Cyclohexane
- Formula: C6H12
- Molecular weight: 84.1595
- IUPAC Standard InChIKey: XDTMQSROBMDMFD-UHFFFAOYSA-N
- CAS Registry Number: 110-82-7
- 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: Benzene, hexahydro-; Hexahydrobenzene; Hexamethylene; Hexanaphthene; Cicloesano; Cykloheksan; Rcra waste number U056; UN 1145; NSC 406835
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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, 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 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 | -29.78 | kcal/mol | N/A | Spitzer and Huffman, 1947 | Value computed using ΔfHliquid° value of -157.7±1.8 kj/mol from Spitzer and Huffman, 1947 and ΔvapH° value of 33.1 kj/mol from Prosen, Johnson, et al., 1946.; DRB |
ΔfH°gas | -29.43 ± 0.19 | kcal/mol | Ccb | Prosen, Johnson, et al., 1946 | ALS |
ΔfH°gas | -29.47 | kcal/mol | N/A | Moore, Renquist, et al., 1940 | Value computed using ΔfHliquid° value of -156.4±1.3 kj/mol from Moore, Renquist, et al., 1940 and ΔvapH° value of 33.1 kj/mol from Prosen, Johnson, et al., 1946.; DRB |
Quantity | Value | Units | Method | Reference | Comment |
S°gas | 71.269 | cal/mol*K | N/A | Beckett C.W., 1947 | Close value of S(298.15 K)=298.78(0.75) J/mol*K was obtained by [43ASTSZA] from calorimetric data.; GT |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
8.143 | 50. | Dorofeeva O.V., 1986 | There is an appreciable difference (up to 3.0-4.5 J/mol*K) between selected values of S(T) and Cp(T) and earlier statistically calculated values [ Brickwedde F.G., 1946, Beckett C.W., 1947, Kilpatrick J.E., 1947, Lippincott E.R., 1966] at high temperatures. It is due to using the most reliable molecular constants in [ Dorofeeva O.V., 1986].; GT |
10.18 | 100. | ||
13.10 | 150. | ||
16.50 | 200. | ||
22.75 | 273.15 | ||
25.18 ± 0.48 | 298.15 | ||
25.361 | 300. | ||
35.526 | 400. | ||
45.096 | 500. | ||
53.389 | 600. | ||
60.378 | 700. | ||
66.217 | 800. | ||
71.085 | 900. | ||
75.148 | 1000. | ||
78.552 | 1100. | ||
81.417 | 1200. | ||
83.841 | 1300. | ||
85.908 | 1400. | ||
87.679 | 1500. |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
33.000 | 370. | Spitzer R., 1946 | Please also see Montgomery J.B., 1942.; GT |
34.21 ± 0.30 | 384. | ||
35.000 | 390. | ||
36.800 | 410. | ||
38.67 ± 0.40 | 428. | ||
41.70 ± 0.40 | 460. | ||
45.30 ± 0.50 | 495. | ||
47.00 ± 0.50 | 521. | ||
49.30 ± 0.50 | 544. |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -37.68 ± 0.42 | kcal/mol | Ccb | Spitzer and Huffman, 1947 | ALS |
ΔfH°liquid | -37.34 ± 0.19 | kcal/mol | Ccb | Prosen, Johnson, et al., 1946 | ALS |
ΔfH°liquid | -37.39 ± 0.32 | kcal/mol | Ccb | Moore, Renquist, et al., 1940 | Reanalyzed by Cox and Pilcher, 1970, Original value = -37.69 kcal/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -938. ± 5. | kcal/mol | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 48.731 | cal/mol*K | N/A | Aston, Szasa, et al., 1943 | DH |
S°liquid | 48.841 | cal/mol*K | N/A | Ruehrwein and Huffman, 1943 | DH |
S°liquid | 49.21 | cal/mol*K | N/A | Parks, Huffman, et al., 1930 | Extrapolation below 90 K, 50.54 J/mol*K.; DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
37.285 | 298.15 | Trejo, Costas, et al., 1991 | DH |
37.500 | 298.15 | Lainez, Rodrigo, et al., 1989 | DH |
34.39 | 326.5 | Voss and Sloan, 1989 | T = 326.5 to 450.0 K. Unsmoothed experimental datum.; DH |
37.275 | 298.15 | Saito and Tanaka, 1988 | DH |
36.883 | 298.15 | Shiohama, Ogawa, et al., 1988 | DH |
37.077 | 293.15 | Kalali, Kohler, et al., 1987 | T = 293.15, 313.15 K.; DH |
37.538 | 298.15 | Jimenez, Romani, et al., 1986 | DH |
37.249 | 298.15 | Ortega, 1986 | DH |
37.40 | 298.15 | Nkinamubanzi, Charlet, et al., 1985 | DH |
37.275 | 298.15 | Tanaka, Nakamichi, et al., 1985 | DH |
37.000 | 293.15 | Siddiqi, Svejda, et al., 1983 | DH |
37.38 | 298.15 | Grolier, Inglese, et al., 1982 | DH |
37.28 | 298.15 | Tanaka, 1982 | T = 293.15, 298.15, 303.15 K. Data at three temperatures.; DH |
37.3205 | 298.15 | Fortier, D'Arcy, et al., 1979 | DH |
37.314 | 298.15 | Vesely, Zabransky, et al., 1979 | DH |
37.38 | 298.15 | Wilhelm, Grolier, et al., 1979 | DH |
37.369 | 298.15 | Grolier, Wilhelm, et al., 1978 | DH |
37.45 | 298. | Safir, 1978 | T = 298 to 313 K. Data calculated from equation Cp = 1.7493 + 0.00452 T kJ/kg*K.; DH |
37.314 | 298.15 | Vesely, Svoboda, et al., 1977 | T = 298 to 318 K.; DH |
37.302 | 298.15 | Fortier, Benson, et al., 1976 | DH |
37.3016 | 298.15 | Fortier and Benson, 1976 | DH |
37.333 | 298.15 | Jolicoeur, Boileau, et al., 1975 | DH |
36.998 | 293.15 | Wilhelm, Zettler, et al., 1974 | T = 273 to 323 K.; DH |
38.15 | 298.15 | Subrahmanyam and Rajagopal, 1973 | T = 298 to 323 K.; DH |
37.09 | 298.15 | Wilhelm, Schano, et al., 1969 | Temperature 20, 30, and 40°C.; DH |
37.17 | 298. | Recko, 1968 | T = 24 to 40°C, equation only.; DH |
36.551 | 298. | Nikolaev, Rabinovich, et al., 1966 | T = 10 to 50°C.; DH |
37.120 | 298.00 | Moelwyn-Hughes and Thorpe, 1964 | T = 297 to 327 K.; DH |
37.09 | 311. | Swietoslawski and Zielenkiewicz, 1960 | Mean value 20 to 56°C.; DH |
36.85 | 300. | Auerbach, Sage, et al., 1950 | T = 300 to 366 K. Cp given as 0.4378 Btu/lb*R at 80°F.; DH |
37.249 | 295. | Aston, Szasa, et al., 1943 | T = 12 to 293 K.; DH |
37.359 | 298.15 | Ruehrwein and Huffman, 1943 | T = 13 to 302 K.; DH |
24.00 | 304.2 | Phillip, 1939 | DH |
34.39 | 298.9 | Parks, Huffman, et al., 1930 | T = 92 to 299 K. Value is unsmoothed experimental datum.; DH |
42.09 | 298. | Dejardin, 1919 | T = 22 to 50°C.; DH |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 353.9 ± 0.2 | K | AVG | N/A | Average of 93 out of 116 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 279.6 ± 0.3 | K | AVG | N/A | Average of 38 out of 47 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 279.7 ± 0.4 | K | AVG | N/A | Average of 8 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 554. ± 1. | K | AVG | N/A | Average of 18 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 40.1 ± 0.5 | atm | AVG | N/A | Average of 8 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.308 | l/mol | N/A | Daubert, 1996 | |
Vc | 0.309 | l/mol | N/A | Young, 1972 | Uncertainty assigned by TRC = 0.003 l/mol; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 3.24 ± 0.03 | mol/l | N/A | Daubert, 1996 | |
ρc | 3.26 | mol/l | N/A | Teja and Anselme, 1990 | Uncertainty assigned by TRC = 0.07 mol/l; TRC |
ρc | 3.230 | mol/l | N/A | Simon, 1957 | Uncertainty assigned by TRC = 0.04 mol/l; TRC |
ρc | 3.250 | mol/l | N/A | Young, 1910 | Uncertainty assigned by TRC = 0.02 mol/l; TRC |
ρc | 3.247 | mol/l | N/A | Young and Fortey, 1899 | Uncertainty assigned by TRC = 0.06 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 7.91 ± 0.09 | kcal/mol | AVG | N/A | Average of 19 out of 21 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
7.163 | 353.9 | N/A | Majer and Svoboda, 1985 | |
7.9670 | 298.15 | N/A | Aston, Szasa, et al., 1943 | P = 13.18 kPa; DH |
7.91 | 315. | EB | Gierycz, Kosowski, et al., 2009 | Based on data from 296. to 353. K.; AC |
7.82 | 315. | N/A | Lubomska, Banas, et al., 2002 | Based on data from 300. to 345. K.; AC |
7.62 | 324. | EB | Diogo, Santos, et al., 1995 | Based on data from 313. to 336. K.; AC |
7.70 | 375. | N/A | Lee and Holder, 1993 | Based on data from 360. to 470. K.; AC |
7.72 | 314. | C | Dong, Lin, et al., 1988 | AC |
7.43 | 332. | C | Dong, Lin, et al., 1988 | AC |
7.24 | 345. | C | Dong, Lin, et al., 1988 | AC |
7.17 | 355. | C | Dong, Lin, et al., 1988 | AC |
7.39 | 368. | A | Stephenson and Malanowski, 1987 | Based on data from 353. to 414. K.; AC |
7.07 | 427. | A | Stephenson and Malanowski, 1987 | Based on data from 412. to 491. K.; AC |
7.07 | 504. | A | Stephenson and Malanowski, 1987 | Based on data from 489. to 553. K.; AC |
7.86 | 308. | A,MM | Stephenson and Malanowski, 1987 | Based on data from 293. to 355. K. See also Willingham, Taylor, et al., 1945.; AC |
7.72 ± 0.02 | 313. | C | Majer, Svoboda, et al., 1979 | AC |
7.46 ± 0.02 | 333. | C | Majer, Svoboda, et al., 1979 | AC |
7.41 ± 0.02 | 338. | C | Majer, Svoboda, et al., 1979 | AC |
7.27 ± 0.02 | 348. | C | Majer, Svoboda, et al., 1979 | AC |
7.19 ± 0.02 | 353. | C | Majer, Svoboda, et al., 1979 | AC |
7.70 ± 0.02 | 313. | C | Svoboda, Veselý, et al., 1973 | AC |
7.62 ± 0.02 | 323. | C | Svoboda, Veselý, et al., 1973 | AC |
7.43 ± 0.02 | 333. | C | Svoboda, Veselý, et al., 1973 | AC |
7.31 ± 0.02 | 343. | C | Svoboda, Veselý, et al., 1973 | AC |
7.19 ± 0.02 | 354. | C | Svoboda, Veselý, et al., 1973 | AC |
7.77 | 318. | N/A | Gaw and Swinton, 1968 | Based on data from 303. to 343. K.; AC |
7.86 | 313. | N/A | Cruickshank and Cutler, 1967 | Based on data from 298. to 348. K.; AC |
7.84 | 331. | N/A | Marinichev and Susarev, 1965 | Based on data from 316. to 354. K.; AC |
7.50 ± 0.02 | 324. | C | McCullough, Person, et al., 1951 | AC |
7.27 ± 0.02 | 346. | C | McCullough, Person, et al., 1951 | AC |
7.19 | 354. | N/A | Spitzer and Pitzer, 1946 | 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) | 292. to 422. |
---|---|
A (kcal/mol) | 10.35 |
α | -0.1437 |
β | 0.4512 |
Tc (K) | 553.4 |
Reference | Majer and Svoboda, 1985 |
Entropy of vaporization
ΔvapS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
26.721 | 298.15 | Aston, Szasa, et al., 1943 | P; DH |
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 |
---|---|---|---|---|---|
323. to 523. | 4.13412 | 1316.554 | -35.581 | Kerns, Anthony, et al., 1974 | Coefficents calculated by NIST from author's data. |
303. to 343. | 3.9863 | 1216.93 | -48.621 | Gaw and Swinton, 1968, 2 | Coefficents calculated by NIST from author's data. |
315.70 to 353.90 | 3.16554 | 780.637 | -107.29 | Marinichev and Susarev, 1965, 2 | Coefficents calculated by NIST from author's data. |
293.06 to 354.73 | 3.96417 | 1203.526 | -50.287 | Williamham, Taylor, et al., 1945 |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
6.60 | 265. | A | Stephenson and Malanowski, 1987 | Based on data from 223. to 280. K.; AC |
11.1 | 186. | B | Bondi, 1963 | AC |
8.89 | 273. | N/A | Jones, 1960 | Based on data from 268. to 278. K.; AC |
9.01 | 248. | A | Stull, 1947 | Based on data from 228. to 268. K.; AC |
8.72 | 274. | A | Rotinjanz and Nagornow, 1934 | Based on data from 269. to 279. K.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
0.641 | 279.8 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
8.65 | 186.1 | Domalski and Hearing, 1996 | CAL |
2.29 | 279.8 |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
1.598 | 186.09 | crystaline, II | crystaline, I | Aston, Szasa, et al., 1943 | DH |
0.6281 | 279.84 | crystaline, I | liquid | Aston, Szasa, et al., 1943 | DH |
1.6108 | 186.1 | crystaline, II | crystaline, I | Ruehrwein and Huffman, 1943 | DH |
0.63979 | 279.82 | crystaline, I | liquid | Ruehrwein and Huffman, 1943 | DH |
1.630 | 186.4 | crystaline, II | crystaline, I | Ziegler and Andrews, 1942 | DH |
0.6520 | 279.4 | crystaline, I | liquid | Ziegler and Andrews, 1942 | DH |
1.490 | 185.9 | crystaline, II | crystaline, I | Parks, Huffman, et al., 1930 | DH |
0.5791 | 279.3 | crystaline, I | liquid | Parks, Huffman, et al., 1930 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
8.587 | 186.09 | crystaline, II | crystaline, I | Aston, Szasa, et al., 1943 | DH |
2.24 | 279.84 | crystaline, I | liquid | Aston, Szasa, et al., 1943 | DH |
8.654 | 186.1 | crystaline, II | crystaline, I | Ruehrwein and Huffman, 1943 | DH |
2.29 | 279.82 | crystaline, I | liquid | Ruehrwein and Huffman, 1943 | DH |
8.745 | 186.4 | crystaline, II | crystaline, I | Ziegler and Andrews, 1942 | DH |
2.33 | 279.4 | crystaline, I | liquid | Ziegler and Andrews, 1942 | DH |
8.014 | 185.9 | crystaline, II | crystaline, I | Parks, Huffman, et al., 1930 | DH |
2.07 | 279.3 | crystaline, I | liquid | Parks, Huffman, et al., 1930 | DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
By formula: C6H10 + H2 = C6H12
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -28. ± 1. | kcal/mol | AVG | N/A | Average of 8 values; Individual data points |
By formula: H4N+ + C6H12 = (H4N+ • C6H12)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9. | kcal/mol | PHPMS | Deakyne and Meot-Ner (Mautner), 1985 | gas phase; Entropy change calculated or estimated, DG<, ΔrH<; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | N/A | Deakyne and Meot-Ner (Mautner), 1985 | gas phase; Entropy change calculated or estimated, DG<, ΔrH<; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
2.8 | 317. | PHPMS | Deakyne and Meot-Ner (Mautner), 1985 | gas phase; Entropy change calculated or estimated, DG<, ΔrH<; M |
By formula: C6H6+ + C6H12 = (C6H6+ • C6H12)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.2 | kcal/mol | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27. | cal/mol*K | N/A | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.2 | 295. | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; Entropy change calculated or estimated; M |
C6H11- + =
By formula: C6H11- + H+ = C6H12
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 418.3 ± 2.0 | kcal/mol | Bran | Peerboom, Rademaker, et al., 1992 | gas phase; B |
ΔrH° | 406.82 ± 0.90 | kcal/mol | G+TS | Bohme, Lee-Ruff, et al., 1972 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 409.5 ± 2.2 | kcal/mol | H-TS | Peerboom, Rademaker, et al., 1992 | gas phase; B |
ΔrG° | >398.00 | kcal/mol | IMRB | Bohme, Lee-Ruff, et al., 1972 | gas phase; B |
By formula: 2H2 + C6H8 = C6H12
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -53.64 ± 0.29 | kcal/mol | Chyd | Turner, Mallon, et al., 1973 | liquid phase; solvent: Glacial acetic acid; ALS |
ΔrH° | -54.88 ± 0.10 | kcal/mol | Chyd | Kistiakowsky, Ruhoff, et al., 1936 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -55.4 ± 0.1 kcal/mol; At 355 °K; ALS |
By formula: 2H2 + C6H8 = C6H12
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -55.6 | kcal/mol | Chyd | Roth, Adamczak, et al., 1991 | liquid phase; ALS |
ΔrH° | -53.90 ± 0.33 | kcal/mol | Chyd | Turner, Mallon, et al., 1973 | liquid phase; solvent: Glacial acetic acid; ALS |
By formula: C3H9Si+ + C6H12 = (C3H9Si+ • C6H12)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 37.9 | kcal/mol | PHPMS | Li and Stone, 1989 | gas phase; condensation; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 48.1 | cal/mol*K | PHPMS | Li and Stone, 1989 | gas phase; condensation; M |
By formula: 3H2 + C6H6 = C6H12
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -49.06 ± 0.15 | kcal/mol | Chyd | Kistiakowsky, Ruhoff, et al., 1936 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -49.80 ± 0.15 kcal/mol; At 355 °K; ALS |
By formula: HI + C6H11I = C6H12 + I2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -7.8 ± 2.0 | kcal/mol | Cm | Brennan and Ubbelohde, 1956 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -6.8 ± 1.0 kcal/mol; ALS |
By formula: Li+ + C6H12 = (Li+ • C6H12)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 24. | kcal/mol | ICR | Staley and Beauchamp, 1975 | gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M |
By formula: C6H12 = C6H12
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -3.510 | kcal/mol | Eqk | Glasebrook and Lovell, 1939 | liquid phase; Heat of isomerization; ALS |
By formula: 2H2 + C6H8 = C6H12
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -102.0 ± 1.9 | kcal/mol | Chyd | Roth, Adamczak, et al., 1991 | liquid phase; ALS |
By formula: C6H12O = C6H12 + H2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.2 ± 0.55 | kcal/mol | Eqk | Fedoseenko, Yursha, et al., 1983 | gas phase; At 502 K; ALS |
By formula: C6H11Cl + HCl = C6H12 + Cl2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -34.20 | kcal/mol | Cm | Kirkbride, 1956 | liquid phase; ALS |
By formula: C6H12 = C6H12
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.32 ± 0.28 | kcal/mol | Eqk | Kabo and Andreevskii, 1973 | liquid phase; ALS |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to C6H12+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 9.88 ± 0.03 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 164.2 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 159.4 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.80 ± 0.05 | EI | Holmes and Lossing, 1991 | LL |
10.0 ± 0.03 | EI | Arimura and Yoshikawa, 1984 | LBLHLM |
9.82 | EQ | Sieck and Mautner(Meot-Ner), 1982 | LBLHLM |
9.88 ± 0.10 | EQ | Lias, 1982 | LBLHLM |
9.88 | PE | Kovac and Klasinc, 1978 | LLK |
9.88 ± 0.02 | PE | Bieri, Burger, et al., 1977 | LLK |
9.88 | EI | Lossing and Traeger, 1975 | LLK |
9.89 ± 0.01 | PE | Rang, Paldoia, et al., 1974 | LLK |
9.83 ± 0.05 | EI | Puttemans, 1974 | LLK |
9.84 | PE | Puttemans, 1974 | LLK |
9.88 ± 0.01 | PI | Sergeev, Akopyan, et al., 1973 | LLK |
9.87 | PE | Ikuta, Yoshihara, et al., 1973 | LLK |
9.88 ± 0.01 | S | Raymonda, 1972 | LLK |
9.89 | PE | Demeo and Yencha, 1970 | RDSH |
9.81 | PE | Dewar and Worley, 1969 | RDSH |
9.79 | PE | Al-Joboury and Turner, 1964 | RDSH |
9.88 ± 0.02 | PI | Watanabe, 1957 | RDSH |
11.0 ± 0.2 | EI | Hustrulid, Kusch, et al., 1938 | RDSH |
10.32 | PE | Kimura, Katsumata, et al., 1981 | Vertical value; LLK |
10.3 ± 0.1 | PE | Bieri, Burger, et al., 1977 | Vertical value; LLK |
10.3 | PE | Bruckmann and Klessinger, 1973 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C3H5+ | 13.20 ± 0.08 | C3H7 | EI | Rabbih, Selim, et al., 1981 | LLK |
C3H6+ | 12.00 ± 0.07 | C3H6 | EI | Rabbih, Selim, et al., 1981 | LLK |
C3H6+ | 11.23 ± 0.04 | C3H6 | PI | Sergeev, Akopyan, et al., 1973 | LLK |
C3H7+ | 13.50 ± 0.08 | C3H5 | EI | Rabbih, Selim, et al., 1981 | LLK |
C3H7+ | 11.49 ± 0.03 | C3H5 | PI | Sergeev, Akopyan, et al., 1973 | LLK |
C4H7+ | 11.21 ± 0.04 | C2H5 | PI | Sergeev, Akopyan, et al., 1973 | LLK |
C4H8+ | 11.15 ± 0.03 | C2H4 | EI | Rabbih, Selim, et al., 1981 | LLK |
C4H8+ | 11.45 | C2H4 | EI | Puttemans, 1974 | LLK |
C4H8+ | 11.08 ± 0.01 | C2H4 | PI | Sergeev, Akopyan, et al., 1973 | LLK |
C5H9+ | 9.88 | CH3 | EI | Lossing and Traeger, 1975, 2 | LLK |
C5H9+ | ≤11.06 | CH3 | EI | Lossing and Traeger, 1975 | LLK |
C5H9+ | 11.15 | CH3 | EI | Puttemans, 1974 | LLK |
C5H9+ | 11.07 ± 0.04 | CH3 | PI | Sergeev, Akopyan, et al., 1973 | LLK |
C6H11+ | 11.32 ± 0.05 | H | PI | Sergeev, Akopyan, et al., 1973 | LLK |
C6H11+ | 11.66 | H | EI | Pottie, Harrison, et al., 1961 | RDSH |
De-protonation reactions
C6H11- + =
By formula: C6H11- + H+ = C6H12
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 418.3 ± 2.0 | kcal/mol | Bran | Peerboom, Rademaker, et al., 1992 | gas phase; B |
ΔrH° | 406.82 ± 0.90 | kcal/mol | G+TS | Bohme, Lee-Ruff, et al., 1972 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 409.5 ± 2.2 | kcal/mol | H-TS | Peerboom, Rademaker, et al., 1992 | gas phase; B |
ΔrG° | >398.00 | kcal/mol | IMRB | Bohme, Lee-Ruff, et al., 1972 | 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, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compiled by: Coblentz Society, Inc.
- GAS (25 mmHg, N2 ADDED, TOTAL PRESSURE 600 mmHg); PERKIN-ELMER 180; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 2 cm-1 resolution
- LIQUID (NEAT); DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY; 2 cm-1 resolution
- SOLUTION (10% CCl4 FOR 3800-1350, AND 10% CS2 FOR 1350-400 CM-1); DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY; 2 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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
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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, 1998. |
NIST MS number | 291493 |
Gas Chromatography
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), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | HP-1 | 0. | 664.1 | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Capillary | HP-1 | 10. | 660.1 | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Capillary | HP-1 | 20. | 665.7 | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Capillary | HP-1 | 30. | 662.3 | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Capillary | HP-1 | 40. | 661.2 | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Capillary | HP-1 | 50. | 661.9 | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Capillary | HP-1 | 60. | 662.9 | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Packed | PMS-1000 | 90. | 681. | Arutyunov, Kudryashov, et al., 2004 | N2, Chromaton N-AW-DMCS; Column length: 2. m |
Packed | SE-30 | 160. | 676. | Kurbatova, Finkelstein, et al., 2004 | Chromaton N-AW; Column length: 1. m |
Capillary | Squalane | 70. | 667.14 | Soják, 2004 | H2 |
Capillary | Squalane | 70. | 667.02 | Soják, 2004 | N2 |
Capillary | Squalane | 70. | 667.46 | Soják, 2004 | N2 |
Capillary | OV-101 | 40. | 656.8 | Chen, Liang, et al., 2001 | He; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | OV-101 | 60. | 662.2 | Chen, Liang, et al., 2001 | He; Column length: 50. m; Column diameter: 0.25 mm |
Packed | C78, Branched paraffin | 130. | 693.6 | Dallos, Sisak, et al., 2000 | He; Column length: 3.3 m |
Capillary | HP-101 | 60. | 663.35 | Garay, 2000 | 50. m/0.2 mm/0.2 μm, H2 |
Capillary | OV-101 | 110. | 668. | Zhuravleva, 2000 | 50. m/0.3 mm/0.4 μm, He |
Capillary | OV-101 | 0. | 649. | Skrbic, 1997 | |
Capillary | OV-101 | 0. | 650. | Skrbic, 1997 | |
Capillary | CP Sil 2 | 60. | 672.0 | Estel, Mohnke, et al., 1995 | 100. m/0.25 mm/0.25 μm |
Capillary | OV-101 | 150. | 688.3 | Cha and Lee, 1994 | Column length: 20. m; Column diameter: 0.5 mm |
Capillary | OV-101 | 180. | 697.9 | Cha and Lee, 1994 | Column length: 20. m; Column diameter: 0.5 mm |
Capillary | Squalane | 25. | 658. | Hilal, Carreira, et al., 1994 | |
Capillary | CP Sil 5 CB | 20. | 655.7 | Do and Raulin, 1992 | 25. m/0.15 mm/2. μm, H2 |
Packed | C78, Branched paraffin | 130. | 692.8 | Reddy, Dutoit, et al., 1992 | Chromosorb G HP; Column length: 3.3 m |
Capillary | BP-1 | 0. | 649. | Skrbic and Cvejanov, 1992 | 15. m/0.53 mm/1.0 μm, N2 |
Packed | Apolane | 130. | 694. | Dutoit, 1991 | Column length: 3.7 m |
Capillary | OV-1 | 45. | 660.6 | Guan, Kiraly, et al., 1989 | 20. m/0.32 mm/1.2 μm, He |
Capillary | OV-1 | 65. | 665.6 | Guan, Kiraly, et al., 1989 | 20. m/0.32 mm/1.2 μm, He |
Capillary | OV-1 | 45. | 660.6 | Guan, Kiraly, et al., 1989 | 25. m/0.31 mm/0.52 μm, He |
Capillary | OV-1 | 65. | 665.6 | Guan, Kiraly, et al., 1989 | 25. m/0.31 mm/0.52 μm, He |
Capillary | Squalane | 50. | 662.7 | Guan, Kiraly, et al., 1989 | 50. m/0.22 mm/0.21 μm, He |
Capillary | Squalane | 70. | 667.1 | Guan, Kiraly, et al., 1989 | 50. m/0.22 mm/0.21 μm, He |
Capillary | HP-1 | 60. | 663. | Bangjie, Yijian, et al., 1988 | N2; Column length: 25. m; Column diameter: 0.20 mm |
Capillary | HP-1 | 60. | 664. | Bangjie, Yijian, et al., 1988 | N2; Column length: 25. m; Column diameter: 0.20 mm |
Capillary | OV-101 | 40. | 658. | Laub and Purnell, 1988 | |
Capillary | OV-101 | 60. | 663. | Laub and Purnell, 1988 | |
Capillary | OV-101 | 80. | 668. | Laub and Purnell, 1988 | |
Packed | OV-101 | 120. | 676. | Litvinenko, Isakova, et al., 1988 | He, Chromaton W AW; Column length: 2.4 m |
Capillary | Squalane | 50. | 662. | Lunskii and Paizanskaya, 1988 | He; Column length: 50. m; Column diameter: 0.22 mm |
Capillary | Squalane | 70. | 666.4 | Lunskii and Paizanskaya, 1988 | He; Column length: 50. m; Column diameter: 0.22 mm |
Capillary | OV-1 | 100. | 671.1 | Engewald, Billing, et al., 1987 | Column length: 50. m; Column diameter: 0.3 mm |
Capillary | OV-101 | 100. | 674. | Engewald, Topalova, et al., 1987 | Column length: 50. m; Column diameter: 0.30 mm |
Packed | Apolane | 150. | 680. | Evans and Haken, 1987 | He, Chromosorb G AW DCMS; Column length: 3.7 m |
Packed | Squalane | 80. | 669. | Fernández-Sánchez, García-Domínguez, et al., 1987 | H2 |
Capillary | OV-101 | 40. | 658.7 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
Capillary | OV-101 | 50. | 660.9 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
Capillary | OV-101 | 60. | 663.2 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
Capillary | OV-101 | 70. | 665.5 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
Packed | Apolane | 150. | 680. | Haken and Vernon, 1986 | Chromosorb G AW DCMS; Column length: 3.7 m |
Capillary | OV-1 | 100. | 673.6 | Anders, Anders, et al., 1985 | 55. m/0.21 mm/0.35 μm, N2 |
Packed | SE-30 | 180. | 658. | Oszczapowicz, Osek, et al., 1985 | N2, Chromosorb A AW; Column length: 3. m |
Packed | SE-30 | 150. | 685. | Tiess, 1984 | Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m |
Capillary | OV-101 | 30. | 656. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 40. | 658. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 50. | 660. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 60. | 663. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 70. | 665. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 80. | 668. | Chien, Furio, et al., 1983 | |
Capillary | OV-3 | 30. | 664.5 | Chien, Furio, et al., 1983, 2 | |
Capillary | OV-3 | 40. | 666.8 | Chien, Furio, et al., 1983, 2 | |
Capillary | OV-3 | 50. | 669.2 | Chien, Furio, et al., 1983, 2 | |
Capillary | OV-3 | 60. | 671.7 | Chien, Furio, et al., 1983, 2 | |
Capillary | OV-3 | 70. | 674.4 | Chien, Furio, et al., 1983, 2 | |
Capillary | OV-3 | 80. | 677.3 | Chien, Furio, et al., 1983, 2 | |
Capillary | DB-1 | 60. | 663.7 | Lubeck and Sutton, 1983 | Column length: 60. m; Column diameter: 0.264 mm |
Capillary | DB-1 | 60. | 664.2 | Lubeck and Sutton, 1983 | 60. m/0.259 mm/1. μm |
Packed | SE-30 | 100. | 675. | Winskowski, 1983 | Gaschrom Q; Column length: 2. m |
Capillary | OV-1 | 50. | 661. | Anders, Scheller, et al., 1982 | Column length: 55. m; Column diameter: 0.21 mm |
Capillary | SE-30 | 130. | 683. | Bredael, 1982 | Column length: 100. m; Column diameter: 0.5 mm |
Capillary | SE-30 | 80. | 669. | Bredael, 1982 | Column length: 100. m; Column diameter: 0.5 mm |
Packed | Porapack Q | 200. | 639. | Goebel, 1982 | N2 |
Packed | Apiezon L | 70. | 680. | Jaworski, 1982 | Column length: 1.8 m |
Capillary | OV-101 | 50. | 661. | Johansen and Ettre, 1982 | 100. m/0.27 mm/0.20 μm |
Capillary | OV-101 | 50. | 661. | Johansen and Ettre, 1982 | 55. m/0.27 mm/0.9 μm |
Capillary | OV-1 | 50. | 662. | Johansen and Ettre, 1982 | 17.5 m/0.2 mm/0.15 μm |
Capillary | SE-30 | 50. | 661. | Johansen and Ettre, 1982 | 17.5 m/0.2 mm/0.15 μm |
Capillary | SF-96 | 50. | 661. | Johansen and Ettre, 1982 | 91.4 m/0.31 mm/0.20 μm |
Capillary | OV-1 | 30. | 657.2 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | OV-1 | 40. | 659.6 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | OV-1 | 50. | 662.1 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | OV-1 | 60. | 664.7 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | OV-1 | 70. | 667.4 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | OV-1 | 80. | 670.3 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 30. | 657. | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 40. | 659.1 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 50. | 661.3 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 60. | 663.6 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 70. | 666.1 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 80. | 668.8 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | Squalane | 50. | 662. | Mitra, 1981 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 50. | 663. | Mitra, 1981 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | SE-30 | 80. | 669.2 | Albaigés and Guardino, 1980 | He; Column length: 64. m; Column diameter: 0.25 mm |
Capillary | Squalane | 80. | 668.1 | Albaigés and Guardino, 1980 | He; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Apiezon L | 100. | 690. | Morishita, Okano, et al., 1980 | Column length: 45. m; Column diameter: 0.25 mm |
Packed | Squalane | 100. | 675. | Nabivach and Kirilenko, 1980 | He, Chromaton N-AW-HMDS; Column length: 1. m |
Capillary | Squalane | 50. | 662.7 | Bajus, Veselý, et al., 1979 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 663.9 | Bajus, Veselý, et al., 1979 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 50. | 662.78 | Pacáková and Koslík, 1978 | 50. m/0.2 mm/0.5 μm, N2 |
Capillary | Squalane | 100. | 674. | Rang, Orav, et al., 1977 | Nitrogen or helium; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 100. | 664. | Lulova, Leont'eva, et al., 1976 | He; Column length: 120. m; Column diameter: 0.25 mm |
Capillary | Squalane | 100. | 668.8 | Lulova, Leont'eva, et al., 1976 | He; Column length: 120. m; Column diameter: 0.25 mm |
Capillary | Squalane | 100. | 667.8 | Lulova, Leont'eva, et al., 1976 | He; Column length: 120. m; Column diameter: 0.25 mm |
Packed | Apolane | 70. | 675.6 | Riedo, Fritz, et al., 1976 | He, Chromosorb; Column length: 2.4 m |
Packed | Squalane | 100. | 671. | Vernon and Edwards, 1975 | N2, DCMS-treated Celite; Column length: 1. m |
Capillary | Squalane | 42.5 | 660. | Engewald, Epsch, et al., 1974 | N2; Column length: 100. m; Column diameter: 0.23 mm |
Capillary | Squalane | 70. | 668. | Engewald, Epsch, et al., 1974 | N2; Column length: 100. m; Column diameter: 0.23 mm |
Packed | SE-30 | 120. | 663. | Pascal, Heintz, et al., 1974 | Column length: 2. m |
Packed | SE-30 | 140. | 668. | Pascal, Heintz, et al., 1974 | Column length: 2. m |
Packed | SE-30 | 160. | 674. | Pascal, Heintz, et al., 1974 | Column length: 2. m |
Capillary | Squalane | 50. | 663. | Rijks and Cramers, 1974 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 667. | Rijks and Cramers, 1974 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 100. | 674. | Besson and Gäumann, 1973 | Column length: 50. m; Column diameter: 0.25 mm |
Capillary | Apiezon L | 100. | 689. | Besson and Gäumann, 1973 | Column length: 50. m; Column diameter: 0.25 mm |
Capillary | Apiezon L | 50. | 669. | Gäumann and Bonzo, 1973 | Column length: 100. m |
Capillary | Squalane | 50. | 662. | Gäumann and Bonzo, 1973 | Column length: 100. m |
Capillary | OV-101 | 50. | 662. | Pacáková, Hoch, et al., 1973 | 25. m/0.25 mm/1.39 μm, N2 |
Capillary | OV-101 | 60. | 664. | Pacáková, Hoch, et al., 1973 | 25. m/0.25 mm/1.39 μm, N2 |
Capillary | Squalane | 100. | 675.7 | Schomburg and Dielmann, 1973 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 120. | 682. | Agrawal, Tesarík, et al., 1972 | N2, Celite 545; Column length: 50. m; Column diameter: 0.3 mm |
Capillary | Squalane | 86. | 674. | Agrawal, Tesarík, et al., 1972 | N2, Celite 545; Column length: 50. m; Column diameter: 0.3 mm |
Packed | Apiezon L | 130. | 683. | Paris and Alexandre, 1972 | Chromosorb W AW |
Capillary | Vacuum Grease Oil (VM-4) | 35. | 662. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 45. | 665. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 50. | 667. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 58. | 669. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 68. | 672. | Sidorov, Petrova, et al., 1972 | |
Capillary | Squalane | 70. | 663.8 | Dimov and Schopov, 1971 | Column length: 100. m; Column diameter: 0.25 mm |
Packed | SE-30 | 75. | 667. | Robinson and Odell, 1971 | N2, Chromosorb W; Column length: 6.1 m |
Packed | Squalane | 100. | 674. | Robinson and Odell, 1971 | N2, Embacel; Column length: 3.0 m |
Packed | Vacuum Grease Oil (VM-4) | 35. | 662. | Sidorov, Ivanova, et al., 1971 | |
Packed | Apiezon L | 100. | 700. | Wagaman and Smith, 1971 | CH4; Column length: 3. m |
Capillary | Squalane | 70. | 667. | Cramers, Rijks, et al., 1970 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 667. | Cramers, Rijks, et al., 1970 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 667. | Cramers, Rijks, et al., 1970 | Column length: 100. m; Column diameter: 0.25 mm |
Packed | SE-30 | 130. | 676. | Mitra and Saha, 1970 | N2 |
Packed | SE-30 | 80. | 667. | Mitra and Saha, 1970 | N2 |
Packed | Apiezon L | 100. | 688. | Brown, Chapman, et al., 1968 | N2, DCMS-treated Chromosorb W; Column length: 2.3 m |
Packed | Squalane | 27. | 658. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 49. | 664. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 67. | 668. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 86. | 672. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 22. | 656. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 30. | 658. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 40. | 660. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 55. | 664. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 70. | 667. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | DC-200 | 100. | 675. | Rohrschneider, 1966 | Column length: 4. m |
Packed | Squalane | 100. | 675. | Rohrschneider, 1966 | Column length: 5. m |
Packed | Apiezon L | 100. | 689. | Rohrschneider, 1966 | Column length: 5. m |
Capillary | Squalane | 120. | 675. | Schomburg, 1966 | |
Capillary | Squalane | 70. | 668. | Schomburg, 1966 | |
Capillary | Squalane | 80. | 668. | Schomburg, 1966 | |
Packed | Methyl Silicone | 130. | 676. | Antheaume and Guiochon, 1965 | |
Packed | Squalane | 150. | 688. | Schomburg, 1964 | |
Packed | Apiezon L | 70. | 676. | 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 | OV-101 | 650. | 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 | 678. | 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 | Petrocol DH-100 | 657.8 | 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 | 658. | 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 |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | Carbowax 20M | 160. | 740. | Kurbatova, Finkelstein, et al., 2004 | Chromaton N-AW; Column length: 1. m |
Capillary | PEG 4000 | 100. | 766. | Rang, Orav, et al., 1988 | |
Capillary | PEG 4000 | 60. | 748. | Rang, Orav, et al., 1988 | |
Capillary | PEG 4000 | 70. | 752. | Rang, Orav, et al., 1988 | |
Capillary | PEG 4000 | 80. | 757. | Rang, Orav, et al., 1988 | |
Packed | Carbowax 20M | 150. | 740. | Haken and Vernon, 1986 | Chromosorb G AW DCMS; Column length: 3.7 m; Column diameter: 6.4 mm |
Packed | Carbowax 20M | 75. | 735. | Goebel, 1982 | N2, Kieselgur (60-100 mesh); Column length: 2. m |
Capillary | PEG-20M | 100. | 742. | Morishita, Okano, et al., 1980 | Column length: 75. m; Column diameter: 0.25 mm |
Capillary | PEG 4000 | 100. | 766. | Rang, Orav, et al., 1977 | Nitrogen or Helium; Column length: 45. m; Column diameter: 0.25 mm |
Packed | Carbowax 20M | 120. | 726. | Pascal, Heintz, et al., 1974 | Column length: 2. m |
Packed | Carbowax 20M | 140. | 732. | Pascal, Heintz, et al., 1974 | Column length: 2. m |
Packed | Carbowax 20M | 160. | 738. | Pascal, Heintz, et al., 1974 | Column length: 2. m |
Packed | Carbowax 20M | 100. | 752. | Rohrschneider, 1966 | Column length: 2. m |
Kovats' RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 722. | Umano and Shibamoto, 1988 | 40. C @ 10. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 220. C |
Capillary | DB-Wax | 722. | Umano and Shibamoto, 1988 | 40. C @ 10. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 220. C |
Capillary | DB-Wax | 722. | Umano and Shibamoto, 1987 | He, 40. C @ 10. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C |
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 | Petrocol DH | 655.8 | 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 | SPB-1 | 647.56 | 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 | 648.22 | 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 | 656.2 | 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 | 654.9 | 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 | 655.4 | 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 | 656.2 | 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 | 657.6 | Song, Lai, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 6. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | OV-101 | 654.6 | 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 | DB-5 | 655.4 | 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 | 656.2 | 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 | 657.6 | 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 | 656.2 | 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 | 654.9 | 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 | 651.20 | 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 | 651.24 | Subramaniam, Bochniak, et al., 1994 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Capillary | Ultra-1 | 651. | Olson, Sinkevitch, et al., 1992 | 4. K/min; Tstart: -40. C; Tend: 230. C |
Capillary | Petrocol DH | 651.09 | 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 | 651.14 | 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 | 651. | White, Hackett, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Capillary | Petrocol DH | 668. | White, Hackett, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Capillary | HP-1 | 660.8 | Bangjie, Xijian, et al., 1987 | N2, 10. K/min; Column length: 25. m; Column diameter: 0.2 mm; Tstart: 30. C |
Capillary | HP-1 | 657.3 | Bangjie, Xijian, et al., 1987 | N2, 2. K/min; Column length: 25. m; Column diameter: 0.2 mm; Tstart: 30. C |
Capillary | HP-1 | 656.4 | 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 | 647.36 | 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 | 650.41 | 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 | 652.19 | 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 | 653.15 | 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 | 656.24 | 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 | 658.10 | 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 | 662. | 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-101 | 650. | Hayes and Pitzer, 1981 | 108. m/0.25 mm/0.2 μm, 1. K/min; Tstart: 35. C; Tend: 200. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-1 | 665. | Peng, 2000 | 15. m/0.53 mm/1. μm, He; Program: 40C(3min) => 8C/min => 200(1min) => 5C/min => 300C(25min) |
Capillary | Methyl Silicone | 648.90 | 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 | 662. | Peng, Ding, et al., 1988 | Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min) |
Packed | SE-30 | 662. | Peng, Ding, et al., 1988 | Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 732. | Malliaa, Fernandez-Garcia, et al., 2005 | 60. m/0.32 mm/1. μm, He, 45. C @ 1. min, 5. K/min, 250. C @ 12. min |
Capillary | PEG-20M | 734.0 | Wang and Sun, 1985 | 3. K/min; Column length: 62. m; Column diameter: 0.27 mm; Tstart: 70. C |
Capillary | PEG-20M | 735.5 | Wang and Sun, 1985 | 4. K/min; Column length: 62. m; Column diameter: 0.27 mm; Tstart: 70. C |
Capillary | PEG-20M | 737.0 | Wang and Sun, 1985 | 2. K/min; Column length: 62. m; Column diameter: 0.27 mm; Tstart: 80. C |
Capillary | PEG-20M | 741.7 | Wang and Sun, 1985 | 2. K/min; Column length: 62. m; Column diameter: 0.27 mm; Tstart: 90. C |
Packed | Carbowax 20M | 723. | Buchman, Cao, et al., 1984 | He, Supelcoport, 40. C @ 10. min, 10. K/min, 210. C @ 30. min; Column length: 3.05 m |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Methyl Silicone | 100. | 673. | Lebrón-Aguilar, Quintanilla-López, et al., 2007 | |
Capillary | Methyl Silicone | 120. | 680. | Lebrón-Aguilar, Quintanilla-López, et al., 2007 | |
Capillary | Methyl Silicone | 140. | 685. | Lebrón-Aguilar, Quintanilla-López, et al., 2007 | |
Capillary | Methyl Silicone | 80. | 668. | Lebrón-Aguilar, Quintanilla-López, et al., 2007 | |
Capillary | OV-101 | 40. | 660. | Li and Deng, 1998 | N2; Column length: 51. m; Column diameter: 0.25 mm |
Capillary | Methyl Silicone | 50. | 663. | N/A | N2; Column length: 74.6 m; Column diameter: 0.28 mm |
Capillary | OV-101 | 50. | 661. | Wu and Lu, 1984 | |
Capillary | OV-101 | 70. | 665. | Wu and Lu, 1984 | |
Packed | Synachrom | 150. | 619. | Dufka, Malinsky, et al., 1971 | Helium, Synachrom (60-80 mesh); Column length: 1.5 m |
Packed | Synachrom | 150. | 625. | Dufka, Malinsky, et al., 1971 | Helium, Synachrom (60-80 mesh); Column length: 1.5 m |
Capillary | Squalane | 86. | 661. | Vigdergauz and Martynov, 1971 | He; Column length: 150. m; Column diameter: 0.35 mm |
Packed | Apieson L | 120. | 688. | Kurdina, Markovich, et al., 1969 | not specified, not specified |
Packed | Squalane | 125. | 676. | Cremer and Nonn, 1964 | H2, Chromosorb W (80-100 mesh); Column length: 3. m |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polydimethyl siloxane: CP-Sil 5 CB | 658. | 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 | Petrocol DH | 651. | Supelco, 2012 | 100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min |
Capillary | OV-101 | 666. | Zenkevich, Eliseenkov, et al., 2009 | 25. m/0.20 mm/0.25 μm, Nitrogen, 6. K/min; Tstart: 60. C; Tend: 240. C |
Capillary | BP-1 | 662. | 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 | 654.9 | 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 | 648.95 | Baraldi, Rapparini, et al., 1999 | 60. m/0.25 mm/0.25 μm, 40. C @ 10. min, 5. K/min; Tend: 220. C |
Capillary | OV-101 | 658. | 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 | SE-54 | 670. | Bellesia, Pinetti, et al., 1996 | 25. m/0.2 mm/0.5 μm, He, 35. C @ 2. min, 5. K/min; Tend: 250. C |
Capillary | DB-1 | 658. | 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 | SE-30 | 651. | Heydanek and McGorrin, 1981 | He, 40. C @ 3. min, 3. K/min; Column length: 50. m; Column diameter: 0.5 mm; Tend: 170. C |
Packed | Apiezon L | 668. | Dahlmann, Köser, et al., 1979 | Chromosorb G-AW-DMCS, 10. K/min; Column length: 2. m; Tstart: 25. C |
Capillary | SF-96 | 659. | 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 | Squalane | 660. | Chen, 2008 | Program: not specified |
Capillary | Squalane | 669. | Chen, 2008 | Program: not specified |
Capillary | DB-5 MS | 669. | Cajka, Hajslova, et al., 2007 | 30. m/0.25 mm/0.25 μm, Helium; Program: 45 0C (0.75 min) 10 0C/min -> 200 0C 30 0C/min -> 245 0C (1.25 min) |
Capillary | Methyl Silicone | 663. | Feng and Mu, 2007 | Program: not specified |
Capillary | Methyl Silicone | 661. | 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 | SE-30 | 677. | Vinogradov, 2004 | Program: not specified |
Capillary | SPB-5 | 657. | Begnaud, Pérès, et al., 2003 | 60. m/0.32 mm/1. μm; Program: not specified |
Capillary | Apiezon L | 696. | Finkelstein, Kurbatova, et al., 2002 | Program: not specified |
Capillary | Methyl Silicone | 700. | N/A | Program: not specified |
Capillary | DB-1 | 664. | Zhu and Wang, 2001 | Program: not specified |
Capillary | Methyl Silicone | 666. | Zenkevich, 2000 | Program: not specified |
Capillary | Methyl Silicone | 657. | Spieksma, 1999 | Program: not specified |
Capillary | Methyl Silicone | 666. | Zenkevich, 1998 | Program: not specified |
Capillary | SPB-1 | 666. | Flanagan, Streete, et al., 1997 | 60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C |
Capillary | Methyl Silicone | 654. | Xu, Chu, et al., 1995 | Program: not specified |
Capillary | DB-1 | 649. | Ciccioli, Cecinato, et al., 1994 | 60. m/0.32 mm/0.25 μm; Program: not specified |
Capillary | DB-1 | 649. | 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 | 664. | Lou, Liu, et al., 1993 | Column diameter: 0.25 mm; Program: not specified |
Capillary | OV-101 | 650. | Skrbic and Cvejanov, 1993 | Program: not specified |
Capillary | SPB-1 | 666. | 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 | 664. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: not specified |
Capillary | OV-101 | 677. | Shibamoto, 1987 | 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, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 645. | 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. | 661. | 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. | 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. | 675. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1 | 664. | Ramsey and Flanagan, 1982 | Program: not specified |
Packed | SE-30 | 675. | Robinson and Odell, 1971 | N2, Chromosorb W; Column length: 6.1 m; Program: 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold) |
Packed | Squalane | 669. | Robinson and Odell, 1971 | N2, Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min => 35 => 4C/min => 95C(hold) |
Packed | SE-30 | 675. | 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 | 669. | 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, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 729. | Shimadzu, 2012 | 30. m/0.32 mm/0.50 μm, Helium, 4. K/min; Tstart: 40. C; Tend: 260. C |
Capillary | DB-Wax | 729. | Shimadzu Corporation, 2003 | 30. m/0.32 mm/0.5 μm, He, 4. K/min; Tstart: 40. C; Tend: 260. C |
Capillary | Supelcowax-10 | 717. | Girard and Durance, 2000 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 10. min, 4. K/min; Tend: 200. C |
Capillary | DB-Wax | 712. | Chung, Eiserich, et al., 1993 | 60. C @ 4. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 220. C |
Capillary | BP-20 | 765. | MacLeod and Snyder, 1985 | 70. C @ 5. min, 3. K/min; Column length: 25. m; Column diameter: 0.2 mm; Tend: 180. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SOLGel-Wax | 742. | 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 | 737. | Johanningsmeier and McFeeters, 2011 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | Carbowax 20M | 765. | Vinogradov, 2004 | Program: not specified |
Capillary | DB-Wax | 723. | Peng, Yang, et al., 1991 | Program: not specified |
Capillary | Carbowax 20M | 756. | Shibamoto, 1987 | Program: not specified |
Capillary | Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc. | 723. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | Carbowax 20M | 726. | 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, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Spitzer and Huffman, 1947
Spitzer, R.; Huffman, H.M.,
The heats of combustion of cyclopentane, cyclohexane, cycloheptane and cyclooctane,
J. Am. Chem. Soc., 1947, 69, 211-213. [all data]
Prosen, Johnson, et al., 1946
Prosen, E.J.; Johnson, W.H.; Rossini, F.D.,
Heats of formation and combustion of the normal alkylcyclopentanes and cyclohexanes and the increment per CH2 group for several homologous series of hydrocarbons,
J. Res. NBS, 1946, 37, 51-56. [all data]
Moore, Renquist, et al., 1940
Moore, G.E.; Renquist, M.L.; Parks, G.S.,
Thermal data on organic compounds. XX. Modern combustion data for two methylnonanes, methyl ethyl ketone, thiophene and six cycloparaffins,
J. Am. Chem. Soc., 1940, 62, 1505-1507. [all data]
Beckett C.W., 1947
Beckett C.W.,
The thermodynamic properties and molecular structure of cyclohexane, methylcyclohexane, ethylcyclohexane, and seven dimethylcyclohexanes,
J. Am. Chem. Soc., 1947, 69, 2488-2495. [all data]
Dorofeeva O.V., 1986
Dorofeeva O.V.,
Thermodynamic properties of twenty-one monocyclic hydrocarbons,
J. Phys. Chem. Ref. Data, 1986, 15, 437-464. [all data]
Brickwedde F.G., 1946
Brickwedde F.G.,
Equilibrium constants of some reactions involved in the production of 1,3-butadiene,
J. Res. Nat. Bur. Stand., 1946, 37, 263-279. [all data]
Kilpatrick J.E., 1947
Kilpatrick J.E.,
Heats, equilibrium constants, and free energies of formation of the alkylcyclopentanes and alkylcyclohexanes,
J. Res. Nat. Bur. Stand., 1947, 39, 523-543. [all data]
Lippincott E.R., 1966
Lippincott E.R.,
Enthalpy, free energy, entropy, and heat capacity of cyclohexane and acetaldehyde,
Bull. Soc. Chim. Belges., 1966, 75, 655-667. [all data]
Spitzer R., 1946
Spitzer R.,
The heat capacity of gaseous cyclopentane, cyclohexane and methylcyclohexane,
J. Am. Chem. Soc., 1946, 68, 2537-2538. [all data]
Montgomery J.B., 1942
Montgomery J.B.,
The heat capacity of organic vapors. IV. Benzene, fluorobenzene, toluene, cyclohexane, methylcyclohexane and cyclohexene,
J. Am. Chem. Soc., 1942, 64, 2375-2377. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
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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 IE (evaluated) Recommended ionization energy Pc Critical pressure S°gas Entropy of gas at standard conditions S°liquid Entropy of liquid at standard conditions T Temperature Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature Vc Critical volume ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition 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 ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ΔvapS Entropy of vaporization ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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