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, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled 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 | -124.6 | kJ/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 | -123.1 ± 0.79 | kJ/mol | Ccb | Prosen, Johnson, et al., 1946 | ALS |
ΔfH°gas | -123.3 | kJ/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 | 298.19 | J/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 (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
34.07 | 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 |
42.59 | 100. | ||
54.80 | 150. | ||
69.05 | 200. | ||
95.20 | 273.15 | ||
105.3 ± 2.0 | 298.15 | ||
106.11 | 300. | ||
148.64 | 400. | ||
188.68 | 500. | ||
223.38 | 600. | ||
252.62 | 700. | ||
277.05 | 800. | ||
297.42 | 900. | ||
314.42 | 1000. | ||
328.66 | 1100. | ||
340.65 | 1200. | ||
350.79 | 1300. | ||
359.44 | 1400. | ||
366.85 | 1500. |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
138.07 | 370. | Spitzer R., 1946 | Please also see Montgomery J.B., 1942.; GT |
143.1 ± 1.3 | 384. | ||
146.44 | 390. | ||
153.97 | 410. | ||
161.8 ± 1.7 | 428. | ||
174.5 ± 1.7 | 460. | ||
189.5 ± 2.1 | 495. | ||
196.7 ± 2.1 | 521. | ||
206.3 ± 2.1 | 544. |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled 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 | -157.7 ± 1.8 | kJ/mol | Ccb | Spitzer and Huffman, 1947 | ALS |
ΔfH°liquid | -156.2 ± 0.79 | kJ/mol | Ccb | Prosen, Johnson, et al., 1946 | ALS |
ΔfH°liquid | -156.4 ± 1.3 | kJ/mol | Ccb | Moore, Renquist, et al., 1940 | Reanalyzed by Cox and Pilcher, 1970, Original value = -157.7 kJ/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -3930. ± 20. | kJ/mol | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 203.89 | J/mol*K | N/A | Aston, Szasa, et al., 1943 | DH |
S°liquid | 204.35 | J/mol*K | N/A | Ruehrwein and Huffman, 1943 | DH |
S°liquid | 205.9 | J/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 (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
156.00 | 298.15 | Trejo, Costas, et al., 1991 | DH |
156.90 | 298.15 | Lainez, Rodrigo, et al., 1989 | DH |
143.9 | 326.5 | Voss and Sloan, 1989 | T = 326.5 to 450.0 K. Unsmoothed experimental datum.; DH |
155.96 | 298.15 | Saito and Tanaka, 1988 | DH |
154.32 | 298.15 | Shiohama, Ogawa, et al., 1988 | DH |
155.13 | 293.15 | Kalali, Kohler, et al., 1987 | T = 293.15, 313.15 K.; DH |
157.06 | 298.15 | Jimenez, Romani, et al., 1986 | DH |
155.85 | 298.15 | Ortega, 1986 | DH |
156.5 | 298.15 | Nkinamubanzi, Charlet, et al., 1985 | DH |
155.96 | 298.15 | Tanaka, Nakamichi, et al., 1985 | DH |
154.81 | 293.15 | Siddiqi, Svejda, et al., 1983 | DH |
156.4 | 298.15 | Grolier, Inglese, et al., 1982 | DH |
156.0 | 298.15 | Tanaka, 1982 | T = 293.15, 298.15, 303.15 K. Data at three temperatures.; DH |
156.149 | 298.15 | Fortier, D'Arcy, et al., 1979 | DH |
156.12 | 298.15 | Vesely, Zabransky, et al., 1979 | DH |
156.4 | 298.15 | Wilhelm, Grolier, et al., 1979 | DH |
156.35 | 298.15 | Grolier, Wilhelm, et al., 1978 | DH |
156.7 | 298. | Safir, 1978 | T = 298 to 313 K. Data calculated from equation Cp = 1.7493 + 0.00452 T kJ/kg*K.; DH |
156.12 | 298.15 | Vesely, Svoboda, et al., 1977 | T = 298 to 318 K.; DH |
156.07 | 298.15 | Fortier, Benson, et al., 1976 | DH |
156.070 | 298.15 | Fortier and Benson, 1976 | DH |
156.20 | 298.15 | Jolicoeur, Boileau, et al., 1975 | DH |
154.80 | 293.15 | Wilhelm, Zettler, et al., 1974 | T = 273 to 323 K.; DH |
159.6 | 298.15 | Subrahmanyam and Rajagopal, 1973 | T = 298 to 323 K.; DH |
155.2 | 298.15 | Wilhelm, Schano, et al., 1969 | Temperature 20, 30, and 40°C.; DH |
155.5 | 298. | Recko, 1968 | T = 24 to 40°C, equation only.; DH |
152.93 | 298. | Nikolaev, Rabinovich, et al., 1966 | T = 10 to 50°C.; DH |
155.31 | 298.00 | Moelwyn-Hughes and Thorpe, 1964 | T = 297 to 327 K.; DH |
155.2 | 311. | Swietoslawski and Zielenkiewicz, 1960 | Mean value 20 to 56°C.; DH |
154.2 | 300. | Auerbach, Sage, et al., 1950 | T = 300 to 366 K. Cp given as 0.4378 Btu/lb*R at 80°F.; DH |
155.85 | 295. | Aston, Szasa, et al., 1943 | T = 12 to 293 K.; DH |
156.31 | 298.15 | Ruehrwein and Huffman, 1943 | T = 13 to 302 K.; DH |
100.4 | 304.2 | Phillip, 1939 | DH |
143.9 | 298.9 | Parks, Huffman, et al., 1930 | T = 92 to 299 K. Value is unsmoothed experimental datum.; DH |
176.1 | 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, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled 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 | 40.7 ± 0.5 | bar | 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° | 33.1 ± 0.4 | kJ/mol | AVG | N/A | Average of 19 out of 21 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
29.97 | 353.9 | N/A | Majer and Svoboda, 1985 | |
33.334 | 298.15 | N/A | Aston, Szasa, et al., 1943 | P = 13.18 kPa; DH |
33.1 | 315. | EB | Gierycz, Kosowski, et al., 2009 | Based on data from 296. to 353. K.; AC |
32.7 | 315. | N/A | Lubomska, Banas, et al., 2002 | Based on data from 300. to 345. K.; AC |
31.9 | 324. | EB | Diogo, Santos, et al., 1995 | Based on data from 313. to 336. K.; AC |
32.2 | 375. | N/A | Lee and Holder, 1993 | Based on data from 360. to 470. K.; AC |
32.3 | 314. | C | Dong, Lin, et al., 1988 | AC |
31.1 | 332. | C | Dong, Lin, et al., 1988 | AC |
30.3 | 345. | C | Dong, Lin, et al., 1988 | AC |
30.0 | 355. | C | Dong, Lin, et al., 1988 | AC |
30.9 | 368. | A | Stephenson and Malanowski, 1987 | Based on data from 353. to 414. K.; AC |
29.6 | 427. | A | Stephenson and Malanowski, 1987 | Based on data from 412. to 491. K.; AC |
29.6 | 504. | A | Stephenson and Malanowski, 1987 | Based on data from 489. to 553. K.; AC |
32.9 | 308. | A,MM | Stephenson and Malanowski, 1987 | Based on data from 293. to 355. K. See also Willingham, Taylor, et al., 1945.; AC |
32.3 ± 0.1 | 313. | C | Majer, Svoboda, et al., 1979 | AC |
31.2 ± 0.1 | 333. | C | Majer, Svoboda, et al., 1979 | AC |
31.0 ± 0.1 | 338. | C | Majer, Svoboda, et al., 1979 | AC |
30.4 ± 0.1 | 348. | C | Majer, Svoboda, et al., 1979 | AC |
30.1 ± 0.1 | 353. | C | Majer, Svoboda, et al., 1979 | AC |
32.2 ± 0.1 | 313. | C | Svoboda, Veselý, et al., 1973 | AC |
31.9 ± 0.1 | 323. | C | Svoboda, Veselý, et al., 1973 | AC |
31.1 ± 0.1 | 333. | C | Svoboda, Veselý, et al., 1973 | AC |
30.6 ± 0.1 | 343. | C | Svoboda, Veselý, et al., 1973 | AC |
30.1 ± 0.1 | 354. | C | Svoboda, Veselý, et al., 1973 | AC |
32.5 | 318. | N/A | Gaw and Swinton, 1968 | Based on data from 303. to 343. K.; AC |
32.9 | 313. | N/A | Cruickshank and Cutler, 1967 | Based on data from 298. to 348. K.; AC |
32.8 | 331. | N/A | Marinichev and Susarev, 1965 | Based on data from 316. to 354. K.; AC |
31.4 ± 0.1 | 324. | C | McCullough, Person, et al., 1951 | AC |
30.4 ± 0.1 | 346. | C | McCullough, Person, et al., 1951 | AC |
30.1 | 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)
(kJ/mol)
Tr = reduced temperature (T / Tc)
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Temperature (K) | 292. to 422. |
---|---|
A (kJ/mol) | 43.32 |
α | -0.1437 |
β | 0.4512 |
Tc (K) | 553.4 |
Reference | Majer and Svoboda, 1985 |
Entropy of vaporization
ΔvapS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
111.80 | 298.15 | Aston, Szasa, et al., 1943 | P; DH |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
323. to 523. | 4.13983 | 1316.554 | -35.581 | Kerns, Anthony, et al., 1974 | Coefficents calculated by NIST from author's data. |
303. to 343. | 3.9920 | 1216.93 | -48.621 | Gaw and Swinton, 1968, 2 | Coefficents calculated by NIST from author's data. |
315.70 to 353.90 | 3.17125 | 780.637 | -107.29 | Marinichev and Susarev, 1965, 2 | Coefficents calculated by NIST from author's data. |
293.06 to 354.73 | 3.96988 | 1203.526 | -50.287 | Williamham, Taylor, et al., 1945 |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
27.6 | 265. | A | Stephenson and Malanowski, 1987 | Based on data from 223. to 280. K.; AC |
46.6 | 186. | B | Bondi, 1963 | AC |
37.2 | 273. | N/A | Jones, 1960 | Based on data from 268. to 278. K.; AC |
37.7 | 248. | A | Stull, 1947 | Based on data from 228. to 268. K.; AC |
36.5 | 274. | A | Rotinjanz and Nagornow, 1934 | Based on data from 269. to 279. K.; AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
2.68 | 279.8 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
36.2 | 186.1 | Domalski and Hearing, 1996 | CAL |
9.57 | 279.8 |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
6.686 | 186.09 | crystaline, II | crystaline, I | Aston, Szasa, et al., 1943 | DH |
2.628 | 279.84 | crystaline, I | liquid | Aston, Szasa, et al., 1943 | DH |
6.7396 | 186.1 | crystaline, II | crystaline, I | Ruehrwein and Huffman, 1943 | DH |
2.6769 | 279.82 | crystaline, I | liquid | Ruehrwein and Huffman, 1943 | DH |
6.820 | 186.4 | crystaline, II | crystaline, I | Ziegler and Andrews, 1942 | DH |
2.728 | 279.4 | crystaline, I | liquid | Ziegler and Andrews, 1942 | DH |
6.234 | 185.9 | crystaline, II | crystaline, I | Parks, Huffman, et al., 1930 | DH |
2.423 | 279.3 | crystaline, I | liquid | Parks, Huffman, et al., 1930 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
35.93 | 186.09 | crystaline, II | crystaline, I | Aston, Szasa, et al., 1943 | DH |
9.39 | 279.84 | crystaline, I | liquid | Aston, Szasa, et al., 1943 | DH |
36.21 | 186.1 | crystaline, II | crystaline, I | Ruehrwein and Huffman, 1943 | DH |
9.57 | 279.82 | crystaline, I | liquid | Ruehrwein and Huffman, 1943 | DH |
36.59 | 186.4 | crystaline, II | crystaline, I | Ziegler and Andrews, 1942 | DH |
9.76 | 279.4 | crystaline, I | liquid | Ziegler and Andrews, 1942 | DH |
33.53 | 185.9 | crystaline, II | crystaline, I | Parks, Huffman, et al., 1930 | DH |
8.68 | 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, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled 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° | -118. ± 6. | kJ/mol | AVG | N/A | Average of 8 values; Individual data points |
By formula: H4N+ + C6H12 = (H4N+ • C6H12)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 40. | kJ/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° | 84. | J/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° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
12. | 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° | 46.9 | kJ/mol | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 110. | J/mol*K | N/A | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
13. | 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° | 1750. ± 8.4 | kJ/mol | Bran | Peerboom, Rademaker, et al., 1992 | gas phase; B |
ΔrH° | 1702.1 ± 3.8 | kJ/mol | G+TS | Bohme, Lee-Ruff, et al., 1972 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1713. ± 9.2 | kJ/mol | H-TS | Peerboom, Rademaker, et al., 1992 | gas phase; B |
ΔrG° | >1665.2 | kJ/mol | IMRB | Bohme, Lee-Ruff, et al., 1972 | gas phase; B |
By formula: 2H2 + C6H8 = C6H12
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -224.4 ± 1.2 | kJ/mol | Chyd | Turner, Mallon, et al., 1973 | liquid phase; solvent: Glacial acetic acid; ALS |
ΔrH° | -229.6 ± 0.42 | kJ/mol | Chyd | Kistiakowsky, Ruhoff, et al., 1936 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -231.7 ± 0.4 kJ/mol; At 355 °K; ALS |
By formula: 2H2 + C6H8 = C6H12
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -233. | kJ/mol | Chyd | Roth, Adamczak, et al., 1991 | liquid phase; ALS |
ΔrH° | -225.5 ± 1.4 | kJ/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° | 159. | kJ/mol | PHPMS | Li and Stone, 1989 | gas phase; condensation; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 201. | J/mol*K | PHPMS | Li and Stone, 1989 | gas phase; condensation; M |
By formula: 3H2 + C6H6 = C6H12
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -205.3 ± 0.63 | kJ/mol | Chyd | Kistiakowsky, Ruhoff, et al., 1936 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -208.4 ± 0.63 kJ/mol; At 355 °K; ALS |
By formula: HI + C6H11I = C6H12 + I2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -32.6 ± 8.4 | kJ/mol | Cm | Brennan and Ubbelohde, 1956 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -28. ± 4.2 kJ/mol; ALS |
By formula: Li+ + C6H12 = (Li+ • C6H12)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 100. | kJ/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° | -14.69 | kJ/mol | Eqk | Glasebrook and Lovell, 1939 | liquid phase; Heat of isomerization; ALS |
By formula: 2H2 + C6H8 = C6H12
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -426.8 ± 7.9 | kJ/mol | Chyd | Roth, Adamczak, et al., 1991 | liquid phase; ALS |
By formula: C6H12O = C6H12 + H2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 63.4 ± 2.3 | kJ/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° | -143.1 | kJ/mol | Cm | Kirkbride, 1956 | liquid phase; ALS |
By formula: C6H12 = C6H12
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.1 ± 1.2 | kJ/mol | Eqk | Kabo and Andreevskii, 1973 | liquid phase; ALS |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, 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, IR Spectrum, UV/Visible spectrum, Vibrational and/or electronic energy levels, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
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 |
UV/Visible spectrum
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina
Spectrum
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Additional Data
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Download spectrum in JCAMP-DX format.
Source | Pickett, Muntz, et al., 1951 |
---|---|
Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
Source reference | RAS UV No. 193 |
Instrument | Hilger prism spectrograph |
Melting point | 6.6 |
Boiling point | 80.7 |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible 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 by: Takehiko Shimanouchi
Symmetry: D3d Symmetry Number σ = 6
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
a1g | 1 | CH2 a-str | 2930 | E | ia | 2938 VS p | liq. | FR(2ν3) | ||
a1g | 1 | CH2 a-str | 2930 | E | ia | 2923 VS p | liq. | FR(2ν3) | ||
a1g | 2 | CH2 s-str | 2852 | C | ia | 2852 VS p | liq. | |||
a1g | 3 | CH2 scis | 1465 | C | ia | 1465 M p | liq. | |||
a1g | 4 | CH2 rock | 1157 | C | ia | 1157 S p | liq. | |||
a1g | 5 | CC str | 802 | C | ia | 802 VS p | liq. | |||
a1g | 6 | CCC deform + CC torsion | 383 | C | ia | 383 M p | liq. | |||
a1u | 7 | CH2 twist | 1383 | C | 1383 | gas | ia | Observed in the crystalline state at about ν90 K | ||
a1u | 8 | CH2 wag | 1157 | C | 1157 | gas | ia | Observed in the crystalline state at about ν90 K | ||
a1u | 9 | CC str + CC torsion | 1057 | C | 1057 | gas | ia | Observed in the crystalline state at about ν90 K | ||
a2g | 10 | CH2 wag | 1437 | C | 1437 | gas | ia | Observed in the crystalline state at about ν90 K | ||
a2g | 11 | CH2 twist | 1090 | C | 1090 | gas | ia | Observed in the crystalline state at about ν90 K | ||
a2u | 12 | CH2 a-str | 2915 | E | 2915 M | gas | ia | |||
a2u | 13 | CH2 s-str | 2860 | E | ia | SF(ν2,ν18,ν26) | ||||
a2u | 14 | CH2 scis | 1437 | C | 1437 M | gas | ia | |||
a2u | 15 | CH2 rock | 1030 | D | 1040 M | gas | ia | FR(ν23+ν32) | ||
a2u | 15 | CH2 rock | 1030 | D | 1016 M | gas | ia | FR(ν23+ν32) | ||
a2u | 16 | CCC deform | 523 | A | 523 W | gas | ia | |||
eg | 17 | CH2 a-str | 2930 | E | ia | SF(ν1,ν12,ν25) | ||||
eg | 18 | CH2 s-str | 2897 | E | ia | 2897 M vb | ||||
eg | 19 | CH2 scis | 1443 | C | ia | 1443 S dp | ||||
eg | 20 | CH2 wag | 1347 | C | ia | 1347 S dp | ||||
eg | 21 | CH2 twist | 1266 | C | ia | 1266 VS dp | ||||
eg | 22 | CC str | 1027 | C | ia | 1027 VS dp | ||||
eg | 23 | CH2 rock | 785 | C | 785 | gas | 785 VW dp | liq. | Observed in the crystalline state at about ν90 K | |
eg | 24 | CCC deform + CC torsion | 426 | C | ia | 426 S dp | liq. | |||
eu | 25 | CH2 a-str | 2933 | A | 2933 VS | gas | ia | |||
eu | 26 | CH2 s-str | 2863 | A | 2863 VS | gas | ia | |||
eu | 27 | CH2 scis | 1457 | A | 1457 VS | gas | ia | |||
eu | 28 | CH2 wag | 1355 | B | 1355 W | gas | ia | |||
eu | 29 | CH2 twist | 1261 | A | 1261 S | gas | ia | |||
eu | 30 | CH2 rock | 907 | B | 907 S | gas | ia | |||
eu | 31 | CC str | 863 | A | 863 S | gas | ia | |||
eu | 32 | CCC deform + CC torsion | 248 | C | 248 VW | liq. | ia | |||
Source: Shimanouchi, 1972
Notes
VS | Very strong |
S | Strong |
M | Medium |
W | Weak |
VW | Very weak |
ia | Inactive |
vb | Very broad |
p | Polarized |
dp | Depolarized |
FR | Fermi resonance with an overtone or a combination tone indicated in the parentheses. |
SF | Calculation shows that the frequency approximately equals that of the vibration indicated in the parentheses. |
A | 0~1 cm-1 uncertainty |
B | 1~3 cm-1 uncertainty |
C | 3~6 cm-1 uncertainty |
D | 6~15 cm-1 uncertainty |
E | 15~30 cm-1 uncertainty |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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Notes
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- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Cp,liquid Constant pressure heat capacity of liquid 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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