Packed | Polydimethyl siloxane | 120. | 668. | Tello, Lebron-Aguilar, et al., 2009 | |
Packed | Polydimethyl siloxane | 120. | 668. | Tello, Lebron-Aguilar, et al., 2009 | |
Capillary | Methyl Silicone | 100. | 662. | Lebrón-Aguilar, Quintanilla-López, et al., 2007 | |
Capillary | Methyl Silicone | 120. | 668. | Lebrón-Aguilar, Quintanilla-López, et al., 2007 | |
Capillary | Methyl Silicone | 140. | 672. | Lebrón-Aguilar, Quintanilla-López, et al., 2007 | |
Capillary | Methyl Silicone | 80. | 658. | Lebrón-Aguilar, Quintanilla-López, et al., 2007 | |
Capillary | Methyl Silicone | 120. | 668. | Lebrón-Aguilar, Quintanilla-López, et al., 2007 | |
Capillary | Methyl Silicone | 120. | 668. | Lebrón-Aguilar, Quintanilla-López, et al., 2007 | |
Capillary | Methyl Silicone | 120. | 668. | Lebrón-Aguilar, Quintanilla-López, et al., 2007 | |
Capillary | Methyl Silicone | 120. | 678. | Chen and Feng, 2006 | |
Capillary | OV-101 | 40. | 654. | Li and Deng, 1998 | N2; Column length: 51. m; Column diameter: 0.25 mm |
Capillary | OV-101 | 100. | 663. | Tian, 1993 | Column length: 50. m; Column diameter: 0.20 mm |
Capillary | OV-101 | 100. | 664. | Tian, 1993 | Column length: 50. m; Column diameter: 0.20 mm |
Capillary | OV-101 | 120. | 670. | Tian, 1993 | Column length: 50. m; Column diameter: 0.20 mm |
Capillary | OV-101 | 120. | 670. | Tian, 1993 | Column length: 50. m; Column diameter: 0.20 mm |
Capillary | OV-101 | 102. | 656. | Wang, Deng, et al., 1992 | Column length: 23. m; Column diameter: 0.50 mm |
Capillary | OV-101 | 106. | 657. | Wang, Deng, et al., 1992 | Column length: 23. m; Column diameter: 0.50 mm |
Capillary | OV-101 | 110. | 658. | Wang, Deng, et al., 1992 | Column length: 23. m; Column diameter: 0.50 mm |
Capillary | OV-101 | 114. | 659. | Wang, Deng, et al., 1992 | Column length: 23. m; Column diameter: 0.50 mm |
Capillary | OV-101 | 94. | 654. | Wang, Deng, et al., 1992 | Column length: 23. m; Column diameter: 0.50 mm |
Capillary | OV-101 | 98. | 655. | Wang, Deng, et al., 1992 | Column length: 23. m; Column diameter: 0.50 mm |
Capillary | OV-101 | 98. | 655. | Wang, Deng, et al., 1992 | Column length: 23. m; Column diameter: 0.50 mm |
Capillary | Methyl Silicone | 50. | 638. | N/A | N2; Column length: 74.6 m; Column diameter: 0.28 mm |
Capillary | OV-101 | 50. | 651. | Wu and Lu, 1984 | |
Capillary | OV-101 | 70. | 655. | Wu and Lu, 1984 | |
Capillary | E-301 | 100. | 670. | Bermejo, Moinelo, et al., 1980 | N2; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | Squalane | 100. | 652. | Bermejo, Moinelo, et al., 1980 | N2; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | Squalane | 95.4 | 638. | Sojak and Vigdergauz, 1978 | H2 |
Capillary | Squalane | 110. | 650. | Papazova and Pankova, 1975 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Packed | Apiezon L | 100. | 682. | Kavan, 1973 | Column length: 3.2 m |
Capillary | Squalane | 86. | 635. | Vigdergauz and Martynov, 1971 | He; Column length: 150. m; Column diameter: 0.35 mm |
Packed | DC-400 | 150. | 658. | Anderson, 1968 | Helium, Gas-Pak (60-80 mesh); Column length: 3.0 m |
Packed | Squalane | 125. | 655. | Cremer and Nonn, 1964 | H2, Chromosorb W (80-100 mesh); Column length: 3. m |
Packed | Polydimethyl siloxane | 110. | 654. | Ferrand, 1962 |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Packed | SE-30 | 660. | MHA, 9999 | Nitrogen, Chromosorb G AW DMCS (80-100 mesh); Column length: 2. m; Tstart: 100. C; Tend: 300. C |
Capillary | Polydimethyl siloxane: CP-Sil 5 CB | 648. | 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 | 653. | 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 | Petrocol DH | 643. | Supelco, 2012 | 100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min |
Capillary | Ultra-ALLOY-5 | 653. | Tsuge, Ohtan, et al., 2011 | 30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 20. K/min, 320. C @ 13. min |
Capillary | ZB-5 | 657. | Harrison and Priest, 2009 | 30. m/0.25 mm/0.25 μm, Helium, 40. C @ 1. min, 6. K/min, 280. C @ 9. min |
Capillary | PONA | 637. | Zhang, Ding, et al., 2009 | 50. m/0.20 mm/0.50 μm, Nitrogen, 35. C @ 15. min, 2. K/min, 200. C @ 10. min |
Capillary | SPB-5 | 661. | Vasta, Ratel, et al., 2007 | 60. m/0.32 mm/1. μm, 40. C @ 5. min, 3. K/min, 230. C @ 5. min |
Capillary | OV-101 | 657. | Zenkevich, Eliseenkov, et al., 2006 | Nitrogen, 6. K/min, 240. C @ 10. min; Column length: 25. m; Column diameter: 0.20 mm; Tstart: 60. C |
Capillary | SPB-5 | 646. | Pino, Marbot, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min |
Capillary | OV-101 | 656. | Zenkevich, Makarov, et al., 2005 | 25. m/0.25 mm/0.20 μm, Nitrogen, 60. C @ 0. min, 8. K/min, 240. C @ 0. min |
Capillary | HP-5 | 653. | Isidorov and Jdanova, 2002 | 3. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 200. C |
Capillary | SPB-5 | 661. | Poligné, Collignan, et al., 2001 | 60. m/0.32 mm/1. μm, He, 3. K/min; Tstart: 40. C; Tend: 200. C |
Capillary | BP-1 | 652. | Health Safety Executive, 2000 | 50. m/0.22 mm/0.75 μm, He, 5. K/min; Tstart: 50. C; Tend: 200. C |
Capillary | DB-5MS | 645.3 | Shoenmakers, Oomen, et al., 2000 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 3. K/min; Tend: 250. C |
Capillary | Methyl Silicone | 638.83 | Baraldi, Rapparini, et al., 1999 | 60. m/0.25 mm/0.25 μm, 40. C @ 10. min, 5. K/min; Tend: 220. C |
Capillary | HP-5 | 667. | Jung, Wichmann, et al., 1999 | 25. m/0.20 mm/0.33 μm, 50. C @ 3. min, 5. K/min; Tend: 180. C |
Capillary | OV-101 | 649. | Orav, Kailas, et al., 1999 | 50. m/0.20 mm/0.50 μm, Helium, 30. C @ 6. min, 1. K/min; Tend: 100. C |
Capillary | DB-1 | 648. | Barrefors, Björkqvist, et al., 1996 | 50. m/0.32 mm/1. μm, 3. K/min; Tstart: -30. C |
Capillary | SE-54 | 661. | Huang, Liang, et al., 1996 | 36. m/0.25 mm/0.25 μm, 5. K/min; Tstart: 35. C; Tend: 240. C |
Capillary | HP-5 | 671.3 | Wang and Fingas, 1995 | 30. m/0.25 mm/0.25 μm, He, 35. C @ 2. min, 10. K/min, 300. C @ 10. min |
Capillary | DB-1 | 649. | Ciccioli, Cecinato, et al., 1992 | 60. m/0.32 mm/1.2 μm, He, 30. C @ 10. min, 3. K/min; Tend: 240. C |
Capillary | OV-1 | 638. | Guan, Zheng, et al., 1992 | 50. m/0.32 mm/0.52 μm, H2, 1. K/min; Tstart: 30. C |
Capillary | OV-1 | 640. | Guan, Zheng, et al., 1992 | 50. m/0.32 mm/0.52 μm, H2, 2. K/min; Tstart: 35. C |
Capillary | CP Sil 5 CB | 640. | Hartgers, Damste, et al., 1992 | 25. m/0.32 mm/0.45 μm, He, 0. C @ 5. min, 3. K/min, 320. C @ 10. min |
Capillary | OV-101 | 653. | Zenkevich and Ventura, 1991 | Helium, 50. C @ 0. min, 5. K/min, 240. C @ 0. min; Column length: 54. m; Column diameter: 0.26 mm |
Capillary | DB-1 | 644. | Binder, Benson, et al., 1990 | 4. K/min, 230. C @ 10. min; Column length: 60. m; Column diameter: 0.32 mm; Tstart: 50. C |
Capillary | DB-1 | 647. | Binder, Turner, et al., 1990 | 4. K/min, 230. C @ 10. min; Tstart: 50. C |
Capillary | HP-5 | 640. | Spadone, Takeoka, et al., 1990 | H2, 16. K/min; Column length: 50. m; Column diameter: 0.3 mm; Tstart: 80. C; Tend: 250. C |
Capillary | DB-1 | 642. | Binder, Flath, et al., 1989 | 4. K/min, 250. C @ 5. min; Column length: 60. m; Column diameter: 0.32 mm; Tstart: 50. C |
Capillary | DB-1 | 643. | Binder and Flath, 1989 | 50. C @ 0.1 min, 4. K/min, 250. C @ 5. min; Column length: 60. m; Column diameter: 0.32 mm |
Capillary | OV-1 | 640.5 | Durand, Boscher, et al., 1987 | 50. m/0.2 mm/0.52 μm, He, 35. C @ 10. min, 1.1 K/min; Tend: 150. C |
Capillary | DB-1 | 644. | Habu, Flath, et al., 1985 | 3. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 0. C; Tend: 250. C |
Capillary | OV-101 | 641. | del Rosario, de Lumen, et al., 1984 | He, 0. C @ 1. min, 3. K/min; Column length: 50. m; Column diameter: 0.31 mm; Tend: 225. C |
Capillary | SE-30 | 642. | Heydanek and McGorrin, 1981 | 40. C @ 3. min, 3. K/min; Column length: 50. m; Column diameter: 0.5 mm; Tend: 170. C |
Capillary | SE-30 | 641. | Heydanek and McGorrin, 1981, 2 | He, 40. C @ 3. min, 3. K/min; Column length: 50. m; Column diameter: 0.5 mm; Tend: 170. C |
Packed | Apiezon L | 663. | Dahlmann, Köser, et al., 1979 | Chromosorb G-AW-DMCS, 10. K/min; Column length: 2. m; Tstart: 25. C |
Capillary | OV-1 | 648. | Schreyen, Dirinck, et al., 1979 | N2, 1. K/min; Column length: 183. m; Column diameter: 0.762 mm; Tstart: 0. C; Tend: 230. C |
Capillary | SF-96 | 652. | Donetzhuber, Johansson, et al., 1976 | Nitrogen, 3. K/min, 130. C @ 40. min; Column length: 111. m; Column diameter: 0.76 mm; Initial hold: 8. min |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 MS | 657. | Kotowska, Zalikowski, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | DB-5 | 642. | Yusuf and Bewaji, 2011 | Column length: 30. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | DB-5 | 642. | Yusuf and Bewaji, 2011, 2 | Helium; Column length: 30. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | Nonpolar | 655. | Staples and Zeiger, 2008 | Program: not specified |
Capillary | DB-5 MS | 661. | Liu, Xu, et al., 2007 | 60. m/0.32 mm/1.0 μm, Helium; Program: 40 0C (2 min) 6 0C/min -> 100 0C 4 0C/min -> 180 0C 8 0C/min -> 250 0C (12 min) |
Capillary | OV-101 | 670. | Ebrahimi and Hadjmohammadi, 2006 | Program: not specified |
Capillary | Methyl Silicone | 651. | 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 | Apiezon L | 686. | Finkelstein, Kurbatova, et al., 2002 | Program: not specified |
Capillary | Methyl phenyl siloxane (not specified) | 662. | Poligne, Collignan, et al., 2002 | Program: not specified |
Capillary | BP-1 | 639.25 | Cooke, Hassoun, et al., 2001 | 50. m/0.25 mm/1. μm, He; Program: -50C => 49.9C/min => 5C(3min) => 3C/min => 50C => 5C/min => 220C(20 min) |
Capillary | CP Sil 8 CB | 663. | Duckham, Dodson, et al., 2001 | 60. m/0.25 mm/0.25 μm; Program: not specified |
Capillary | DB-5 MS | 671. | Luo and Agnew, 2001 | 30. m/0.25 mm/1.0 μm, Helium; Program: not specified |
Capillary | OV-101 | 664. | Zhu and Wang, 2001 | Program: not specified |
Capillary | DB-1 | 654. | Zhu and Wang, 2001 | Program: not specified |
Capillary | Methyl Silicone | 649. | Spieksma, 1999 | Program: not specified |
Capillary | Methyl Silicone | 657. | Zenkevich, 1998 | Program: not specified |
Capillary | SPB-1 | 655. | Flanagan, Streete, et al., 1997 | 60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C |
Capillary | DB-1 | 654. | Peng, 1996 | 30. m/0.53 mm/1.5 μm; Program: 40 0C (4 min) 8 0C/min -> 200 0C (1 min) 5 0C/min -> 280 0C (20 min) |
Capillary | SE-30 | 657. | Xiuhua, Zhang, et al., 1996 | Program: not specified |
Capillary | SE-30 | 664. | Xiuhua, Zhang, et al., 1996 | Program: not specified |
Capillary | Methyl Silicone | 657. | Zenkevich, 1996 | Program: not specified |
Capillary | DB-5 | 674. | Sorimachi, Tanabe, et al., 1995 | He; Column length: 30. m; Program: not specified |
Capillary | Methyl Silicone | 643. | Xu, Chu, et al., 1995 | Program: not specified |
Capillary | DB-1 | 640. | Ciccioli, Cecinato, et al., 1994 | 60. m/0.32 mm/0.25 μm; Program: not specified |
Capillary | DB-1 | 651. | Schuberth, 1994 | 30. m/0.25 mm/1. μm, He; Program: 40C (4min) => 10C/min => 200C => 50C/min => 250C |
Capillary | DB-1 | 640. | Ciccioli, Brancaleoni, et al., 1993 | 60. m/0.32 mm/0.25 μm; Program: 3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/min |
Capillary | SE-30 | 658. | Lou, Liu, et al., 1993 | Column diameter: 0.25 mm; Program: not specified |
Capillary | SPB-1 | 665. | 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 | 660. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: not specified |
Capillary | OV-1 | 648.6 | Engewald and Maurer, 1990 | Column length: 60. m; Column diameter: 0.32 mm; Program: 1) 1st 30m column temp ramp 4C/min 60-120C 2)2nd 30m column isothermal 100C |
Capillary | OV-1 | 658. | Engewald and Maurer, 1990 | Column length: 60. m; Column diameter: 0.32 mm; Program: 1) 1st 30m column temp ramp 4C/min 60-120C. 2) 2nd 30m column isothermal 120C. |
Capillary | OV-1 | 663.5 | Engewald and Maurer, 1990 | Column length: 60. m; Column diameter: 0.32 mm; Program: 1) 1st 30m column temp ramp 6C/min 60-120C. 2) 2nd 30m column isothermal 120C. |
Capillary | OV-1 | 664.6 | Engewald and Maurer, 1990 | Column length: 60. m; Column diameter: 0.32 mm; Program: 1)1st 30m column temp ramp 3C/min 60-120 2)2nd 30m column isothermal 120C |
Capillary | DB-1 | 644. | Binder, Flath, et al., 1989 | Column length: 60. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | DB-1 | 644. | Binder and Flath, 1989 | Column length: 60. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | Squalane | 650.4 | Dimov and Mekenyan, 1989 | Program: not specified |
Capillary | CP Sil 8 CB | 663. | 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 | DB-1 | 634. | Takeoka, Flath, et al., 1988 | 30. m/0.25 mm/0.25 μm, H2; Program: 30C (2min) => 2C/min => 150C => 4C/min => 250C |
Capillary | DB-1 | 644. | Takeoka, Flath, et al., 1988 | 30. m/0.25 mm/0.25 μm, H2; Program: 30C (2min) => 2C/min => 150C => 4C/min => 250C |
Capillary | SE-30 | 665. | P'yanova, Zvereva, et al., 1987 | Column length: 25. m; Column diameter: 0.25 mm; Program: not specified |
Capillary | SE-52 | 666. | van Langenhove and Schamp, 1986 | Column length: 100. m; Column diameter: 0.50 mm; Program: not specified |
Capillary | OV-1 | 669. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 653. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 673. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1 | 660. | Ramsey and Flanagan, 1982 | Program: not specified |
Capillary | SE-30 | 644. | Heydanek and McGorrin, 1981, 2 | He; Column length: 50. m; Column diameter: 0.5 mm; Program: -10C (8min) => 12C/min => 26C => 3C/min => 170C (30min) |
Packed | SE-30 | 665. | Robinson and Odell, 1971 | N2, Chromosorb W; Column length: 6.1 m; Program: 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold) |
Packed | Squalane | 645. | Robinson and Odell, 1971 | N2, Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min => 35 => 4C/min => 95C(hold) |
Packed | SE-30 | 665. | Robinson and Odell, 1971, 2 | Chrom W; Column length: 6.1 m; Program: 50C(10min) => 20C/min(2min) => 90C(6min) => 10C/min(6min) => (hold at 150C) |
Packed | Squalane | 645. | Robinson and Odell, 1971, 2 | Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min(5min) => 4C/min(15min) => (hold at 95C) |
Normal alkane RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Carbowax 20M | 100. | 975. | Sun, Siepmann, et al., 2006 | 30. m/0.25 mm/0.25 μm, Helium |
Capillary | Carbowax 20M | 120. | 982. | Sun, Siepmann, et al., 2006 | 30. m/0.25 mm/0.25 μm, Helium |
Capillary | Carbowax 20M | 140. | 994. | Sun, Siepmann, et al., 2006 | 30. m/0.25 mm/0.25 μm, Helium |
Capillary | Carbowax 20M | 60. | 956. | Sun, Siepmann, et al., 2006 | 30. m/0.25 mm/0.25 μm, Helium |
Capillary | Carbowax 20M | 80. | 965. | Sun, Siepmann, et al., 2006 | 30. m/0.25 mm/0.25 μm, Helium |
Capillary | PEG-40M | 100. | 959. | Nesterov, Nesterova, et al., 2000 | Column length: 50. m |
Capillary | PEG-40M | 100. | 960. | Nesterov, Nesterova, et al., 2000 | Column length: 50. m |
Capillary | PEG-40M | 120. | 965. | Nesterov, Nesterova, et al., 2000 | Column length: 50. m |
Capillary | PEG-40M | 60. | 947. | Nesterov, Nesterova, et al., 2000 | Column length: 50. m |
Capillary | PEG-40M | 80. | 952. | Nesterov, Nesterova, et al., 2000 | Column length: 50. m |
Capillary | Carbowax 20M | 90. | 933. | Sutter, Peterson, et al., 1997 |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 957. | Shimadzu, 2012 | 30. m/0.32 mm/0.50 μm, Helium, 4. K/min; Tstart: 40. C; Tend: 260. C |
Capillary | DB-Wax | 937. | Ganeko, Shoda, et al., 2008 | 4. K/min; Column length: 60. m; Column diameter: 0.35 mm; Tstart: 40. C; Tend: 200. C |
Capillary | DB-Wax | 955. | 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 | 957. | Shimadzu Corporation, 2003 | 30. m/0.32 mm/0.5 μm, He, 4. K/min; Tstart: 40. C; Tend: 260. C |
Capillary | Carbowax 20M | 983. | Kasali, Winterhalter, et al., 2002 | 30. m/0.25 mm/0.325 μm, He, 4. K/min, 215. C @ 20. min; Tstart: 50. C |
Capillary | DB-Wax | 934. | 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 | 932. | Horiuchi, Umano, et al., 1998 | 60. m/0.25 mm/1. μm, He, 3. K/min, 200. C @ 40. min; Tstart: 50. C |
Capillary | DB-Wax | 938. | Umano, Hagi, et al., 1995 | He, 40. C @ 2. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C |
Capillary | Carbowax 20M | 930. | Herain, MRAVEC, et al., 1991 | 70. C @ 21. min, 5. K/min, 150. C @ 999. min |
Capillary | DB-Wax | 937. | Binder, Benson, et al., 1990 | 4. K/min, 230. C @ 10. min; Column length: 60. m; Column diameter: 0.32 mm; Tstart: 50. C |
Capillary | DB-Wax | 937. | Binder, Turner, et al., 1990 | 4. K/min, 230. C @ 10. min; Column length: 60. m; Column diameter: 0.32 mm; Tstart: 50. C |
Capillary | DB-Wax | 938. | Binder, Flath, et al., 1989 | 50. C @ 0.1 min, 4. K/min, 230. C @ 10. min; Column length: 60. m; Column diameter: 0.32 mm |
Capillary | DB-Wax | 937. | Binder and Flath, 1989 | 50. C @ 0.1 min, 4. K/min, 250. C @ 5. min; Column length: 60. m; Column diameter: 0.32 mm |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SOLGel-Wax | 938. | 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 | 936. | Johanningsmeier and McFeeters, 2011 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | Supelko CO Wax | 951. | 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 | Supelcowax-10 | 936. | 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 | 938. | 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 | 924. | Narain, Galvao, et al., 2007 | 30. m/0.25 mm/0.25 μm, Helium; Program: 30 0C (5 min) 5 0C/min -> 100 0C (5 min) 1 0C/min -> 130 0C 10 0C/min -> 195 0C (45 min) |
Capillary | Carbowax 20M | 979. | Finkelstein, Kurbatova, et al., 2002 | Program: not specified |
Capillary | DB-Wax | 947. | Peng, 1996 | 30. m/0.53 mm/1.0 μm; Program: 40 0C (4 min) 4 0C/min -> 200 0C (20 min) |
Capillary | PEG-20M | 954. | Xiuhua, Zhang, et al., 1996 | Program: not specified |
Capillary | DB-Wax | 947. | Peng, Yang, et al., 1991 | Program: not specified |
Capillary | DB-Wax | 950. | Peng, Yang, et al., 1991 | Program: not specified |
Capillary | DB-Wax | 937. | Binder, Flath, et al., 1989 | Column length: 60. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | DB-Wax | 937. | Binder and Flath, 1989 | Column length: 60. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | Carbowax 20M | 935. | Dimov and Mekenyan, 1989 | Program: not specified |
Capillary | Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc. | 959. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc. | 965. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | Carbowax 20M | 948. | Ramsey and Flanagan, 1982 | Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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Notes
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- Symbols used in this document:
AE Appearance energy Cp,gas Constant pressure heat capacity of gas Cp,liquid Constant pressure heat capacity of liquid Cp,solid Constant pressure heat capacity of solid IE (evaluated) Recommended ionization energy Pc Critical pressure S°liquid Entropy of liquid at standard conditions S°solid,1 bar Entropy of solid at standard conditions (1 bar) T Temperature Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature Vc Critical volume ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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