Biphenyl
- Formula: C12H10
- Molecular weight: 154.2078
- IUPAC Standard InChIKey: ZUOUZKKEUPVFJK-UHFFFAOYSA-N
- CAS Registry Number: 92-52-4
- 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: 1,1'-Biphenyl; Bibenzene; Diphenyl; Phenylbenzene; 1,1'-Diphenyl; Lemonene; Phenador-X; PhPh; Xenene; Carolid AL; Tetrosin LY; NSC 14916; 1,1-Biphenyl
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled 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 | 180. ± 3. | kJ/mol | AVG | N/A | Average of 6 values; Individual data points |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
50.35 | 50. | Dorofeeva O.V., 1997 | None of the statistically calculated values of S(T) known from literature [ Trevissoi C., 1955, Katon J.E., 1959, Aleman H., 1973, Thermodynamics Research Center, 1997] is in full accord with experimental data (see also discussion in [ Chirico R.D., 1989]). Recommended values agree with experimental values within their uncertainties except for temperature range 340-460 K where discrepancies amount to 0.4-0.6 J/mol*K.; GT |
64.83 | 100. | ||
84.28 | 150. | ||
108.91 | 200. | ||
151.47 | 273.15 | ||
166.7 ± 1.0 | 298.15 | ||
167.80 | 300. | ||
225.53 | 400. | ||
273.62 | 500. | ||
311.78 | 600. | ||
342.14 | 700. | ||
366.75 | 800. | ||
387.07 | 900. | ||
404.06 | 1000. | ||
418.42 | 1100. | ||
430.64 | 1200. | ||
441.10 | 1300. | ||
450.09 | 1400. | ||
457.86 | 1500. |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
DH - Eugene S. Domalski and Elizabeth D. Hearing
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°solid | 98.2 ± 2.5 | kJ/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°solid | 96.7 ± 2.6 | kJ/mol | Ccb | Montgomery, Rossini, et al., 1978 | ALS |
ΔfH°solid | 100.5 ± 1.5 | kJ/mol | Ccb | Coleman and Pilcher, 1966 | ALS |
ΔfH°solid | 96.8 ± 4.0 | kJ/mol | Ccb | Mackle and O'Hare, 1963 | ALS |
ΔfH°solid | 97.2 ± 1.6 | kJ/mol | Ccb | Parks and Vaughan, 1951 | Reanalyzed by Cox and Pilcher, 1970, Original value = 96.65 kJ/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -6250. ± 20. | kJ/mol | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
S°solid,1 bar | 209.38 | J/mol*K | N/A | Chirico, Knipmeyer, et al., 1989 | DH |
S°solid,1 bar | 209.00 | J/mol*K | N/A | Saito, Atake, et al., 1988 | DH |
S°solid,1 bar | 205.9 | J/mol*K | N/A | Huffman, Parks, et al., 1930 | Extrapolation below 90 K, 65.4 J/mol*K.; DH |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
285.3 | 370. | Walker, Brooks, et al., 1958 | T = 200 to 600°F.; DH |
301.2 | 422. | McEwen, March 31 1956 | T = 300 to 600°C.; DH |
300.0 | 370. | Kurbatov, 1950 | T = 98 to 255°C. Mp 70.8°C.; DH |
263.2 | 350.8 | Forrest, Brugmann, et al., 1931 | T = 350 to 620 K. Value is unsmoothed experimental datum.; DH |
259.54 | 298. | Newton, Kaura, et al., 1931 | T = 100 to 300°C, equation only, in t°C. Cp(liq) = 0.388 + 0.00057t cal/g*K.; DH |
Constant pressure heat capacity of solid
Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
198.39 | 298.15 | Chirico, Knipmeyer, et al., 1989 | T = 5 to 700 K.; DH |
198.17 | 298.15 | Saito, Atake, et al., 1988 | T = 3 to 300 K.; DH |
197.7 | 298.15 | O'Rourke and Mraw, 1983 | T = 220 to 475 K. Cp = 0.7143 (T/K) - 15.3 (220 to 342.2 K) J/mol*K.; DH |
190. | 300. | Wasicki, Radomska, et al., 1982 | T = 180 to 350 K. Data given graphically. Value estimated from graph.; DH |
190.8 | 298.15 | Ueberreiter and Orthmann, 1950 | T = 293 to 368 K. Equation only.; DH |
197.9 | 298.1 | Schmidt, 1941 | T = 20 to 200°C, equations only, in t°C. Cp(c) = 0.2745 + 0.001235t cal/g*K (20 to 69°C); Cp(liq) = 0.3917 + 0.0005206t cal/g*K (69 to 200°C).; DH |
197.9 | 303. | Spaght, Thomas, et al., 1932 | T = 30 to 100°C.; DH |
194.1 | 294.4 | Huffman, Parks, et al., 1930 | T = 93 to 295 K. Value is unsmoothed experimental datum.; DH |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
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 | 527. ± 2. | K | AVG | N/A | Average of 40 out of 42 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 343. ± 1. | K | AVG | N/A | Average of 285 out of 294 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 342.090 | K | N/A | Chirico, Knipmeyer, et al., 1989, 2 | Uncertainty assigned by TRC = 0.01 K; TRC |
Ttriple | 341.8 | K | N/A | Parks and Huffman, 1931 | Uncertainty assigned by TRC = 0.3 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 780. ± 20. | K | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 35. ± 6. | bar | AVG | N/A | Average of 8 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.497 | l/mol | N/A | Tsonopoulos and Ambrose, 1995 | |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 2.0 ± 0.1 | mol/l | N/A | Tsonopoulos and Ambrose, 1995 | |
ρc | 2.01 | mol/l | N/A | Ellard and Yanko, 1963 | Uncertainty assigned by TRC = 0.065 mol/l; TRC |
ρc | 2.09 | mol/l | N/A | Reiter, 1963 | Uncertainty assigned by TRC = 0.065 mol/l; TRC |
ρc | 1.99 | mol/l | N/A | Mandel and Ewbank, 1960 | Uncertainty assigned by TRC = 0.097 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 62. ± 10. | kJ/mol | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 82. ± 3. | kJ/mol | AVG | N/A | Average of 10 values; Individual data points |
Reduced pressure boiling point
Tboil (K) | Pressure (bar) | Reference | Comment |
---|---|---|---|
418.2 | 0.029 | Weast and Grasselli, 1989 | BS |
418. | 0.029 | Buckingham and Donaghy, 1982 | BS |
343. to 351. | 0.0003 | Buckingham and Donaghy, 1982 | BS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
51.2 | 510. | DSC | Back, Grzyll, et al., 1996 | Based on data from 495. to 688. K.; AC |
57.4 | 400. | EB | Chirico, Knipmeyer, et al., 1989 | Based on data from 350. to 578. K.; AC |
60.3 | 360. | EB | Chirico, Knipmeyer, et al., 1989 | Based on data from 350. to 578. K.; AC |
50.4 | 500. | EB | Chirico, Knipmeyer, et al., 1989 | Based on data from 350. to 578. K.; AC |
59.6 | 363. | GS | Sakoguchi, Iwai, et al., 1989 | Based on data from 348. to 453. K.; AC |
60.4 | 363. | N/A | Sasse, N'guimbi, et al., 1989 | Based on data from 333. to 393. K.; AC |
57.3 | 405. | A | Stephenson and Malanowski, 1987 | Based on data from 390. to 563. K.; AC |
54.9 | 417. | GS | Nasir, Hwang, et al., 1980 | Based on data from 396. to 437. K.; AC |
48.0 | 647. | N/A | Glaser and Rüland, 1957 | Based on data from 528. to 766. K.; AC |
59.4 | 357. | N/A | Cunningham, 1930 | Based on data from 342. to 544. K. See also Boublik, Fried, et al., 1984.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
342.3 to 544.3 | 4.35685 | 1987.623 | -71.556 | Cunningham, 1930, 2 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
81.520 | 298.15 | N/A | Chirico, Knipmeyer, et al., 1989 | DH |
81.8 | 383. | GS | Nass, Lenoir, et al., 1995 | Based on data from 313. to 453. K.; AC |
83.4 | 311. | EM | Sasse, N'guimbi, et al., 1989 | Based on data from 283. to 338. K.; AC |
76.0 ± 4.0 | 273. to 313. | HSA | Chickos, 1975 | AC |
80.4 ± 1.6 | 319. | TSGC | Clark, Knox, et al., 1975 | Based on data from 306. to 332. K.; AC |
75.2 | 298. to 318. | ME | Pribilová and Pouchlý, 1974 | AC |
83.6 ± 2.5 | 283. | V | Radchenko and Kitaigorodskii, 1974 | ALS |
75.81 ± 0.59 | 342.5 | V | Aihara, 1959 | ALS |
75.8 ± 0.6 | 289. | N/A | Aihara, 1955 | Based on data from 279. to 299. K.; AC |
81.6 ± 1.7 | 301. | N/A | Bradley and Cleasby, 1953 | Based on data from 288. to 314. K.; AC |
81.588 | 288.05 | V | Bradley and Cleasby, 1953, 2 | ALS |
75.1 ± 1.7 | 297. | N/A | Seki and Suzuki, 1953 | Based on data from 287. to 307. K.; AC |
68.6 ± 0.8 | 292. | QF | Wolf and Weghofer, 1938 | AC |
68.6 ± 0.8 | 295. | V | Wolf and Weghofer, 1938, 2 | ALS |
Entropy of sublimation
ΔsubS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
273.42 | 298.15 | Chirico, Knipmeyer, et al., 1989 | DH |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
18.5760 | 342.098 | N/A | Chirico, Knipmeyer, et al., 1989 | DH |
18.580 | 342.2 | N/A | O'Rourke and Mraw, 1983 | DH |
18.800 | 344.1 | N/A | Smith, 1979 | DH |
18.648 | 341.5 | N/A | Spaght, Thomas, et al., 1932 | DH |
19.7 | 342.3 | DSC | Khimeche and Dahmani, 2006 | AC |
19.27 | 344.34 | DSC | Benkhennouf, Kamel, et al., 2004 | AC |
18.66 | 341.5 | N/A | Domalski and Hearing, 1996 | AC |
18.575 | 343. | N/A | Ueberreiter and Orthmann, 1950 | DH |
18.594 | 342. | N/A | Schmidt, 1941 | DH |
18.945 | 314.3 | N/A | Eykman, 1889 | DH |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
54.300 | 342.098 | Chirico, Knipmeyer, et al., 1989 | DH |
54.3 | 342.2 | O'Rourke and Mraw, 1983 | DH |
54.6 | 344.1 | Smith, 1979 | DH |
54.6 | 341.5 | Spaght, Thomas, et al., 1932 | DH |
54.81 | 341.5 | Domalski and Hearing, 1996 | CAL |
54.2 | 343. | Ueberreiter and Orthmann, 1950 | DH |
54.4 | 342. | Schmidt, 1941 | DH |
60.3 | 314.3 | Eykman, 1889 | DH |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.00015 | 16.8 | crystaline, III | crystaline, II | Saito, Atake, et al., 1988 | DH |
0.00502 | 40.4 | crystaline, II | crystaline, I | Saito, Atake, et al., 1988 | Twist transition.; DH |
0.00015 | 16.8 | crystaline, III | crystaline, II | Atake, Saito, et al., 1983 | Anomalous region: 15.3 to 18.3 K.; DH |
0.00502 | 40.4 | crystaline, II | crystaline, I | Atake, Saito, et al., 1983 | Anomalous region: 30 to 47 K.; DH |
0.000293 | 11.0 | crystaline, III | crystaline, II | Ataki and Chihara, 1980 | DH |
0.00502 | 40.4 | crystaline, II | crystaline, I | Ataki and Chihara, 1980 | DH |
19.900 | 343.3 | crystaline, I | liquid | Wasicki, Radomska, et al., 1982 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.009 | 16.8 | crystaline, III, Lock | crystaline, II, in transition | Saito, Atake, et al., 1988 | DH |
0.129 | 40.4 | crystaline, II | crystaline, I | Saito, Atake, et al., 1988 | Twist; DH |
0.009 | 16.8 | crystaline, III | crystaline, II | Atake, Saito, et al., 1983 | Anomalous; DH |
0.129 | 40.4 | crystaline, II | crystaline, I | Atake, Saito, et al., 1983 | Anomalous; DH |
0.025 | 11.0 | crystaline, III | crystaline, II | Ataki and Chihara, 1980 | DH |
0.129 | 40.4 | crystaline, II | crystaline, I | Ataki and Chihara, 1980 | DH |
58.0 | 343.3 | crystaline, I | liquid | Wasicki, Radomska, et al., 1982 | DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
MS - José A. Martinho Simões
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
By formula: C10H8+ + C12H10 = (C10H8+ • C12H10)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 56.5 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1980 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 120. | J/mol*K | N/A | Meot-Ner (Mautner), 1980 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
22. | 297. | PHPMS | Meot-Ner (Mautner), 1980 | gas phase; Entropy change calculated or estimated; M |
By formula: C12H8+ + C12H10 = (C12H8+ • C12H10)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 56.1 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1980 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 120. | J/mol*K | N/A | Meot-Ner (Mautner), 1980 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
23. | 279. | PHPMS | Meot-Ner (Mautner), 1980 | gas phase; Entropy change calculated or estimated; M |
C17H24F3N3O3RuS (solution) + (solution) = C23H25F3O3RuS (solution) + 3
(solution)
By formula: C17H24F3N3O3RuS (solution) + C12H10 (solution) = C23H25F3O3RuS (solution) + 3C2H3N (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -15.1 ± 0.4 | kJ/mol | RSC | Nolan, Martin, et al., 1992 | solvent: Tetrahydrofuran; MS |
By formula: 3H2 + C12H10 = C12H16
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -230. | kJ/mol | Eqk | Frye, 1962 | liquid phase; ALS |
Henry's Law data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), 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: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
1.2 | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. | |
3.6 | L | N/A | ||
3.3 | M | N/A | ||
2.5 | M | Mackay, Shiu, et al., 1979 | ||
1.2 | V | Bohon and Claussen, 1951 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
MM - Michael M. Meot-Ner (Mautner)
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess
View reactions leading to C12H10+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 8.16 ± 0.13 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 813.6 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 782.9 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
<0.130 ± 0.035 | ECD | Wojnarovits and Foldiak, 1981 | EA is an upper limit: Chen and Wentworth, 1989. G3MP2B3 calculations indicate an EA of ca. -0.02 eV, anion unbound.; B |
Proton affinity at 298K
Proton affinity (kJ/mol) | Reference | Comment |
---|---|---|
808.8 | Aue, Guidoni, et al., 2000 | Experimental literature data re-evaluated by the authors using ab initio protonation entropies; MM |
Gas basicity at 298K
Gas basicity (review) (kJ/mol) | Reference | Comment |
---|---|---|
780.7 | Aue, Guidoni, et al., 2000 | Experimental literature data re-evaluated by the authors using ab initio protonation entropies; MM |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.80 ± 0.05 | EI | Loudon and Mazengo, 1974 | LLK |
8.9 | EI | Koppel, Schwarz, et al., 1974 | LLK |
7.95 ± 0.02 | PE | Maier and Turner, 1972 | LLK |
8.23 ± 0.01 | PE | Dewar, Haselbach, et al., 1970 | RDSH |
8.20 ± 0.05 | PE | Eland and Danby, 1968 | RDSH |
8.46 | CTS | Slifkin and Allison, 1967 | RDSH |
8.22 ± 0.15 | EI | Eland, Shepherd, et al., 1966 | RDSH |
8.27 ± 0.01 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
8.64 | CTS | Kinoshita, 1962 | RDSH |
8.35 | CTS | Briegleb, Czekalla, et al., 1961 | RDSH |
8.4 | CTS | Briegleb and Czekalla, 1959 | RDSH |
8.39 | PE | Akiyama, Li, et al., 1979 | Vertical value; LLK |
8.34 | PE | Ruscic, Kovac, et al., 1978 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C6H4+ | 18.1 ± 0.3 | ? | EI | Natalis and Franklin, 1965 | RDSH |
C6H5+ | 18.2 ± 0.5 | ? | EI | Natalis and Franklin, 1965 | RDSH |
C7H5+ | 20.9 ± 0.2 | ? | EI | Natalis and Franklin, 1965 | RDSH |
C8H6+ | 18.10 ± 0.05 | ? | EI | Natalis and Franklin, 1965 | RDSH |
C9H7+ | 16.08 ± 0.05 | ? | EI | Natalis and Franklin, 1965 | RDSH |
C10H8+ | 14.81 ± 0.05 | ? | EI | Natalis and Franklin, 1965 | RDSH |
C11H7+ | 14.8 ± 0.2 | CH3 | EI | Loudon and Mazengo, 1974 | LLK |
C12H8+ | 16.89 ± 0.08 | ? | EI | Natalis and Franklin, 1965 | RDSH |
C12H9+ | 13.6 ± 0.2 | H | EI | Loudon and Mazengo, 1974 | LLK |
C12H9+ | 14.36 | H | EI | Natalis and Franklin, 1965 | RDSH |
C12H82+ | 22.0 ± 1.0 | ? | EI | Natalis and Franklin, 1965 | RDSH |
Ion clustering data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Michael M. Meot-Ner (Mautner) and Sharon G. Lias
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
By formula: C10H8+ + C12H10 = (C10H8+ • C12H10)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 56.5 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1980 | gas phase; Entropy change calculated or estimated |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 120. | J/mol*K | N/A | Meot-Ner (Mautner), 1980 | gas phase; Entropy change calculated or estimated |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
22. | 297. | PHPMS | Meot-Ner (Mautner), 1980 | gas phase; Entropy change calculated or estimated |
By formula: C12H8+ + C12H10 = (C12H8+ • C12H10)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 56.1 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1980 | gas phase; Entropy change calculated or estimated |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 120. | J/mol*K | N/A | Meot-Ner (Mautner), 1980 | gas phase; Entropy change calculated or estimated |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
23. | 279. | PHPMS | Meot-Ner (Mautner), 1980 | gas phase; Entropy change calculated or estimated |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), References, Notes
Data compiled by: Coblentz Society, Inc.
- SOLUTION (10% CCl4 FOR 4000-1340, 10% CCl4 FOR 430-200, 10% CS2 FOR 1340-430 CM-1); BECKMAN IR-12 (GRATING); DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY; 2 cm-1 resolution
- VAPOR (1.0 MICROLITER AT 245 C); NICOLET FTIR; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 CM-1 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, Henry's Law data, Gas phase ion energetics data, Ion clustering 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | NIST Mass Spectrometry Data Center, 1990. |
NIST MS number | 114218 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), 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
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy Cp,gas Constant pressure heat capacity of gas Cp,liquid Constant pressure heat capacity of liquid Cp,solid Constant pressure heat capacity of solid EA Electron affinity IE (evaluated) Recommended ionization energy Pc Critical pressure 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 d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid 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 ΔsubS Entropy of sublimation ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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