Phenanthrene
- Formula: C14H10
- Molecular weight: 178.2292
- IUPAC Standard InChIKey: YNPNZTXNASCQKK-UHFFFAOYSA-N
- CAS Registry Number: 85-01-8
- 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: Phenanthren; Phenanthrin; Phenantrin
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, 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 | 48.33 ± 0.55 | 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 | 48.1 ± 1.1 | kcal/mol | Ccb | Steele, Chirico, et al., 1990 | Δ Hfusion = 15.96±0.05 kJ/mol; ALS |
ΔfH°gas | 49.5 ± 1.1 | kcal/mol | Ccb | Coleman and Pilcher, 1966 | Author was aware that data differs from previously reported values; ALS |
ΔfH°gas | 48.71 | kcal/mol | N/A | Bender and Farber, 1952 | Value computed using ΔfHsolid° value of 113.0 kj/mol from Bender and Farber, 1952 and ΔsubH° value of 90.8 kj/mol from Bender and Farber, 1952.; DRB |
ΔfH°gas | 39.10 | kcal/mol | N/A | Richardson and Parks, 1939 | Value computed using ΔfHsolid° value of 72.8±2.6 kj/mol from Richardson and Parks, 1939 and ΔsubH° value of 90.8 kj/mol from Richardson and Parks, 1939.; DRB |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
9.883 | 50. | Dorofeeva O.V., 1988 | These functions are also reproduced in the reference book [ Frenkel M., 1994]. Recommended values of S(T) and Cp(T) agree with those calculated by [ Kudchadker S.A., 1979] within 1.3 J/mol*K.; GT |
14.87 | 100. | ||
21.20 | 150. | ||
28.578 | 200. | ||
40.325 | 273.15 | ||
44.37 ± 0.24 | 298.15 | ||
44.673 | 300. | ||
59.852 | 400. | ||
72.514 | 500. | ||
82.636 | 600. | ||
90.729 | 700. | ||
97.290 | 800. | ||
102.69 | 900. | ||
107.18 | 1000. | ||
110.97 | 1100. | ||
114.17 | 1200. | ||
116.90 | 1300. | ||
119.23 | 1400. | ||
121.25 | 1500. |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, 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
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°solid | 26.31 ± 0.53 | 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°solid | 26.23 ± 0.38 | kcal/mol | Ccb | Steele, Chirico, et al., 1990 | Δ Hfusion = 15.96±0.05 kJ/mol; ALS |
ΔfH°solid | 27.76 ± 0.34 | kcal/mol | Ccb | Coleman and Pilcher, 1966 | Author was aware that data differs from previously reported values; ALS |
ΔfH°solid | 27.0 | kcal/mol | Ccb | Bender and Farber, 1952 | ALS |
ΔfH°solid | 17.41 ± 0.62 | kcal/mol | Ccb | Richardson and Parks, 1939 | High level of uncertainty in the data; Reanalyzed by Cox and Pilcher, 1970, Original value = 16.94 kcal/mol; see Richardson, 1939; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -1683. ± 8. | kcal/mol | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
S°solid,1 bar | 51.401 | cal/mol*K | N/A | Finke, Messerly, et al., 1977 | DH |
S°solid,1 bar | 50.60 | cal/mol*K | N/A | Huffman, Parks, et al., 1931 | Extrapolation below 90 K, 65.19 J/mol*K.; DH |
Constant pressure heat capacity of solid
Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
52.65 | 298.15 | Steele, Chirico, et al., 1990 | DH |
52.729 | 298.15 | Finke, Messerly, et al., 1977 | T = 10 to 440 K.; DH |
63.91 | 343. | Rastogi and Bassi, 1964 | T = 343, 404 K.; DH |
32.19 | 298.15 | Ueberreiter and Orthmann, 1950 | T = 293 to 368 K. Equation only.; DH |
49.50 | 298.1 | Eibert, 1944 | T = 20 to 200°C, equations only, in t°C. Cp(c) = 0.2003 + 0.00306t cal/g*K (20 to 98°C); Cp(liq) = 0.292 + 0.000923t cal/g*K (98 to 200°C).; DH |
54.11 | 298.1 | Schmidt, 1941 | T = 20 to 200°C, equations only, in t°C. Cp(c) = 0.2440 + 0.002604t - 0.000011t2 cal/g*K (20 to 98°C); Cp(liq) = 0.3328 + 0.0006760t cal/g*K (98 to 200°C).; DH |
55.81 | 297.5 | Huffman, Parks, et al., 1931 | T = 93 to 304 K. Value is unsmoothed experimental datum.; DH |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, 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
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 |
---|---|---|---|---|---|
Tboil | 609.2 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
Tboil | 613.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 605.15 | K | N/A | Kirby, 1921 | Uncertainty assigned by TRC = 5. K; TRC |
Tboil | 601.15 | K | N/A | Kirby, 1921 | Uncertainty assigned by TRC = 3. K; TRC |
Tboil | 613.15 | K | N/A | Beilstein, 1919 | Uncertainty assigned by TRC = 2. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 372. ± 2. | K | AVG | N/A | Average of 32 out of 35 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 372.38 | K | N/A | Finke, Messerly, et al., 1977, 2 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; C3 - C2 and C2 - C1 are second order transitions; TRC |
Ttriple | 372.38 | K | N/A | Osborn and Douslin, 1975 | Uncertainty assigned by TRC = 0.02 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 869. ± 1. | K | N/A | Tsonopoulos and Ambrose, 1995 | |
Tc | 869.3 | K | N/A | Cheng, 1963 | Uncertainty assigned by TRC = 1. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 18.8 | kcal/mol | CGC | Zhao, Unhannanant, et al., 2008 | AC |
ΔvapH° | 18.9 ± 0.29 | kcal/mol | GC | Haftka, Parsons, et al., 2006 | Based on data from 413. to 483. K.; AC |
ΔvapH° | 18.8 | kcal/mol | CGC | Chickos, Hesse, et al., 1998 | AC |
ΔvapH° | 18.8 | kcal/mol | CGC | Chickos, Hosseini, et al., 1995 | Based on data from 403. to 453. K.; AC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 21.7 ± 0.7 | kcal/mol | AVG | N/A | Average of 12 values; Individual data points |
Reduced pressure boiling point
Tboil (K) | Pressure (atm) | Reference | Comment |
---|---|---|---|
485.7 | 0.016 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
20.851 | 350. | N/A | Torres-Gomez, Barreiro-Rodriguez, et al., 1988 | DH |
17.3 | 398. | GC | Lei, Chankalal, et al., 2002 | Based on data from 323. to 473. K.; AC |
17.0 | 398. | GC | Hinckley, Bidleman, et al., 1990 | Based on data from 343. to 453. K.; AC |
13.9 | 406. | A | Stephenson and Malanowski, 1987 | Based on data from 391. to 613. K.; AC |
16.6 | 388. | A | Stephenson and Malanowski, 1987 | Based on data from 373. to 423. K. See also Osborn and Douslin, 1975, 2.; AC |
17.0 | 372. | N/A | Finke, Messerly, et al., 1977 | AC |
16.7 | 390. | N/A | Finke, Messerly, et al., 1977 | AC |
16.1 | 420. | N/A | Finke, Messerly, et al., 1977 | AC |
13.7 | 548. | I | Mortimer and Murphy, 1923 | Based on data from 476. to 620. K.; AC |
14.6 | 491. | I | Mortimer and Murphy, 1923 | Based on data from 476. to 620. K. See also Boublik, Fried, et al., 1984.; AC |
14.2 | 560. | I | NELSON and SENSEMAN, 1922 | Based on data from 505. to 614. K.; AC |
14.6 | 520. | I | NELSON and SENSEMAN, 1922 | Based on data from 505. to 614. K. See also Boublik, Fried, et al., 1984.; AC |
Entropy of vaporization
ΔvapS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
59.58 | 350. | Torres-Gomez, Barreiro-Rodriguez, et al., 1988 | DH |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
373. to 423. | 4.51351 | 2428.448 | -70.96 | Osborn and Douslin, 1975, 2 | Coefficents calculated by NIST from author's data. |
476.8 to 619.9 | 4.6837 | 2673.32 | -40.7 | Mortimer and Murphy, 1923 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
21.726 | 298.15 | N/A | Torres-Gomez, Barreiro-Rodriguez, et al., 1988 | DH |
21.9 ± 0.1 | 323. | ME | Ribeiro da Silva, Monte, et al., 2006 | Based on data from 313. to 333. K.; AC |
22.7 ± 1.1 | 318. | ME | Oja and Suuberg, 1998 | Based on data from 303. to 333. K.; AC |
21.2 | 383. | GS | Nass, Lenoir, et al., 1995 | Based on data from 313. to 453. K.; AC |
20.8 ± 0.26 | 350. | DSC | Torres-Gomez, Barreiro-Rodriguez, et al., 1988 | AC |
23.0 | 335. | GS | SATO, INOMATA, et al., 1986 | Based on data from 323. to 348. K.; AC |
20. ± 0.5 | 340. | TE | Ferro, Imperatori, et al., 1983 | Based on data from 317. to 362. K.; AC |
22.7 ± 0.1 | 303. | GS | Sonnefeld, Zoller, et al., 1983 | Based on data from 283. to 323. K.; AC |
20.8 | 345. | GS | Macknick and Prausnitz, 1979 | Based on data from 325. to 364. K.; AC |
20.8 | 372. | B | Osborn and Douslin, 1975, 2 | AC |
20.1 ± 0.60 | 297. | TE | Budurov, 1960 | Based on data from 279. to 315. K.; AC |
22.9 | 303. | N/A | Hoyer and Peperle, 1958 | Based on data from 273. to 333. K. See also Cox and Pilcher, 1970, 2.; AC |
22.90 ± 0.70 | 213. | V | Hoyer and Peperle, 1958, 2 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = 22.2 kcal/mol; ALS |
20.7 | 310. to 323. | N/A | Bradley and Cleasby, 1953 | See also Cox and Pilcher, 1970, 2.; AC |
20.700 | 309.7 | V | Bradley and Cleasby, 1953, 2 | ALS |
21.7 ± 0.29 | 315. | ME | Inokuchi, Shiba, et al., 1952 | AC |
19.5 | 323. | ME | Inokuchi, 1951 | AC |
20.1 | 293. | V | Magnus, Hartmann, et al., 1951 | ALS |
20.1 ± 0.2 | 313. | N/A | Wolf and Weghofer, 1938 | AC |
20.1 ± 0.2 | 323. | V | Wolf and Weghofer, 1938, 2 | ALS |
Entropy of sublimation
ΔsubS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
72.87 | 298.15 | Torres-Gomez, Barreiro-Rodriguez, et al., 1988 | DH |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
3.7572 | 373.81 | N/A | Sabbah and El Watik, 1992 | DH |
4.4520 | (373.) | N/A | Rai, Singh, et al., 1987 | DH |
4.3021 | 373.2 | N/A | Rastogi and Bassi, 1964 | DH |
3.97 | 367.6 | DSC | Rojas and Orozco, 2003 | Based on data from 353. to 383. K.; AC |
3.87 | 372.9 | DSC | Lisicki and Jamróz, 2000 | AC |
3.934 | 372.4 | N/A | Domalski and Hearing, 1996 | AC |
4.0989 | 371.4 | N/A | Eibert, 1944 | DH |
4.0961 | 371.7 | N/A | Schmidt, 1941 | DH |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
11.9 | (373.) | Rai, Singh, et al., 1987 | DH |
11.5 | 373.2 | Rastogi and Bassi, 1964 | DH |
11.0 | 371.4 | Eibert, 1944 | DH |
11.0 | 371.7 | Schmidt, 1941 | DH |
Temperature of phase transition
Ttrs (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|
~270. | crystaline, III | crystaline, II | Finke, Messerly, et al., 1977 | Second-order glass-type transition.; DH |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.2390 | 332.2 | crystaline, II | crystaline, I | Petropavlov, Tsygankova, et al., 1988 | DH |
0.0521 | 347.5 | crystaline, II | crystaline, I | Finke, Messerly, et al., 1977 | Lambda transition.; DH |
3.93470 | 372.38 | crystaline, I | liquid | Finke, Messerly, et al., 1977 | DH |
0.6214 | 342. | crystaline, II | crystaline, I | Ueberreiter and Orthmann, 1950 | DH |
4.4503 | 373. | crystaline, I | liquid | Ueberreiter and Orthmann, 1950 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.72 | 332.2 | crystaline, II | crystaline, I | Petropavlov, Tsygankova, et al., 1988 | DH |
0.15 | 347.5 | crystaline, II | crystaline, I | Finke, Messerly, et al., 1977 | Lambda; DH |
10.57 | 372.38 | crystaline, I | liquid | Finke, Messerly, et al., 1977 | DH |
1.8 | 342. | crystaline, II | crystaline, I | Ueberreiter and Orthmann, 1950 | DH |
11.9 | 373. | crystaline, I | liquid | Ueberreiter and Orthmann, 1950 | DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering data, 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
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: C14H10+ + C14H10 = (C14H10+ • C14H10)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.8 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1980 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28. | cal/mol*K | N/A | Meot-Ner (Mautner), 1980 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
8.8 | 320. | PHPMS | Meot-Ner (Mautner), 1980 | gas phase; Entropy change calculated or estimated; M |
By formula: C14H11+ + C14H10 = (C14H11+ • C14H10)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.7 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1980 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28. | cal/mol*K | N/A | Meot-Ner (Mautner), 1980 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.7 | 320. | PHPMS | Meot-Ner (Mautner), 1980 | gas phase; Entropy change calculated or estimated; M |
By formula: 7H2 + C14H10 = C14H24
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -135. | kcal/mol | Eqk | Frye, 1962 | gas phase; ALS |
By formula: 2H2 + C14H10 = C14H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -30. | kcal/mol | Eqk | Frye, 1962 | gas phase; ALS |
By formula: 4H2 + C14H10 = C14H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -60. | kcal/mol | Eqk | Frye, 1962 | gas phase; ALS |
By formula: H2 + C14H10 = C14H12
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -12. | kcal/mol | Eqk | Frye, 1962 | gas phase; ALS |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, 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)
LL - Sharon G. Lias and Joel F. Liebman
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 C14H10+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 7.891 ± 0.001 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 197.3 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 190.0 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
-0.01 ± 0.040 | LPES | Tschurl, Boesl, et al., 2006 | Extrapolated from EAs of (H2O)n..phenanthrene-.; B |
<0.269 ± 0.035 | ECD | Wojnarovits and Foldiak, 1981 | EA is an upper limit: Chen and Wentworth, 1989. G3MP2B3 calculations indicate an EA of ca. -0.05 eV, unbound anion; B |
0.3070 ± 0.0070 | ECD | Becker and Chen, 1966 | B |
0.2 | ECD | Wentworth and Becker, 1962 | B |
Proton affinity at 298K
Proton affinity (kcal/mol) | Reference | Comment |
---|---|---|
196.0 | Aue, Guidoni, et al., 2000 | Experimental literature data re-evaluated by the authors using ab initio protonation entropies; MM |
Gas basicity at 298K
Gas basicity (review) (kcal/mol) | Reference | Comment |
---|---|---|
189.7 | Aue, Guidoni, et al., 2000 | Experimental literature data re-evaluated by the authors using ab initio protonation entropies; MM |
Ionization energy determinations
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C6H4+ | 29. ± 1. | ? | EI | Nounou, 1968 | RDSH |
C9H7+ | 23.9 ± 0.2 | ? | EI | Nounou, 1968 | RDSH |
C10H6+ | 20.8 ± 0.3 | 2C2H2 | EI | Nounou, 1968 | RDSH |
C10H6+ | 20.9 ± 0.3 | 2C2H2 | EI | Natalis and Franklin, 1965 | RDSH |
C11H7+ | 21.1 ± 0.2 | ? | EI | Nounou, 1968 | RDSH |
C11H7+ | 21.1 ± 0.3 | ? | EI | Natalis and Franklin, 1965 | RDSH |
C12H7+ | 18.8 ± 0.1 | ? | EI | Nounou, 1968 | RDSH |
C12H7+ | 19.63 ± 0.05 | ? | EI | Natalis and Franklin, 1965 | RDSH |
C12H8+ | 11.23 | C2H2 | EVAL | Gotkis, Oleinikova, et al., 1993 | T = 0K; LL |
C12H8+ | 14.46 | C2H2 | TRPI | Gotkis, Oleinikova, et al., 1993 | LL |
C12H8+ | 15.7 ± 0.2 | ? | EI | Nounou, 1968 | RDSH |
C12H8+ | 16.63 ± 0.05 | ? | EI | Natalis and Franklin, 1965 | RDSH |
C13H7+ | 20.0 ± 0.3 | ? | EI | Nounou, 1968 | RDSH |
C14H7+ | 18.2 ± 0.2 | H2+H | EI | Nounou, 1968 | RDSH |
C14H8+ | 16.2 ± 0.2 | H2 | EI | Nounou, 1968 | RDSH |
C14H8+ | 18.6 ± 0.1 | H2 | EI | Natalis and Franklin, 1965 | RDSH |
C14H9+ | 11.99 | H | EVAL | Gotkis, Oleinikova, et al., 1993 | T = 0K; LL |
C14H9+ | 14.88 | H | TRPI | Gotkis, Oleinikova, et al., 1993 | LL |
C14H9+ | 15.5 ± 0.1 | H | EI | Nounou, 1968 | RDSH |
C14H9+ | 16.3 ± 0.1 | H | 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, Gas phase ion energetics data, 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: C14H10+ + C14H10 = (C14H10+ • C14H10)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.8 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1980 | gas phase; Entropy change calculated or estimated |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28. | cal/mol*K | N/A | Meot-Ner (Mautner), 1980 | gas phase; Entropy change calculated or estimated |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
8.8 | 320. | PHPMS | Meot-Ner (Mautner), 1980 | gas phase; Entropy change calculated or estimated |
By formula: C14H11+ + C14H10 = (C14H11+ • C14H10)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.7 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1980 | gas phase; Entropy change calculated or estimated |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28. | cal/mol*K | N/A | Meot-Ner (Mautner), 1980 | gas phase; Entropy change calculated or estimated |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.7 | 320. | PHPMS | Meot-Ner (Mautner), 1980 | gas phase; Entropy change calculated or estimated |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, 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
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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. |
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Origin | NIST Mass Spectrometry Data Center, 1990. |
NIST MS number | 113931 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, 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, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy Cp,gas Constant pressure heat capacity of gas Cp,solid Constant pressure heat capacity of solid EA Electron affinity IE (evaluated) Recommended ionization energy 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 Ttrs Temperature of phase transition 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 ΔvapS Entropy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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