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:
- Other data available:
- Data at other public NIST sites:
- Options:
Data at NIST subscription sites:
- NIST / TRC Web Thermo Tables, "lite" edition (thermophysical and thermochemical data)
- NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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, IR Spectrum, 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, IR Spectrum, 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)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
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)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
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, IR Spectrum, 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 |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, 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
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Roux, Temprado, et al., 2008
Roux, M.V.; Temprado, M.; Chickos, J.S.; Nagano, Y.,
Critically Evaluated Thermochemical Properties of Polycyclic Aromatic Hydrocarbons,
J. Phys. Chem. Ref. Data, 2008, 37, 4, 1855-1996. [all data]
Good and Smith, 1969
Good, W.D.; Smith, N.K.,
Enthalpies of combustion of toluene, benzene, cyclohexane, cyclohexene, methylcyclopentane, 1-methylcyclopentene, and n-hexane,
J. Chem. Eng. Data, 1969, 14, 102-106. [all data]
Prosen, Gilmont, et al., 1945
Prosen, E.J.; Gilmont, R.; Rossini, F.D.,
Heats of combustion of benzene, toluene, ethyl-benzene, o-xylene, m-xylene, p-xylene, n-propylbenzene, and styrene,
J. Res. NBS, 1945, 34, 65-70. [all data]
Prosen, Johnson, et al., 1946
Prosen, E.J.; Johnson, W.H.; Rossini, F.D.,
Heats of combustion and formation at 25°C of the alkylbenzenes through C10H14, and of the higher normal monoalkylbenzenes,
J. Res. NBS, 1946, 36, 455-461. [all data]
Landrieu, Baylocq, et al., 1929
Landrieu, P.; Baylocq, F.; Johnson, J.R.,
Etude thermochimique dans la serie furanique,
Bull. Soc. Chim. France, 1929, 45, 36-49. [all data]
Thermodynamics Research Center, 1997
Thermodynamics Research Center,
Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]
Todd S.S., 1978
Todd S.S.,
Vapor-flow calorimetry of benzene,
J. Chem. Thermodyn., 1978, 10, 641-648. [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]
Pitzer K.S., 1943
Pitzer K.S.,
The thermodynamics and molecular structure of benzene and its methyl derivatives,
J. Am. Chem. Soc., 1943, 65, 803-829. [all data]
Scott D.W., 1947
Scott D.W.,
The heat capacity of benzene vapor. The contribution of anharmonicity,
J. Chem. Phys., 1947, 15, 565-568. [all data]
Oliver, Eaton, et al., 1948
Oliver, G.D.; Eaton, M.; Huffman, H.M.,
The heat capacity, heat of fusion and entropy of benzene,
J. Am. Chem. Soc., 1948, 70, 1502-1505. [all data]
Huffman, Parks, et al., 1930
Huffman, H.M.; Parks, G.S.; Daniels, A.C.,
Thermal data on organic compounds. VII. The heat capacities, entropies and free energies of twelve aromatic hydrocarbons,
J. Am. Chem. Soc., 1930, 52, 1547-1558. [all data]
Ahlberg, Blanchard, et al., 1937
Ahlberg, J.E.; Blanchard, E.R.; Lundberg, W.O.,
The heat capacities of benzene, methyl alcohol and glycerol at very low temperatures,
J. Chem. Phys., 1937, 5, 537-551. [all data]
Grolier, Roux-Desgranges, et al., 1993
Grolier, J.-P.E.; Roux-Desgranges, G.; Berkane, M.; Jimenez, E.; Wilhelm, E.,
Heat capacities and densities of mixtures of very polar substances 2. Mixtures containing N,N-dimethylformamide,
J. Chem. Thermodynam., 1993, 25(1), 41-50. [all data]
Czarnota, 1991
Czarnota, I.,
Heat capacity of benzene at high pressures,
J. Chem. Thermodynam., 1991, 23, 25-30. [all data]
Lainez, Rodrigo, et al., 1989
Lainez, A.; Rodrigo, M.M.; Wilhelm, E.; Grolier, J.-P.E.,
Excess volumes and excess heaat capacitiies of some mixtures with trans,trans,cis-1,5,9-cyclododecatriene at 298.15K,
J. Chem. Eng. Data, 1989, 34, 332-335. [all data]
Shiohama, Ogawa, et al., 1988
Shiohama, Y.; Ogawa, H.; Murakami, S.; Fujihara, I.,
Excess molar isobaric heat capacities and isentropic compressibilities of (cis- or trans-decalin + benzene or toluene or iso-octane or n-heptane) at 298.15 K,
J. Chem. Thermodynam., 1988, 20, 1183-1189. [all data]
Grolier, Roux-Desgranges, et al., 1987
Grolier, J.-P.E.; Roux-Desgranges, G.; Kooner, Z.S.; Smith, J.F.; Hepler, L.G.,
Thermal and volumetric properties of chloroform + benzene mixtures and the ideal associated solution model of complex formation,
J. Solution Chem., 1987, 16, 745-752. [all data]
Kalali, Kohler, et al., 1987
Kalali, H.; Kohler, F.; Svejda, P.,
Excess properties of the mixture bis(2-dichlorethyl)ether (chlorex) + 2,2,4-trimethylpentane (isooctane),
Monatsh. Chem., 1987, 118, 1-18. [all data]
Tanaka, 1987
Tanaka, R.,
Excess heat capacities for mixture of benzene with n-heptane at 293.15, 298.15 and 303.15 K,
J. Chem. Eng. Data, 1987, 32, 176-177. [all data]
Naziev, Bashirov, et al., 1986
Naziev, Ya.M.; Bashirov, M.M.; Badalov, Yu.A.,
Experimental device for measurement of isobaric specific heat of electrolytes at elevated pressures,
Inzh-Fiz. Zhur., 1986, 51(5), 789-795. [all data]
Reddy, 1986
Reddy, K.S.,
Isentropic compressibilities of binary liquid mixtures at 303.15 and 313.15 K,
J. Chem. Eng. Data, 1986, 31, 238-240. [all data]
Ogawa and Murakami, 1985
Ogawa, H.; Murakami, S.,
Flow microcalorimeter for heat capacities of solutions,
Thermochim. Acta, 1985, 88, 255-260. [all data]
Tanaka, 1985
Tanaka, R.,
Excess heat capacities for mixtures of benzene with cyclopentane, methylcyclohexane, and cyclooctane at 298.15 K,
J. Chem. Eng. Data, 1985, 30, 267-269. [all data]
Gorbunova, Simonov, et al., 1983
Gorbunova, N.I.; Simonov, V.M.; Shipova, V.A.,
Thermodynamic properties of benzene,
Teplofiz. Vys. Temp., 1983, 21(2), 270-275. [all data]
Gorbunova, Grigoriev, et al., 1982
Gorbunova, N.I.; Grigoriev, V.A.; Simonov, V.M.; Shipova, V.A.,
Heat capacity of liquid benzene and hexafluorobenzene at atmospheric pressure,
Int. J. Thermophysics, 1982, 3, 1-15. [all data]
Grolier, Inglese, et al., 1982
Grolier, J.-P.E.; Inglese, A.; Wilhelm, E.,
Excess volumes and excess heat capacities of tetrachloroethene + cyclohexane, + methylcyclohexane, + benzene, and + toluene at 298.15 K,
J. Chem. Thermodynam., 1982, 14, 523-529. [all data]
Tanaka, 1982
Tanaka, R.,
Determination of excess heat capacities of (benzene + tetrachloromethane and + cyclohexane) between 293.15 and 303.15 K by use of a Picker flow calorimeter,
J. Chem. Thermodynam., 1982, 14, 259-268. [all data]
Wilhelm, Faradjzadeh, et al., 1982
Wilhelm, E.; Faradjzadeh, A.; Grolier, J.-P.E.,
Excess volumes and excess heat capacities of 2,3-dimethylbutane + butane and + toluene,
J. Chem. Thermodynam., 1982, 14, 1199-1200. [all data]
Atalla, El-Sharkawy, et al., 1981
Atalla, S.R.; El-Sharkawy, A.A.; Gasser, F.A.,
Measurement of thermal properties of liquids with an AC heated-wire technique,
Inter. J. Thermophys., 1981, 2(2), 155-162. [all data]
Vesely, Zabransky, et al., 1979
Vesely, F.; Zabransky, M.; Svoboda, V.; Pick, J.,
The use of mixing calorimeter for measuring heat capacities of liquids,
Coll. Czech. Chem. Commun., 1979, 44, 3529-3532. [all data]
Grolier, Wilhelm, et al., 1978
Grolier, J.-P.E.; Wilhelm, E.; Hamedi, M.H.,
Molar heat capacities and isothermal compressibility of binary liquid mixtures: carbon tetrachloride + benzene, carbon tetrachloride + cyclohexane and benzene + cyclohexane,
Ber. Bunsenges. Phys. Chem., 1978, 82, 1282-1290. [all data]
Vesely, Svoboda, et al., 1977
Vesely, F.; Svoboda, V.; Pick, J.,
Heat capacities of some organic liquids determined with the mixing calorimeter,
1st Czech. Conf. Calorimetry (Lect. Short Commun.), 1977, C9-1-C9-4. [all data]
Wilhelm, Grolier, et al., 1977
Wilhelm, E.; Grolier, J.-P.E.; Karbalai Ghassemi, M.H.,
Molar heat capacities of binary liquid mixtures: 1,2-dichloroethane + benzene, + toluene, and + p-xylene,
Ber. Bunsenges. Phys. Chem., 1977, 81, 925-930. [all data]
Fortier, Benson, et al., 1976
Fortier, J.-L.; Benson, G.C.; Picker, P.,
Heat capacities of some organic liquids determined with the Picker flow calorimeter,
J. Chem. Thermodynam., 1976, 8, 289-299. [all data]
Fortier and Benson, 1976
Fortier, J.-L.; Benson, G.C.,
Excess heat capacities of binary liquid mixtures determined with a Picker flow calorimeter,
J. Chem. Thermodynam., 1976, 8, 411-423. [all data]
Rajagopal and Subrahmanyam, 1974
Rajagopal, E.; Subrahmanyam, S.V.,
Excess function of VE,(dVE/dp)T, and CpE of isooctane + benzene and + toluene,
J. Chem. Thermodynam., 1974, 6, 873-876. [all data]
Deshpande and Bhatagadde, 1971
Deshpande, D.D.; Bhatagadde, L.G.,
Heat capacities at constant volume, free volumes, and rotational freedom in some liquids,
Aust. J. Chem., 1971, 24, 1817-1822. [all data]
Hyder Khan and Subrahmanyam, 1971
Hyder Khan, V.; Subrahmanyam, S.V.,
Excess thermodynamic functions of the systems: benzene + p-xylene and benzene + p-dioxan,
Trans. Faraday Soc., 1971, 67, 2282-2291. [all data]
Subrahmanyam and Khan, 1969
Subrahmanyam, S.V.; Khan, V.H.,
Thermodynamics of the system benzene - p-dioxane,
Curr. Sci., 1969, 38, 510-511. [all data]
Recko, 1968
Recko, W.M.,
Excess heat capacity of the binary systems formed by n-propyl alcohol with benzene, mesitylene and cyclohexane,
Bull. Acad. Pol. Sci. Ser. Sci. Chim., 1968, 16, 549-552. [all data]
Pacor, 1967
Pacor, P.,
Applicability of the DuPont 900 DTA apparatus in quantitative differential thermal analysis,
Anal. Chim. Acta, 1967, 37, 200-208. [all data]
Rastorguev and Ganiev, 1967
Rastorguev, Yu.L.; Ganiev, Yu.A.,
Study of the heat capacity of selected solvents,
Izv. Vyssh. Uchebn. Zaved. Neft Gaz. 10, 1967, No.1, 79-82. [all data]
Findenegg, Gruber, et al., 1965
Findenegg, G.H.; Gruber, K.; Pereira, J.F.; Kohler, F.,
Kalorimetrische Messungen an Mischungen von Nichtelektrolyten, 1. Mitt.: Molwarme des Systems 1,2-Dibromathan-Benzol,
Monatsh. Chem., 1965, 96, 669-678. [all data]
Rabinovich and Nikolaev, 1962
Rabinovich, I.B.; Nikolaev, P.N.,
Isotopic effect in the specific heat of some deutero compounds,
Dokl. Akad. Nauk, 1962, SSSR 142, 1335-1338. [all data]
Swietoslawski and Zielenkiewicz, 1960
Swietoslawski, W.; Zielenkiewicz, A.,
Mean specific heat in homologous series of binary and ternary positive azeotropes,
Bull. Acad. Pol. Sci. Ser. Sci. Chim., 1960, 8, 651-653. [all data]
Duff and Everett, 1956
Duff, G.M.; Everett, D.H.,
The heat capacity of the system benzene + diphenylmethane,
Trans. Faraday Soc., 1956, 52, 753-763. [all data]
Staveley, Tupman, et al., 1955
Staveley, L.A.K.; Tupman, W.I.; Hart, K.R.,
Some thermodynamice properties of the systems benzene + ethylene dichloride, benzene + carbon tetrachloride, acetone + chloroform, and acetone + carbon disulphide,
Trans. Faraday Soc., 1955, 51, 323-342. [all data]
Sieg, Crtzen, et al., 1951
Sieg, L.; Crtzen, J.L.; Jost, W.,
Zur Thermodynamik von Mischphasen IX. Über das Verdampfungsgleichgewicht Benzol-1-2-Dichloraethan,
Z. Phys. Chem., 1951, 198, 263-269. [all data]
Tschamler, 1948
Tschamler, H.,
Uber binare flussige Mischungen I. Mischungswarment, Volumseffekte und Zustandsdiagramme von chlorex mit benzol und n-alkylbenzolen,
Monatsh. Chem., 1948, 79, 162-177. [all data]
Kurbatov, 1947
Kurbatov, V.Ya.,
Specific heat of liquids. I. Specific heat of benzenoid hydrocarbons,
Zhur. Obshch. Khim., 1947, 17, 1999-2003. [all data]
Zhdanov, 1941
Zhdanov, A.K.,
Specific heats of some liquids and azeotropic mixtures,
Zhur. Obshch. Khim., 1941, 11, 471-482. [all data]
Burlew, 1940
Burlew, J.S.,
Measurement of the heat capacity of a small volume of liquid by the piezo-thermometric method. III. Heat capacity of benzene and of toluene from 8°C. to the boiling point,
J. Am. Chem. Soc., 1940, 62, 696-700. [all data]
Kolosovskii and Udovenko, 1934
Kolosovskii, N.A.; Udovenko, W.W.,
Specific heat of liquids. II.,
Zhur. Obshchei Khim., 1934, 4, 1027-1033. [all data]
de Kolossowsky and Udowenko, 1933
de Kolossowsky, N.A.; Udowenko, W.W.,
Mesure des chaleurs specifique moleculaires de quelques liquides,
Compt. rend., 1933, 197, 519-520. [all data]
Ferguson and Miller, 1933
Ferguson, A.; Miller, J.T.,
A method for the determination of the specific heats of liquids, and a determination of the specific heats of aniline and benzene over the approximate range 20°C to 50°C,
Proc. Phys. Soc. London, 1933, 45, 194-207. [all data]
Richards and Wallace, 1932
Richards, W.T.; Wallace, J.H., Jr.,
The specific heats of five organic liquids from their adiabatic temperature-pressure coefficients,
J. Am. Chem. Soc., 1932, 54, 2705-2713. [all data]
Fiock, Ginnings, et al., 1931
Fiock, E.F.; Ginnings, D.C.; Holton, W.B.,
Calorimetric determinations of thermal properties of methyl alcohol, ethyl alcohol, and benzene,
J. Res., 1931, NBS 6, 881-900. [all data]
Andrews, Lynn, et al., 1926
Andrews, D.H.; Lynn, G.; Johnston, J.,
The heat capacities and heat of crystallization of some isomeric aromatic compounds,
J. Am. Chem. Soc., 1926, 48, 1274-1287. [all data]
Williams and Daniels, 1925
Williams, J.W.; Daniels, F.,
The specific heats of binary mixtures,
J. Am. Chem. Soc., 1925, 47, 1490-1503. [all data]
Willams and Daniels, 1924
Willams, J.W.; Daniels, F.,
The specific heats of certain organic liquids at elevated temperatures,
J. Am. Chem. Soc., 1924, 46, 903-917. [all data]
Dejardin, 1919
Dejardin, G.,
Pressions maxima des vapeurs du benzene et du cyclohexane aux temperatures moyennes et calcul de leurs chaleurs specifiques principales,
Ann. phys. [9], 1919, 11, 253-291. [all data]
von Reis, 1881
von Reis, M.A.,
Die specifische Wärme flüssiger organischer Verbindungen und ihre Beziehung zu deren Moleculargewicht,
Ann. Physik [3], 1881, 13, 447-464. [all data]
Aoyama and Kanda, 1935
Aoyama, S.; Kanda, E.,
Studies on the heat capacities at low temperature. Report I. Heat capacities of some organic substances at low temperature,
Sci. Rept. Tohoku Imp. Univ. [1]24, 1935, 107-115. [all data]
Maass and Walbauer, 1925
Maass, O.; Walbauer, L.J.,
The specific heats and latent heats of fusion of ice and of several organic compounds,
J. Am. Chem. Soc., 1925, 47, 1-9. [all data]
Kruif, 1980
Kruif, C.G.,
Enthalpies of sublimation and vapour pressures of 11 polycyclic hydrocarbons,
J. Chem. Thermodyn., 1980, 12, 243-248. [all data]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]
Lubomska, Banas, et al., 2002
Lubomska, Monika; Banas, Agnieszka; Malanowski, Stanislaw K.,
Vapor-Liquid Equilibrium in Binary Systems Formed by Allyl Alcohol with Benzene and with Cyclohexane,
J. Chem. Eng. Data, 2002, 47, 6, 1466-1471, https://doi.org/10.1021/je025540l
. [all data]
Liu and Dickhut, 1994
Liu, Kewen; Dickhut, Rebecca M.,
Saturation vapor pressures and thermodynamic properties of benzene and selected chlorinated benzenes at environmental temperatures,
Chemosphere, 1994, 29, 3, 581-589, https://doi.org/10.1016/0045-6535(94)90445-6
. [all data]
Ambrose, Ewing, et al., 1990
Ambrose, D.; Ewing, M.B.; Ghiassee, N.B.; Sanchez Ochoa, J.C.,
The ebulliometric method of vapour-pressure measurement: vapour pressures of benzene, hexafluorobenzene, and naphthalene,
The Journal of Chemical Thermodynamics, 1990, 22, 6, 589-605, https://doi.org/10.1016/0021-9614(90)90151-F
. [all data]
Dong, Lin, et al., 1988
Dong, Jin-Quan; Lin, Rui-Sen; Yen, Wen-Hsing,
Heats of vaporization and gaseous molar heat capacities of ethanol and the binary mixture of ethanol and benzene,
Can. J. Chem., 1988, 66, 4, 783-790, https://doi.org/10.1139/v88-136
. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Natarajan, 1983
Natarajan, G.,
High-temperature calorimeter for the measurement of vapor pressure and enthalpy of vaporization,
Rev. Sci. Instrum., 1983, 54, 9, 1175, https://doi.org/10.1063/1.1137545
. [all data]
Tsonopoulos and Wilson, 1983
Tsonopoulos, Constantine; Wilson, G.M.,
High-temperature mutual solubilities of hydrocarbons and water. Part I: Benzene, cyclohexane andn-hexane,
AIChE J., 1983, 29, 6, 990-999, https://doi.org/10.1002/aic.690290618
. [all data]
Rao and Viswanath, 1977
Rao, Yaddanapudi J.; Viswanath, Dabir S.,
Integral isobaric heats of vaporization of benzene-chloroethane systems,
J. Chem. Eng. Data, 1977, 22, 1, 36-38, https://doi.org/10.1021/je60072a011
. [all data]
Svoboda, Veselý, et al., 1973
Svoboda, V.; Veselý, F.; Holub, R.; Pick, J.,
Enthalpy data of liquids. II. The dependence of heats of vaporization of methanol, propanol, butanol, cyclohexane, cyclohexene, and benzene on temperature,
Collect. Czech. Chem. Commun., 1973, 38, 12, 3539-3543, https://doi.org/10.1135/cccc19733539
. [all data]
Mita, Imai, et al., 1971
Mita, Itaru; Imai, Isao; Kambe, Hirotaro,
Determination of heat of mixing and heat of vaporization with a differential scanning calorimeter,
Thermochimica Acta, 1971, 2, 4, 337-344, https://doi.org/10.1016/0040-6031(71)85035-9
. [all data]
Forziati, Norris, et al., 1949
Forziati, Alphonse F.; Norris, William R.; Rossini, Frederick D.,
Vapor pressures and boiling points of sixty API-NBS hydrocarbons,
J. RES. NATL. BUR. STAN., 1949, 43, 6, 555-17, https://doi.org/10.6028/jres.043.050
. [all data]
Yarym-Agaev, Fedos'ev, et al., 1949
Yarym-Agaev, N.L.; Fedos'ev, N.N.; Skorikov, K.G.,
Zh. Fiz. Khim., 1949, 11, 1257. [all data]
Thomson, 1946
Thomson, George Wm.,
The Antoine Equation for Vapor-pressure Data.,
Chem. Rev., 1946, 38, 1, 1-39, https://doi.org/10.1021/cr60119a001
. [all data]
Scott and Brickwedde, 1945
Scott, R.B.; Brickwedde, F.G.,
Thermodynamic properties of solid and liquid ethylbenzene from 0 to 300 degrees K,
J. RES. NATL. BUR. STAN., 1945, 35, 6, 501-17, https://doi.org/10.6028/jres.035.024
. [all data]
Willingham, Taylor, et al., 1945
Willingham, C.B.; Taylor, W.J.; Pignocco, J.M.; Rossini, F.D.,
Vapor pressures and boiling points of some paraffin, alkylcyclopentane, alkylcyclohexane, and alkylbenzene hydrocarbons,
J. RES. NATL. BUR. STAN., 1945, 35, 3, 219-17, https://doi.org/10.6028/jres.035.009
. [all data]
Smith, 1941
Smith, E.R.,
Boiling points of benzene, 2,2,3-trimethylbutane, 3-ethylpentane, and 2,2,4,4-tetramethylpentane within the range 100 to 1,500 millimeters of mercury,
J. RES. NATL. BUR. STAN., 1941, 26, 2, 129-17, https://doi.org/10.6028/jres.026.004
. [all data]
Stuckey and Saylor, 1940
Stuckey, James M.; Saylor, John H.,
The Vapor Pressures of Some Organic Compounds. I. 1,
J. Am. Chem. Soc., 1940, 62, 11, 2922-2925, https://doi.org/10.1021/ja01868a011
. [all data]
Eon, Pommier, et al., 1971
Eon, C.; Pommier, C.; Guiochon, G.,
Vapor pressures and second virial coefficients of some five-membered heterocyclic derivatives,
J. Chem. Eng. Data, 1971, 16, 4, 408-410, https://doi.org/10.1021/je60051a008
. [all data]
Deshpande and Pandya, 1967
Deshpande, D.D.; Pandya, M.V.,
Thermodynamics of Binary Solutions. Part 2. Vapour Pressures and Excess Free Energies of Aniline Solutions,
Trans. Faraday Soc., 1967, 63, 2149-2157, https://doi.org/10.1039/tf9676302149
. [all data]
Kalafati, Rasskazov, et al., 1967
Kalafati, D.D.; Rasskazov, D.S.; Petrov, E.K.,
Experimental Determination of a Dependence of a Saturated Vapor Pressure of Benzene on Temperature,
Zh. Fiz. Khim., 1967, 41, 1357-1359. [all data]
Williamham, Taylor, et al., 1945
Williamham, C.B.; Taylor, W.J.; Pignocco, J.M.; Rossini, F.D.,
Vapor Pressures and Boiling Points of Some Paraffin, Alkylcyclopentane, Alkylcyclohexane, and Alkylbenzene Hydrocarbons,
J. Res. Natl. Bur. Stand. (U.S.), 1945, 35, 3, 219-244, https://doi.org/10.6028/jres.035.009
. [all data]
Ha, Morrison, et al., 1976
Ha, H.; Morrison, J.A.; Richards, E.L.,
Vapour pressures of solid benzene, cyclohexane and their mixtures,
J. Chem. Soc., Faraday Trans. 1, 1976, 72, 0, 1051, https://doi.org/10.1039/f19767201051
. [all data]
Hessler, 1984
Hessler, W.,
Wiss. Zeitschr. Wilhelm-Pieck-Univ. Rostock, Naturwiss. Reihe, 1984, 33, 9. [all data]
De Kruif and Van Ginkel, 1977
De Kruif, C.G.; Van Ginkel, C.H.D.,
Torsion-weighing effusion vapour-pressure measurements on organic compounds,
The Journal of Chemical Thermodynamics, 1977, 9, 8, 725-730, https://doi.org/10.1016/0021-9614(77)90015-5
. [all data]
Jackowski, 1974
Jackowski, A.W.,
Vapour pressures of solid benzene and of solid cyclohexane,
The Journal of Chemical Thermodynamics, 1974, 6, 1, 49-52, https://doi.org/10.1016/0021-9614(74)90205-5
. [all data]
Jones, 1960
Jones, A.H.,
Sublimation Pressure Data for Organic Compounds.,
J. Chem. Eng. Data, 1960, 5, 2, 196-200, https://doi.org/10.1021/je60006a019
. [all data]
Milazzo, 1956
Milazzo, G.,
Ann. Chim. (Rome), 1956, 46, 1105. [all data]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [all data]
Wolf and Weghofer, 1938
Wolf, K.L.; Weghofer, H.,
Uber sublimationswarmen,
Z. Phys. Chem., 1938, 39, 194-208. [all data]
de Boer, 1936
de Boer, J.H.,
The influence of van der Waals' forces and primary bonds on binding energy, strength and orientation, with special reference to some artificial resins,
Trans. Faraday Soc., 1936, 32, 10, https://doi.org/10.1039/tf9363200010
. [all data]
Mündel, 1913
Mündel, C.F.,
Z. Phys. Chem., Stoechiom. Verwandtschaftsl., 1913, 85, 435. [all data]
Ziegler and Andrews, 1942
Ziegler, W.T.; Andrews, D.H.,
The heat capacity of benzene-d6,
J. Am. Chem. Soc., 1942, 64, 2482-2485. [all data]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [all data]
Smith, 1979
Smith, G.W.,
Phase behavior of some linear polyphenyls,
Mol. Cryst. Liq. Cryst., 1979, 49, 207-209. [all data]
Tschurl, Ueberfluss, et al., 2007
Tschurl, M.; Ueberfluss, C.; Boesl, U.,
Anion photoelectron, photodetachment, and infrared dissociation spectra of Cl-center dot C6H6,
Chem. Phys. Lett., 2007, 439, 1-3, 23-28, https://doi.org/10.1016/j.cplett.2007.03.059
. [all data]
Hiraoka, Mizuse, et al., 1988
Hiraoka, K.; Mizuse, S.; Yamabe, S.,
Determination of the Stabilities and Structures of X-(C6H6) Clusters (X = Cl, Br, and I),
Chem. Phys. Lett., 1988, 147, 2-3, 174, https://doi.org/10.1016/0009-2614(88)85078-4
. [all data]
Larson and McMahon, 1984
Larson, J.W.; McMahon, T.B.,
Hydrogen bonding in gas phase anions. An experimental investigation of the interaction between chloride ion and bronsted acids from ICR chloride exchange equilibria,
J. Am. Chem. Soc., 1984, 106, 517. [all data]
Paul and Kebarle, 1991
Paul, G.J.C.; Kebarle, P.,
Stabilities of Complexes of Br- with Substituted Benzenes (SB) Based on Determinations of the Gas-Phase Equilibria Br- + SB = (BrSB)-,
J. Am. Chem. Soc., 1991, 113, 4, 1148, https://doi.org/10.1021/ja00004a014
. [all data]
Sunner, Nishizawa, et al., 1981
Sunner, J.; Nishizawa, K.; Kebarle, P.,
Ion - Solvent Molecule Interactions in the Gas Phase. Potassium Ion and Benzene,
J. Phys. Chem., 1981, 85, 13, 1814, https://doi.org/10.1021/j150613a011
. [all data]
Larson and McMahon, 1984, 2
Larson, J.W.; McMahon, T.B.,
Gas phase negative ion chemistry of alkylchloroformates,
Can. J. Chem., 1984, 62, 675. [all data]
French, Ikuta, et al., 1982
French, M.A.; Ikuta, S.; Kebarle, P.,
Hydrogen bonding of O-H and C-H hydrogen donors to Cl-. Results from mass spectrometric measurement of the ion-molecule equilibria RH + Cl- = RHCl-,
Can. J. Chem., 1982, 60, 1907. [all data]
Chowdhury and Kebarle, 1986
Chowdhury, S.; Kebarle, P.,
Role of Binding Energies in A-.B and A.B- Complexes in the Kinetics of Gas Phase Electron Transfer Reactions:A- + B = A + B- Involving Perfluoro Compounds: SF6, C6F11CF3,
J. Chem. Phys., 1986, 85, 9, 4989, https://doi.org/10.1063/1.451687
. [all data]
Davico, Bierbaum, et al., 1995
Davico, G.E.; Bierbaum, V.M.; Depuy, C.H.; Ellison, G.B.; Squires, R.R.,
The C-H bond energy of benzene,
J. Am. Chem. Soc., 1995, 117, 9, 2590, https://doi.org/10.1021/ja00114a023
. [all data]
Ervin and DeTuro, 2002
Ervin, K.M.; DeTuro, V.F.,
Anchoring the gas-phase acidity scale,
J. Phys. Chem. A, 2002, 106, 42, 9947-9956, https://doi.org/10.1021/jp020594n
. [all data]
Alecu, Gao, et al., 2007
Alecu, I.M.; Gao, Y.D.; Hsieh, P.C.; Sand, J.P.; Ors, A.; McLeod, A.; Marshall, P.,
Studies of the kinetics and thermochemistry of the forward and reverse reaction Cl+C6H6=HCl+C6H5,
J. Phys. Chem. A, 2007, 111, 19, 3970-3976, https://doi.org/10.1021/jp067212o
. [all data]
Gunion, Gilles, et al., 1992
Gunion, R.F.; Gilles, M.K.; Polak, M.L.; Lineberger, W.C.,
Ultraviolet Photoelectron Spectroscopy of the Phenide, Benzyl, and Phenoxide Anions.,
Int. J. Mass Spectrom. Ion Proc., 1992, 117, 601, https://doi.org/10.1016/0168-1176(92)80115-H
. [all data]
Meot-ner and Sieck, 1986
Meot-ner, M.; Sieck, L.W.,
Relative acidities of water and methanol, and the stabilities of the dimer adducts,
J. Phys. Chem., 1986, 90, 6687. [all data]
Graul and Squires, 1990
Graul, S.T.; Squires, R.R.,
Gas-Phase Acidities Derived from Threshold Energies for Activated Reactions,
J. Am. Chem. Soc., 1990, 112, 7, 2517, https://doi.org/10.1021/ja00163a007
. [all data]
Bohme and Young, 1971
Bohme, D.K.; Young, L.B.,
Electron affinities from thermal proton transfer reactions: C6H5 and C6H5CH2,
Can. J. Chem., 1971, 49, 2918. [all data]
Bartmess and McIver Jr., 1979
Bartmess, J.E.; McIver Jr.,
The Gas Phase Acidity Scale
in Gas Phase Ion Chemistry, Gas Phase Ion Chemistry, V. 2, M.T. Bowers, Ed., Academic Press, NY, 1979, Ch. 11, Elsevier, 1979. [all data]
Hiraoka, Fujimaki, et al., 1991
Hiraoka, K.; Fujimaki, S.; Aruga, K.; Yamabe, S.,
Stability and Structure of Benzene Dimer Cation (C6H6)2+,
J. Chem. Phys., 1991, 95, 11, 8413, https://doi.org/10.1063/1.461270
. [all data]
Meot-Ner (Mautner), Hamlet, et al., 1978
Meot-Ner (Mautner), M.; Hamlet, P.; Hunter, E.P.; Field, F.H.,
Bonding Energies in Association Ions of Aromatic Molecules. Correlations with Ionization Energies,
J. Am. Chem. Soc., 1978, 100, 17, 5466, https://doi.org/10.1021/ja00485a034
. [all data]
Field, Hamlet, et al., 1969
Field, F.H.; Hamlet, P.; Libby, W.F.,
Effect of Temperature on the Mass Spectrum of Benzene at High Pressures,
J. Am. Chem. Soc., 1969, 91, 11, 2839, https://doi.org/10.1021/ja01039a003
. [all data]
Amicangelo and Armentrout, 2000
Amicangelo, J.C.; Armentrout, P.B.,
Absolute Binding Energies of Alkali-Metal Cation Complexes with Benzene Determined by Threshold Collision-Induced Dissociation Experiments and Ab Initio Theory,
J. Phys. Chem. A, 2000, 104, 48, 11420, https://doi.org/10.1021/jp002652f
. [all data]
Woodin and Beauchamp, 1978
Woodin, R.L.; Beauchamp, J.L.,
Bonding of Li+ to Lewis Bases in the Gas Phase. Reversals in Methyl Substituent Effects for Different Reference Acids,
J. Am. Chem. Soc., 1978, 100, 2, 501, https://doi.org/10.1021/ja00470a024
. [all data]
Dzidic and Kebarle, 1970
Dzidic, I.; Kebarle, P.,
Hydration of the Alkali Ions in the Gas Phase. Enthalpies and Entropies of Reactions M+(H2O)n-1 + H2O = M+(H2O)n,
J. Phys. Chem., 1970, 74, 7, 1466, https://doi.org/10.1021/j100702a013
. [all data]
Staley and Beauchamp, 1975
Staley, R.H.; Beauchamp, J.L.,
Intrinsic Acid - Base Properties of Molecules. Binding Energies of Li+ to pi - and n - Donor Bases,
J. Am. Chem. Soc., 1975, 97, 20, 5920, https://doi.org/10.1021/ja00853a050
. [all data]
Amicangelo and Armentrout, 2001
Amicangelo, J.C.; Armentrout, P.B.,
Relative and Absolute Bond Dissociation Energies of Sodium Cation Complexes Determined Using Competitive Collision-Induced Dissociation Experiments,
Int. J. Mass Spectrom., 2001, 212, 1-3, 301, https://doi.org/10.1016/S1387-3806(01)00494-8
. [all data]
Armentrout and Rodgers, 2000
Armentrout, P.B.; Rodgers, M.T.,
An Absolute Sodium Cation Affinity Scale: Threshold Collision-Induced Dissociation Experiments and ab Initio Theory,
J. Phys. Chem A, 2000, 104, 11, 2238, https://doi.org/10.1021/jp991716n
. [all data]
Guo, Purnell, et al., 1990
Guo, B.C.; Purnell, J.W.; Castleman, A.W.,
The Clustering Reactions of Benzene with Sodium and Lead Ions,
Chem. Phys. Lett., 1990, 168, 2, 155, https://doi.org/10.1016/0009-2614(90)85122-S
. [all data]
McMahon and Ohanessian, 2000
McMahon, T.B.; Ohanessian, G.,
An Experimental and Ab Initio Study of the Nature of the Binding in Gas-Phase Complexes of Sodium Ions,
Chem. Eur. J., 2000, 6, 16, 2931, https://doi.org/10.1002/1521-3765(20000818)6:16<2931::AID-CHEM2931>3.0.CO;2-7
. [all data]
Meot-Ner (Mautner) and El-Shall, 1986
Meot-Ner (Mautner), M.; El-Shall, M.S.,
Ionic Charge Transfer Complexes. 1. Cationic Complexes with Delocalized and Partially Localized pi Systems,
J. Am. Chem. Soc., 1986, 108, 15, 4386, https://doi.org/10.1021/ja00275a026
. [all data]
Meot-Ner (Mautner), 1989
Meot-Ner (Mautner), M.,
Ion DChemistry of Ferrocene. Thermochemistry of Ionization and Protonation and Solvent Clustering. Slow and Entropy - Driven Proton - Transfer Kinetics,
J. Am. Chem. Soc., 1989, 111, 8, 2830, https://doi.org/10.1021/ja00190a014
. [all data]
Meyer, Khan, et al., 1995
Meyer, F.; Khan, F.A.; Armentrout, P.B.,
Thermochemistry of Transition Metal Benzene complexes: Binding energies of M(C6H6)x+ (x = 1,2) for M = Ti to Cu,
J. Am. Chem. Soc., 1995, 117, 38, 9740, https://doi.org/10.1021/ja00143a018
. [all data]
Kemper, Bushnell, et al., 1993
Kemper, P.R.; Bushnell, J.; Von Koppen, P.; Bowers, M.T.,
Binding Energies of Co+(H2/CH4/C2H6)1,2,3 Clusters,
J. Phys. Chem., 1993, 97, 9, 1810, https://doi.org/10.1021/j100111a016
. [all data]
Ernstberger, Krause, et al., 1990
Ernstberger, B.; Krause, H.; Kiermeier, A.; Neusser, H.J.,
Multiphoton ionization and dissociation of mixed van der Waals clusters in a linear reflectron time-of-flight mass spectrometer,
J. Chem. Phys., 1990, 92, 9, 5285, https://doi.org/10.1063/1.458603
. [all data]
Ruhl, Bisling, et al., 1986
Ruhl, E.; Bisling, P.G.F.; Brutschy, B.; Baumgartel, H.,
Photoionization of Aromatic van der Waals Complexes in a Supersonic Jet,
Chem. Phys. Lett., 1986, 126, 3-4, 232, https://doi.org/10.1016/S0009-2614(86)80075-6
. [all data]
Deakyne and Meot-Ner (Mautner), 1985
Deakyne, C.A.; Meot-Ner (Mautner), M.,
Unconventional Ionic Hydrogen Bonds. 2. NH+ pi. Complexes of Onium Ions with Olefins and Benzene Derivatives,
J. Am. Chem. Soc., 1985, 107, 2, 474, https://doi.org/10.1021/ja00288a034
. [all data]
Searles and Kebarle, 1969
Searles, S.K.; Kebarle, P.,
Hydration of the Potassium Ion in the Gas Phase: Enthalpies and Entropies of Hydration Reactions K+(H2O)n-1 + H2O = K+(H2O)n for n=1 to n=6,
Can. J. Chem., 1969, 47, 14, 2619, https://doi.org/10.1139/v69-432
. [all data]
Caldwell, Masucci, et al., 1989
Caldwell, G.W.; Masucci, J.A.; Ikonomou, M.G.,
Negative Ion Chemical Ionization Mass Spectrometry - Binding of Molecules to Bromide and Iodide Anions,
Org. Mass Spectrom., 1989, 24, 1, 8, https://doi.org/10.1002/oms.1210240103
. [all data]
Lin, Chen, et al., 1997
Lin, C.-Y.; Chen, Q.; Chen, H.; Freiser, B.S.,
Observing Unimolecular Dissociation of Metastable Ions in FT-ICR: A Novel Application of the Continuous Ejection Technique,
J. Phys. Chem. A, 1997, 101, 34, 6023, https://doi.org/10.1021/jp970446a
. [all data]
Lin and Dunbar, 1997
Lin, C.-Y.; Dunbar, R.C.,
Radiative Association Kinetics and Binding Energies of Chromium Ions with Benzene and Benzene Derivatives,
Organometallics, 1997, 16, 12, 2691, https://doi.org/10.1021/om960949n
. [all data]
Hiraoka, Mizuse, et al., 1987
Hiraoka, K.; Mizuse, S.; Yamabe, S.,
A Determination of the Stability and Structure of F-(C6H6) and F-(C6F6) Clusters,
J. Chem. Phys., 1987, 86, 7, 4102, https://doi.org/10.1063/1.451920
. [all data]
Gapeev and Dunbar, 2002
Gapeev, A.; Dunbar, R.C.,
Reactivity and Binding Energies of Transition Metal Halide Ions with Benzene,
J. Am. Soc. Mass Spectrom., 2002, 13, 5, 477, https://doi.org/10.1016/S1044-0305(02)00373-2
. [all data]
Sen Sharma, Ikuta, et al., 1982
Sen Sharma, D.K.; Ikuta, S.; Kebarle, P.,
Alkylation of Benzene by Alkyl Cations. Stability of the tert - Butyl Benzenium Ion,
Can. J. Chem., 1982, 60, 18, 2325, https://doi.org/10.1139/v82-331
. [all data]
El-Shall and Meot-Ner (Mautner), 1987
El-Shall, M.S.; Meot-Ner (Mautner), M.,
Ionic Charge Transfer Complexes. 3. Delocalised pi Systems as Electron Acceptors and Donors,
J. Phys. Chem., 1987, 91, 5, 1088, https://doi.org/10.1021/j100289a017
. [all data]
Reents and Freiser, 1981
Reents, W.D.; Freiser, B.S.,
Gas-Phase Binding Energies and Spectroscopic Properties of NO+ Charge-Transfer Complexes,
J. Am. Chem. Soc., 1981, 103, 2791. [all data]
Farid and McMahon, 1978
Farid, R.; McMahon, T.B.,
Gas-Phase Ion-Molecule Reactions of Alkyl Nitrites by Ion Cyclotron Resonance Spectroscopy,
Int. J. Mass Spectrom. Ion Phys., 1978, 27, 2, 163, https://doi.org/10.1016/0020-7381(78)80037-0
. [all data]
Lee and Squires, 1986
Lee, R.E.; Squires, R.R.,
Anionic homoaromaticity: A gas phase experimental study,
J. Am. Chem. Soc., 1986, 105, 5078. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Cp,liquid Constant pressure heat capacity of liquid Cp,solid Constant pressure heat capacity of solid 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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.