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, Gas phase ion energetics data, Ion clustering data, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 43.1 ± 0.7 | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
12.03 | 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 |
15.49 | 100. | ||
20.14 | 150. | ||
26.030 | 200. | ||
36.202 | 273.15 | ||
39.84 ± 0.24 | 298.15 | ||
40.105 | 300. | ||
53.903 | 400. | ||
65.397 | 500. | ||
74.517 | 600. | ||
81.773 | 700. | ||
87.655 | 800. | ||
92.512 | 900. | ||
96.573 | 1000. | ||
100.00 | 1100. | ||
102.93 | 1200. | ||
105.43 | 1300. | ||
107.57 | 1400. | ||
109.43 | 1500. |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Ion clustering data, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
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) | 194.5 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 187.1 | kcal/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 (kcal/mol) | Reference | Comment |
---|---|---|
193.3 | 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 |
---|---|---|
186.6 | 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, Gas phase ion energetics data, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: 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° | 13.5 | 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 |
---|---|---|---|---|
5.2 | 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° | 13.4 | 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 |
---|---|---|---|---|
5.5 | 279. | PHPMS | Meot-Ner (Mautner), 1980 | gas phase; Entropy change calculated or estimated |
Gas Chromatography
Go To: Top, Gas phase 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
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | OV-1 | 150. | 1369. | Zhang, Chen, et al., 1997 | 25. m/0.2 mm/0.33 μm, N2 |
Capillary | OV-1 | 150. | 1369. | Zhang, Chen, et al., 1997 | 25. m/0.2 mm/0.33 μm, N2 |
Capillary | OV-1 | 150. | 1370. | Zhang, Chen, et al., 1997 | 25. m/0.2 mm/0.33 μm, N2 |
Capillary | OV-1 | 160. | 1378. | Zhang, Chen, et al., 1997 | 25. m/0.2 mm/0.33 μm, N2 |
Capillary | SE-33 | 120. | 1353. | Juvancz, Cserháti, et al., 1994 | 10. m/0.20 mm/0.15 μm, H2 |
Capillary | HP-1 | 100. | 1340. | Zhang, Li, et al., 1992 | N2; Column length: 25. m; Column diameter: 0.20 mm |
Capillary | HP-1 | 100. | 1340. | Zhang, Li, et al., 1992 | N2; Column length: 25. m; Column diameter: 0.20 mm |
Capillary | SE-54 | 120. | 1382. | Juvancz, Pulsipher, et al., 1989 | 10. m/0.20 mm/0.15 μm, He |
Capillary | Methyl Silicone | 125. | 1351. | Bemgård, Blomberg, et al., 1987 | Column diameter: 0.32 mm; Phase thickness: 0.25 μm |
Capillary | Methyl Silicone | 125. | 1351. | Bemgård, Blomberg, et al., 1987 | Column diameter: 0.32 mm; Phase thickness: 0.25 μm |
Capillary | Methyl Silicone | 125. | 1351. | Bemgård, Blomberg, et al., 1987 | Column diameter: 0.32 mm; Phase thickness: 0.25 μm |
Capillary | Methyl Silicone | 125. | 1352. | Bemgård, Blomberg, et al., 1987 | Column diameter: 0.32 mm; Phase thickness: 0.25 μm |
Capillary | Methyl Silicone | 125. | 1352. | Bemgård, Blomberg, et al., 1987 | Column diameter: 0.32 mm; Phase thickness: 0.25 μm |
Capillary | Methyl Silicone | 125. | 1352. | Bemgård, Blomberg, et al., 1987 | Column diameter: 0.32 mm; Phase thickness: 0.25 μm |
Capillary | Methyl Silicone | 125. | 1352. | Bemgård, Blomberg, et al., 1987 | Column diameter: 0.32 mm; Phase thickness: 0.25 μm |
Capillary | Methyl Silicone | 125. | 1352. | Bemgård, Blomberg, et al., 1987 | Column diameter: 0.32 mm; Phase thickness: 0.25 μm |
Capillary | Methyl Silicone | 125. | 1352. | Bemgård, Blomberg, et al., 1987 | Column diameter: 0.32 mm; Phase thickness: 0.25 μm |
Capillary | Methyl Silicone | 125. | 1352. | Bemgård, Blomberg, et al., 1987 | Column diameter: 0.32 mm; Phase thickness: 0.25 μm |
Capillary | Methyl Silicone | 125. | 1354. | Bemgård, Blomberg, et al., 1987 | Column diameter: 0.32 mm; Phase thickness: 0.25 μm |
Capillary | SE-30 | 180. | 1387. | Korhonen and Lind, 1985 | N2; Column length: 25. m; Column diameter: 0.33 mm |
Capillary | SE-30 | 130. | 1359. | Bredael, 1982 | Column length: 100. m; Column diameter: 0.5 mm |
Capillary | OV-101 | 140. | 1366.3 | Gerasimenko, Kirilenko, et al., 1981 | N2; Column length: 50. m; Column diameter: 0.3 mm |
Capillary | OV-101 | 160. | 1377.9 | Gerasimenko, Kirilenko, et al., 1981 | N2; Column length: 50. m; Column diameter: 0.3 mm |
Packed | OV-101 | 200. | 1396. | Albro, Haseman, et al., 1977 | Chromosorb W HP (80-100 mesh); Column length: 3. m |
Packed | SE-30 | 150. | 1373. | Shlyakhov, Anvaer, et al., 1975 | |
Packed | SE-30 | 200. | 1405. | Shlyakhov, Anvaer, et al., 1975 | |
Packed | Polymethylsiloxane, (PMS-20000) | 50. | 1398.7 | Ainshtein and Shulyatieva, 1972 | He, Chromosorb W; Column length: 2. m |
Packed | SE-30 | 130. | 1354. | Antheaume and Guiochon, 1965 | |
Packed | SE-30 | 170. | 1380. | Antheaume and Guiochon, 1965 | |
Packed | SE-30 | 184. | 1399. | Antheaume and Guiochon, 1965 | |
Packed | Methyl Silicone | 130. | 1354. | Antheaume and Guiochon, 1965 |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-1 | 1345. | Takeoka, Buttery, et al., 1992 | 60. m/0.32 mm/0.25 μm, He, 30. C @ 4. min, 2. K/min; Tend: 210. C |
Capillary | DB-1 | 1346. | Takeoka, Buttery, et al., 1992 | 60. m/0.32 mm/0.25 μm, He, 30. C @ 4. min, 2. K/min; Tend: 210. C |
Capillary | DB-1 | 1349. | Takeoka, Buttery, et al., 1992 | 60. m/0.32 mm/0.25 μm, He, 30. C @ 4. min, 2. K/min; Tend: 210. C |
Capillary | OV-101 | 1350. | Hayes and Pitzer, 1982 | 110. m/0.25 mm/0.20 μm, He, 1. K/min; Tstart: 35. C; Tend: 200. C |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Packed | SE-30 | 1389. | Ramsey, Lee, et al., 1980 | He, Chromosorb G HP (80-100 mesh); Column length: 1.5 m; Program: not specified |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | SP-1000 | 200. | 2029. | Kríz, Popl, et al., 1974 | N2; Column length: 50. m; Column diameter: 0.25 mm |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 1377.3 | Song, Lai, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 1375.4 | Song, Lai, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 4. K/min; Tend: 310. C |
Capillary | DB-5 | 1368.5 | Song, Lai, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 1377.3 | Song, Lai, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 1381.8 | Song, Lai, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 6. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-1 | 1338.4 | Sun and Stremple, 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 325. C |
Capillary | OV-1 | 1392.2 | Zhang, Shen, et al., 2000 | 25. m/0.2 mm/0.33 μm, 5. K/min; Tstart: 100. C; Tend: 180. C |
Capillary | HP-5MS | 1387. | Nahir, 1999 | 30. m/0.25 mm/0.25 μm, 10. K/min; Tstart: 50. C; Tend: 300. C |
Capillary | DB-5 | 1368.5 | Lai and Song, 1995 | 30. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 1377.3 | Lai and Song, 1995 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 1381.8 | Lai and Song, 1995 | 30. m/0.25 mm/0.25 μm, He, 6. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 1375.4 | Lai and Song, 1995 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 4. K/min; Tend: 310. C |
Capillary | DB-5 | 1381. | Gómez, Ledbetter, et al., 1993 | He, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 250. C |
Capillary | SP-2100 | 1375.78 | Podmaniczky, Szepesy, et al., 1986 | H2, 2. K/min; Tstart: 170. C |
Capillary | SP-2100 | 1377.20 | Podmaniczky, Szepesy, et al., 1986 | H2, 4. K/min; Tstart: 170. C |
Capillary | SP-2100 | 1377.91 | Podmaniczky, Szepesy, et al., 1986 | H2, 6. K/min; Tstart: 170. C |
Capillary | SP-2100 | 1396.81 | Podmaniczky, Szepesy, et al., 1986 | H2, 2. K/min; Tstart: 170. C |
Capillary | SP-2100 | 1392. | Podmaniczky, Szepesy, et al., 1986 | H2, 4. K/min; Tstart: 170. C |
Capillary | SP-2100 | 1392.64 | Podmaniczky, Szepesy, et al., 1986 | H2, 6. K/min; Tstart: 170. C |
Capillary | CP Sil 5 CB | 1390.72 | Podmaniczky, Szepesy, et al., 1986 | H2, 4. K/min; Tstart: 170. C |
Capillary | DB-5 | 1384. | Rostad and Pereira, 1986 | 30. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min |
Capillary | SE-30 | 1374. | Korhonen and Lind, 1985 | N2, 10. K/min; Column length: 25. m; Column diameter: 0.33 mm; Tstart: 100. C; Tend: 320. C |
Capillary | SE-30 | 1378. | Korhonen and Lind, 1985 | N2, 6. K/min; Column length: 25. m; Column diameter: 0.33 mm; Tstart: 140. C; Tend: 320. C |
Capillary | Methyl Silicone | 1349. | Kozloski, 1985 | He, 5. K/min; Column length: 10. m; Column diameter: 0.21 mm; Tstart: 60. C; Tend: 210. C |
Capillary | OV-101 | 1350. | Hayes and Pitzer, 1981 | 108. m/0.25 mm/0.2 μm, 1. K/min; Tstart: 35. C; Tend: 200. C |
Capillary | SE-52 | 1364. | Beernaert, 1979 | He, 50. C @ 5. min, 6. K/min; Column length: 33.3 m; Column diameter: 0.50 mm; Tend: 320. C |
Capillary | SE-52 | 1373. | Carugno and Rossi, 1967 | N2, 1.8 K/min; Column length: 65. m; Column diameter: 0.3 mm; Tstart: 100. C; Tend: 300. C |
Capillary | SE-52 | 1362. | Cantuti, Cartoni, et al., 1965 | N2, 2.5 K/min; Column length: 50. m; Tstart: 100. C; Tend: 300. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 1397. | Havenga and Rohwer, 1999 | 30. m/0.25 mm/0.25 μm, He; Program: 60 0C 7 0C/min -> 130 0C 5 0C/min -> 200 0C 6 0C/min -> 260 0C 20 0C/min -> 320 0C (4 min) |
Capillary | 5 % Phenyl methyl siloxane | 1371. | Yasuhara, Shiraishi, et al., 1997 | 25. m/0.31 mm/0.52 μm, He; Program: 50C(2min) => (20C/min) => 120C => (7C/min) => 310C(10min) |
Packed | SE-30 | 1375. | Peng, Ding, et al., 1988 | Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Supelcowax-10 | 1996. | Chung, Yung, et al., 2002 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min |
Capillary | HP-Innowax | 2016. | Adamiec, Rossner, et al., 2001 | 30. m/0.25 mm/0.25 μm, N2, 5. K/min; Tstart: 60. C; Tend: 220. C |
Capillary | Supelcowax-10 | 1996. | Chung, Yung, et al., 2001 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | OV-101 | 120. | 1366. | Nabivach and Gerasimenko, 1996 | |
Capillary | Polidimethyl siloxane | 130. | 1360. | Nabivach and Gerasimenko, 1996 | |
Capillary | Polidimethyl siloxane | 130. | 1360. | Nabivach and Gerasimenko, 1996 | |
Capillary | SE-30 | 200. | 1408. | Korhonen and Lind, 1985 | N2; Column length: 25. m; Column diameter: 0.33 mm |
Packed | Polydimethyl siloxane | 147. | 1368. | Ferrand, 1962 | |
Packed | Polydimethyl siloxane | 183. | 1396. | Ferrand, 1962 |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 MS | 1384. | Radulovic, Blagojevic, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C |
Capillary | HP-5 | 1385.3 | Leffingwell and Alford, 2005 | 60. m/0.32 mm/0.25 μm, He, 30. C @ 2. min, 2. K/min, 260. C @ 28. min |
Capillary | HP-5 | 1379. | Zenkevich, Moeder, et al., 2004 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 3. min, 3. K/min, 280. C @ 20. min |
Capillary | BP-1 | 1388. | Health Safety Executive, 2000 | 50. m/0.22 mm/0.75 μm, He, 5. K/min; Tstart: 50. C; Tend: 200. C |
Capillary | HP-5 | 1380. | Miao and Wu, 1999 | 30. m/0.32 mm/0.25 μm, 50. C @ 2. min, 5. K/min; Tend: 310. C |
Capillary | HP-5 | 1380. | Miao and Wu, 1999 | 30. m/0.32 mm/0.25 μm, 50. C @ 2. min, 5. K/min; Tend: 310. C |
Capillary | HP-5 | 1381. | Miao and Wu, 1999 | 30. m/0.32 mm/0.25 μm, 50. C @ 2. min, 5. K/min; Tend: 310. C |
Capillary | HP-5 | 1381. | Miao and Wu, 1999 | 30. m/0.32 mm/0.25 μm, 50. C @ 2. min, 5. K/min; Tend: 310. C |
Capillary | HP-5 | 1381. | Miao and Wu, 1999 | 30. m/0.32 mm/0.25 μm, 50. C @ 2. min, 5. K/min; Tend: 310. C |
Capillary | HP-5 | 1382. | Miao and Wu, 1999 | 30. m/0.32 mm/0.25 μm, 50. C @ 2. min, 5. K/min; Tend: 310. C |
Capillary | HP-5 | 1385. | Miao and Wu, 1999 | 30. m/0.32 mm/0.25 μm, 50. C @ 2. min, 5. K/min; Tend: 310. C |
Capillary | HP-5 | 1385. | Miao and Wu, 1999 | 30. m/0.32 mm/0.25 μm, 50. C @ 2. min, 5. K/min; Tend: 310. C |
Capillary | Ultra-1 | 1354. | Elizalde-González, Hutfliess, et al., 1996 | 50. m/0.2 mm/0.33 μm, H2, 3. K/min, 300. C @ 35. min; Tstart: 60. C |
Capillary | PB-1 | 1356. | Andersson and Weis, 1994 | 50. m/0.32 mm/0.2 μm, H2, 80. C @ 2. min, 4. K/min, 270. C @ 5. min |
Capillary | DB-5 | 1356. | Andersson and Weis, 1994 | 30. m/0.32 mm/0.25 μm, H2, 80. C @ 2. min, 4. K/min, 270. C @ 5. min |
Capillary | Ultra-1 | 1342. | Okumura, 1991 | 25. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 80. C; Tend: 260. C |
Capillary | OV-101 | 1358. | Zenkevich and Tsibulskaya, 1989 | Helium, 75. C @ 0. min, 6. K/min, 220. C @ 0. min; Column length: 54. m; Column diameter: 0.26 mm |
Capillary | OV-101 | 1366. | Zenkevich and Tsibulskaya, 1989 | Helium, 75. C @ 0. min, 6. K/min, 220. C @ 0. min; Column length: 54. m; Column diameter: 0.26 mm |
Capillary | SE-30 | 1345. | Ibrahim and Suffet, 1988 | N2, 50. C @ 8. min, 5. K/min, 275. C @ 10. min; Column length: 60. m; Column diameter: 0.32 mm |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SLB-5 MS | 1380. | Mondello, 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | SLB-5 MS | 1391. | Mondello, 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | Polydimethyl siloxane with 5 % Ph groups | 1385. | Robinson, Adams, et al., 2012 | Program: not specified |
Capillary | Polydimethyl siloxane with 5 % Ph groups | 1394. | Robinson, Adams, et al., 2012 | Program: not specified |
Capillary | SE-30 | 1369. | Vinogradov, 2004 | Program: not specified |
Capillary | DB-1 | 1375. | Peng, 1996 | 30. m/0.53 mm/1.5 μm; Program: 40 0C (4 min) 8 0C/min -> 200 0C (1 min) 5 0C/min -> 280 0C (20 min) |
Capillary | Methyl Silicone | 1356. | Zenkevich, 1994 | Program: not specified |
Capillary | Polydimethyl siloxane, unknown content of Ph-groups | 1384. | Geldon, 1989 | Program: not specified |
Capillary | Polydimethyl siloxane, unknown content of Ph-groups | 1384. | Geldon, 1989 | Program: not specified |
Capillary | SE-30 | 1368. | Ibrahim and Suffet, 1988 | N2; Column length: 60. m; Column diameter: 0.32 mm; Program: 50C(8min) => 3C/min => 150C => 35C/min => 275C (10min) |
Capillary | OV-101 | 1369. | Shibamoto, 1987 | Program: not specified |
Capillary | Apolane | 1362. | Bush, Murphy, et al., 1985 | He; Column length: 50. m; Column diameter: 0.25 mm; Program: 70 0C (2 min) 10 0C/min (6 min) 2 0C/min -> 250 0C |
Capillary | Apolane | 1362. | Bush, Murphy, et al., 1985 | He; Column length: 50. m; Column diameter: 0.25 mm; Program: 70 0C (2 min) 10 0C/min (6 min) 2 0C/min -> 250 0C |
Capillary | OV-1 | 1348. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1342. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1343. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1349. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1350. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1389. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Other | Methyl Silicone | 1389. | Ardrey and Moffat, 1981 | Program: not specified |
Normal alkane RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | PEG-40M | 180. | 2030. | Roshchupkina, Pimerzin, et al., 1987 |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1981. | Morales, Albarracín, et al., 1996 | 30. m/0.25 mm/0.25 μm, He, 20. C @ 4. min, 4. K/min, 200. C @ 10. min |
Capillary | DB-Wax | 1967. | Morales, Albarracín, et al., 1996 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 200. C @ 10. min |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Supelcowax-10 | 2012. | Vichi, Guadayol, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(3min) => 4C/min => 75C => 8C/min => 250C(5min) |
Capillary | Carbowax 20M | 1981. | Vinogradov, 2004 | Program: not specified |
Capillary | DB-Wax | 1974. | Peng, 1996 | 30. m/0.53 mm/1.0 μm; Program: 40 0C (4 min) 4 0C/min -> 200 0C (20 min) |
Capillary | DB-Wax | 1974. | Peng, Yang, et al., 1991 | Program: not specified |
Capillary | Carbowax 20M | 1981. | Shibamoto, 1987 | Program: not specified |
Lee's RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 245.8 | Wang, Hou, et al., 2007 | 30. m/0.30 mm/0.25 μm, Helium, 50. C @ 5. min, 5. K/min, 200. C @ 15. min |
Capillary | HP-5 | 237.7 | Shao, Wang, et al., 2006 | 30. m/0.3 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min, 200. C @ 15. min |
Capillary | HP-5 | 236.39 | Marynowski, Pieta, et al., 2004 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 35. C; Tend: 300. C |
Capillary | HP-5 | 236.39 | Marynowski, Pieta, et al., 2004 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 35. C; Tend: 300. C |
Capillary | DB-5MS | 236.34 | Chen, Keeran, et al., 2002 | 30. m/0.25 mm/0.5 μm, 40. C @ 1. min, 10. K/min; Tend: 310. C |
Capillary | PTE-5 | 235.88 | Wang, Jia, et al., 2000 | 30. m/0.25 mm/0.25 μm, 60. C @ 1.5 min, 8. K/min, 300. C @ 12.5 min |
Capillary | HP-5 | 236.15 | Miao and Wu, 1999 | 50. C @ 2. min, 5. K/min; Tend: 310. C |
Capillary | HP-5 | 236.19 | Miao and Wu, 1999 | 50. C @ 2. min, 5. K/min; Tend: 310. C |
Capillary | HP-5 | 236.26 | Miao and Wu, 1999 | 50. C @ 2. min, 5. K/min; Tend: 310. C |
Capillary | HP-5 | 236.32 | Miao and Wu, 1999 | 50. C @ 2. min, 5. K/min; Tend: 310. C |
Capillary | HP-5 | 236.87 | Miao and Wu, 1999 | 50. C @ 2. min, 5. K/min; Tend: 310. C |
Capillary | HP-5 | 236.92 | Miao and Wu, 1999 | 50. C @ 2. min, 5. K/min; Tend: 310. C |
Capillary | HP-5 | 237.02 | Miao and Wu, 1999 | 50. C @ 2. min, 5. K/min; Tend: 310. C |
Capillary | HP-5 | 237.04 | Miao and Wu, 1999 | 50. C @ 2. min, 5. K/min; Tend: 310. C |
Capillary | HP-5 | 236.28 | Piao, Chu, et al., 1999 | 30. m/0.25 mm/0.25 μm, 50. C @ 2. min, 4. K/min, 280. C @ 20. min |
Capillary | HP-5 | 236.48 | Piao, Chu, et al., 1999 | 30. m/0.25 mm/0.25 μm, 50. C @ 2. min, 4. K/min, 280. C @ 20. min |
Capillary | DB-5 | 231.1 | Durlak, Biswas, et al., 1998 | 30. m/0.25 mm/0.25 μm, 15. K/min; Tstart: 50. C; Tend: 300. C |
Capillary | DB-5 | 235.6 | Durlak, Biswas, et al., 1998 | 30. m/0.25 mm/0.25 μm, 15. K/min; Tstart: 50. C; Tend: 300. C |
Capillary | SE-52 | 233.57 | Wang, Peng, et al., 1997 | 4. K/min; Column length: 30. m; Column diameter: 0.30 mm; Tstart: 40. C; Tend: 250. C |
Capillary | SE-54 | 234.13 | Chen, 1996 | 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 300. C |
Capillary | DB-5 | 235.55 | Williams and Horne, 1995 | He, 60. C @ 2. min, 5. K/min; Column length: 25. m; Column diameter: 0.3 mm; Tend: 270. C |
Capillary | PB-1 | 233.78 | Andersson and Weis, 1994 | 50. m/0.32 mm/0.2 μm, H2, 80. C @ 2. min, 4. K/min, 270. C @ 5. min |
Capillary | DB-5 | 233.46 | Andersson and Weis, 1994 | 30. m/0.32 mm/0.25 μm, H2, 80. C @ 2. min, 4. K/min, 270. C @ 5. min |
Capillary | DB-5 | 236.40 | Wang, Fingas, et al., 1994 | 30. m/0.32 mm/0.25 μm, He, 50. C @ 2. min, 6. K/min; Tend: 300. C |
Capillary | SPB-5 | 236.2 | Knobloch and Engewald, 1993 | 40. C @ 2. min, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 300. C |
Capillary | CP Sil 8 CB | 236.0 | Bundt, Herbel, et al., 1991 | 50. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 80. C; Tend: 300. C |
Capillary | SE-54 | 235.63 | Guillén, Blanco, et al., 1989 | 20. m/0.22 mm/0.20 μm, He, 4. K/min; Tstart: 50. C; Tend: 300. C |
Capillary | DB-5 | 232.74 | Sye, Lin, et al., 1988 | 30. m/0.32 mm/0.25 μm, 80. C @ 1. min, 3. K/min; Tend: 290. C |
Capillary | DB-5 | 236.39 | Wise, Benner, et al., 1988 | 30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 4. K/min, 280. C @ 5. min |
Capillary | SE-52 | 233.96 | Boenke and Ballschmiter, 1987 | Hydrogen, 3. K/min; Column length: 12. m; Tstart: 120. C; Tend: 285. C |
Capillary | DB-5 | 236.59 | Rostad and Pereira, 1986 | 30. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min |
Capillary | DB-5 | 234.05 | Tong, Centen, et al., 1985 | He, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 90. C; Tend: 325. C |
Capillary | DB-5 | 230.795 | Tong, Shore, et al., 1984 | He, 80. C @ 1. min, 3. K/min, 300. C @ 10. min; Column length: 30. m; Column diameter: 0.32 mm |
Capillary | DB-5 | 229.8 | Viau, Studak, et al., 1984 | Helium, 4. K/min; Column length: 30. m; Column diameter: 0.32 mm; Tstart: 90. C; Tend: 250. C |
Capillary | SE-52 | 236.44 | Vassilaros, Kong, et al., 1982 | 20. m/0.30 mm/0.25 μm, H2, 40. C @ 2. min, 4. K/min; Tend: 265. C |
Capillary | SE-52 | 233.96 | Lee, Vassilaros, et al., 1979 | 12. m/0.3 mm/0.34 μm, He, 2. K/min; Tstart: 50. C; Tend: 250. C |
Lee's RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 236.6 | Fuentes, Font, et al., 2007 | Column length: 60. m; Program: not specified |
Capillary | HP-5MS | 236.56 | Wang, Li, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 60C(2min) => 6C/min => 258C => 2C/min => 300C(4min) |
Capillary | HP-5MS | 236.39 | Wang, Li, et al., 2007, 2 | 30. m/0.25 mm/0.25 μm, He; Program: not specified |
Capillary | HP-5MS | 236.56 | Wang, Li, et al., 2007, 2 | 30. m/0.25 mm/0.25 μm, He; Program: not specified |
Capillary | DB-5MS | 235.5 | Aracil, Font, et al., 2005 | Column length: 60. m; Column diameter: 0.25 mm; Program: not specified |
Capillary | HP-5MS | 240.35 | Cheng, Liu, et al., 2005 | 30. m/0.30 mm/0.25 μm, He; Program: 50 0C (2 min) 8 0C/min -> 120 0C (3 min) 10 0C/min -> 230 0C |
Capillary | LM-5 | 229.33 | Ré-Poppi and Santiago-Silva, 2005 | 30. m/0.25 mm/0.25 μm, He; Program: 60C(2min) => 15C/min => 180C => 5C/min => 280C (10min) |
Capillary | Ultra-1 | 235.0 | Sremac, Skrbic, et al., 2005 | 50. m/0.32 mm/0.50 μm, Nitrogen; Program: 40-100 0C 3-15 0C/min -> 290 0C |
Capillary | DB-5 | 235.0 | Lundstedt, Haglund, et al., 2003 | 30. m/0.25 mm/0.25 μm; Program: not specified |
Capillary | LM-5 | 229.21 | Ré-Poppi and Santiago-Silva, 2002 | 30. m/0.25 mm/0.25 μm, He; Program: 60C(2min) => 15C/min => 180C => 5C/min => 280C(5min) |
Capillary | HP-5 | 235.74 | Reckendorf, 1997 | 25. m/0.2 mm/0.11 μm, He; Program: 106C(0.2min) => 40C/min => 120C => 3C/min => 310C(10min) |
Capillary | SE-52 | 233.96 | Wang, Peng, et al., 1997 | Column length: 30. m; Column diameter: 0.30 mm; Program: not specified |
Capillary | SE-54 | 233.96 | Chen, 1996 | Column length: 30. m; Column diameter: 0.25 mm; Program: not specified |
Capillary | SE-54 | 235.51 | Guillen, Iglesias, et al., 1992 | Program: not specified |
Capillary | DB-5 | 237.3 | Paschke, Herbel, et al., 1992 | 30. m/0.25 mm/0.25 μm, He; Program: 60 0C (3 min) 10 0C/min -> 100 0C (3 min) 5 0C/min -> 300 0C |
Capillary | CP Sil 8 CB | 235.6 | Bundt, Herbel, et al., 1991 | 50. m/0.25 mm/0.25 μm, He; Program: not specified |
Capillary | CP Sil 8 CB | 236.4 | Bundt, Herbel, et al., 1991 | 50. m/0.25 mm/0.25 μm, He; Program: not specified |
Capillary | DB-5 | 232.86 | Naikwadi, Charbonneau, et al., 1987 | Column length: 30. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | DB-5 | 232.96 | Naikwadi, Charbonneau, et al., 1987 | Column length: 30. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-101 | 236.2 | Tucminen, Wickstrom, et al., 1986 | Program: not specified |
Capillary | DB-5 | 233.96 | Tong, Centen, et al., 1985 | He; Column length: 30. m; Column diameter: 0.25 mm; Program: not specified |
Lee's RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 228.73 | Andersson and Weis, 1994 | 30. m/0.2 mm/0.15 μm, H2, 80. C @ 2. min, 4. K/min, 270. C @ 5. min |
References
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Ion clustering data, Gas Chromatography, 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, Gas phase ion energetics data, Ion clustering data, Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy Cp,gas Constant pressure heat capacity of gas EA Electron affinity IE (evaluated) Recommended ionization energy T Temperature ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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