Pyrazine
- Formula: C4H4N2
- Molecular weight: 80.0880
- IUPAC Standard InChIKey: KYQCOXFCLRTKLS-UHFFFAOYSA-N
- CAS Registry Number: 290-37-9
- 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. - Other names: p-Diazine; Paradiazine; Piazine; 1,4-Diazabenzene; 1,4-Diazine
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Gas phase thermochemistry data
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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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 196.1 ± 1.5 | kJ/mol | Ccb | Tjebbes, 1962 |
Condensed phase thermochemistry data
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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 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 | 139.8 ± 1.2 | kJ/mol | Ccb | Tjebbes, 1962 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -2285.5 ± 1.2 | kJ/mol | Ccb | Tjebbes, 1962 | ALS |
Constant pressure heat capacity of solid
Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
180. | 298. | Boyd, Comper, et al., 1979 | crystaline, III phase; T = 295 to 312 K. Data graphically only.; DH |
Phase change data
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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 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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 388.7 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
Tboil | 388.65 | K | N/A | Anderson and Shimanskaya, 1969 | Uncertainty assigned by TRC = 1. K; TRC |
Tboil | 390.35 | K | N/A | Lecat, 1947 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 324. | K | N/A | Bougeard, LeCalve, et al., 1978 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.1 K; TRC |
Tfus | 320.15 | K | N/A | Bruhl, 1897 | Uncertainty assigned by TRC = 1. K; TRC |
Tfus | 334.05 | K | N/A | Bruhl, 1897 | Uncertainty assigned by TRC = 6. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 40.5 ± 1.7 | kJ/mol | CGC | Lipkind and Chickos, 2009 | Based on data from 342. to 373. K. See also Lipkind and Chickos, 2009, 2.; AC |
ΔvapH° | 56.27 ± 0.46 | kJ/mol | C | Tjebbes, 1962 | ALS |
ΔvapH° | 56.3 | kJ/mol | N/A | Tjebbes, 1962 | DRB |
Reduced pressure boiling point
Tboil (K) | Pressure (bar) | Reference | Comment |
---|---|---|---|
388.7 | 1.02 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
38.8 ± 0.1 | 340. | EB | Steele, Chirico, et al., 2002 | Based on data from 354. to 426. K.; AC |
36.5 ± 0.2 | 380. | EB | Steele, Chirico, et al., 2002 | Based on data from 354. to 426. K.; AC |
34.1 ± 0.4 | 420. | EB | Steele, Chirico, et al., 2002 | Based on data from 354. to 426. K.; AC |
37.9 | 352. | N/A | Sakoguchi, Ueoka, et al., 1995 | Based on data from 332. to 373. K.; AC |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
56.2 | 303. | Sakoguchi, Ueoka, et al., 1995 | Based on data from 288. to 317. K.; AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
14.78 | 325.4 | AC | Chirico, Knipmeyer, et al., 2003 | Based on data from 5. to 380. K.; AC |
12.95 | 328.2 | N/A | Bougeard, Calve, et al., 1978 | AC |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.969 | 300.6 | crystaline, III | crystaline, II | Boyd, Comper, et al., 1979 | DH |
0.060 | 310. | crystaline, II | crystaline, I | Boyd, Comper, et al., 1979 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
3.22 | 300.6 | crystaline, III | crystaline, II | Boyd, Comper, et al., 1979 | DH |
0.2 | 310. | crystaline, II | crystaline, I | Boyd, Comper, et al., 1979 | DH |
Reaction thermochemistry data
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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 as indicated in comments:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
RCD - Robert C. Dunbar
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
C4H3N2- + =
By formula: C4H3N2- + H+ = C4H4N2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1643. ± 10. | kJ/mol | TDEq | Meot-ner and Kafafi, 1988 | gas phase; anchored to 88MEO scale, not the "87 acidity scale". The Kiefer, Zhang, et al., 1997 BDE is for ortho.; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1604.6 ± 1.7 | kJ/mol | N/A | Wren, Vogelhuber, et al., 2012 | gas phase; B |
ΔrG° | 1603. ± 8.4 | kJ/mol | TDEq | Meot-ner and Kafafi, 1988 | gas phase; anchored to 88MEO scale, not the "87 acidity scale". The Kiefer, Zhang, et al., 1997 BDE is for ortho.; B |
By formula: 3H2 + C4H4N2 = C4H10N2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 207.2 ± 2.8 | kJ/mol | Chyd | Hafelinger and Steinmann, 1977 | liquid phase; solvent: Acetic acid; ALS |
By formula: Li+ + C4H4N2 = (Li+ • C4H4N2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 149. ± 14. | kJ/mol | CIDT | Amunugama and Rodgers, 2000 | RCD |
By formula: Na+ + C4H4N2 = (Na+ • C4H4N2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 108. ± 3. | kJ/mol | CIDT | Amunugama and Rodgers, 2000 | RCD |
By formula: K+ + C4H4N2 = (K+ • C4H4N2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 67. ± 4. | kJ/mol | CIDT | Amunugama and Rodgers, 2000 | RCD |
Gas phase ion energetics data
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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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to C4H4N2+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Proton affinity (review) | 877.1 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 847.0 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
>-0.065004 | ETS | Nenner and Schultz, 1975 | Pyrazine. EA estimated as 0.124 eV based on soln phase electrochemical correlations. G3MP2B3 calculations put EA ca. 0 eV; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.0 | PE | Piancastelli, Keller, et al., 1983 | LBLHLM |
9.28 ± 0.01 | S | Scheps, Florida, et al., 1972 | LLK |
9.29 | PE | Gleiter, Heilbronner, et al., 1972 | LLK |
9.216 | PE | Asbrink, Lindholm, et al., 1970 | RDSH |
9.28 ± 0.05 | PE | Eland, 1969 | RDSH |
9.36 | PE | Dewar and Worley, 1969 | RDSH |
9.29 ± 0.01 | PI | Yencha and El-Sayed, 1968 | RDSH |
9.29 ± 0.03 | S | Parkin and Innes, 1965 | RDSH |
9.63 | PE | Suffolk, 1974 | Vertical value; LLK |
9.63 | PE | Gleiter, Heilbronner, et al., 1970 | Vertical value; RDSH |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C3H2N+ | 15.25 ± 0.10 | ? | EI | Momigny, Urbain, et al., 1965 | RDSH |
C3H3N+ | 12.81 ± 0.10 | HCN | EI | Momigny, Urbain, et al., 1965 | RDSH |
C4H3N2+ | 13.68 ± 0.10 | H | EI | Momigny, Urbain, et al., 1965 | RDSH |
De-protonation reactions
C4H3N2- + =
By formula: C4H3N2- + H+ = C4H4N2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1643. ± 10. | kJ/mol | TDEq | Meot-ner and Kafafi, 1988 | gas phase; anchored to 88MEO scale, not the "87 acidity scale". The Kiefer, Zhang, et al., 1997 BDE is for ortho.; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1604.6 ± 1.7 | kJ/mol | N/A | Wren, Vogelhuber, et al., 2012 | gas phase; B |
ΔrG° | 1603. ± 8.4 | kJ/mol | TDEq | Meot-ner and Kafafi, 1988 | gas phase; anchored to 88MEO scale, not the "87 acidity scale". The Kiefer, Zhang, et al., 1997 BDE is for ortho.; B |
Ion clustering data
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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: Robert C. Dunbar
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: K+ + C4H4N2 = (K+ • C4H4N2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 67. ± 4. | kJ/mol | CIDT | Amunugama and Rodgers, 2000 |
By formula: Li+ + C4H4N2 = (Li+ • C4H4N2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 149. ± 14. | kJ/mol | CIDT | Amunugama and Rodgers, 2000 |
By formula: Na+ + C4H4N2 = (Na+ • C4H4N2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 108. ± 3. | kJ/mol | CIDT | Amunugama and Rodgers, 2000 |
IR Spectrum
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, 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: Coblentz Society, Inc.
Condensed Phase Spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.
Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Owner | COPYRIGHT (C) 1988 by COBLENTZ SOCIETY INC. Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | DOW CHEMICAL COMPANY |
Source reference | COBLENTZ NO. 5739 |
Date | 1965/11/12 |
State | SOLUTION (10% CCl4 FOR 2.6-7.5, 10% CS2 FOR 7.5-24 MICRON) |
Instrument | BECKMAN IR-9 (GRATING) |
Instrument parameters | ORDER CHANGES: 670, 1200, 2000 CM-1 |
Path length | 0.012 CM, 0.012 CM SPECTRAL CONTAMINATION DUE TO CS2 AROUND 400, 850 AND CCl4 AROUND 1550 CM-1 HAVE BEEN SUBTRACTED |
Resolution | 2 |
Sampling procedure | TRANSMISSION |
Data processing | DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY |
Melting point | 53 C |
Boiling point | 116 C |
Gas Chromatography
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, 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-101 | 110. | 722. | Golovnya, Kuz'menko, et al., 2000 | He; Phase thickness: 0.4 μm |
Capillary | OV-101 | 110. | 722. | Zhuravleva, 2000 | 50. m/0.3 mm/0.4 μm, He |
Capillary | OV-101 | 110. | 722. | Golovnya, Kuz'menko, et al., 1999 | 50. m/0.3 mm/0.4 μm, He |
Packed | OV-101 | 130. | 696. | Osmialowski, Halkiewicz, et al., 1985 | Ar, Chromosorb W HP; Column length: 1. m |
Packed | PMS-100 | 130. | 712. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PMS-100 | 150. | 718. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PMS-100 | 180. | 721. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | DC-200 | 120. | 715. | Reymond, Mueggler-Chavan, et al., 1966 | Celite; Column length: 4. m |
Packed | SE-30 | 120. | 740. | Viani, Müggler-Chavan, et al., 1965 | He, Chromosorb P; Column length: 6. m |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-1 | 704. | Takeoka, Perrino, et al., 1996 | 60. m/0.25 mm/0.25 μm, 30. C @ 4. min, 2. K/min; Tend: 220. C |
Capillary | DB-1 | 706. | Takeoka, Perrino, et al., 1996 | 60. m/0.25 mm/0.25 μm, 30. C @ 4. min, 2. K/min; Tend: 220. C |
Capillary | OV-101 | 718. | Shibamoto, Kamiya, et al., 1981 | N2, 1. K/min; Column length: 80. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C |
Capillary | OV-101 | 718. | Shibamoto, Kamiya, et al., 1981 | N2, 1. K/min; Column length: 80. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | PEG-40M | 110. | 1216. | Golovnya, Samusenko, et al., 1987 | He; Column length: 50. m; Column diameter: 0.3 mm |
Capillary | PEG-40M | 80. | 1206. | Golovnya, Samusenko, et al., 1987 | He; Column length: 50. m; Column diameter: 0.3 mm |
Kovats' RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1219. | Shimoda and Shibamoto, 1990 | He, 40. C @ 6. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 190. C |
Capillary | Carbowax 20M | 1196. | Shibamoto, Kamiya, et al., 1981 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C |
Capillary | Carbowax 20M | 1200. | Shibamoto, Kamiya, et al., 1981 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 734. | Methven L., Tsoukka M., et al., 2007 | 60. m/0.32 mm/1. μm, 40. C @ 2. min, 4. K/min, 260. C @ 10. min |
Capillary | BPX-5 | 740. | Bredie, Mottram, et al., 2002 | 50. m/0.32 mm/0.5 μm, 60. C @ 5. min, 4. K/min, 250. C @ 20. min |
Capillary | BPX-5 | 736. | Ames, Guy, et al., 2001 | 50. m/0.32 mm/0.5 μm, He, 60. C @ 5. min, 4. K/min, 250. C @ 10. min |
Capillary | BPX-5 | 736. | Ames, Guy, et al., 2001 | 50. m/0.32 mm/0.5 μm, He, 60. C @ 5. min, 4. K/min, 250. C @ 10. min |
Capillary | BPX-5 | 750. | Ames, Guy, et al., 2001, 2 | 50. m/0.32 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min, 250. C @ 10. min |
Capillary | CP Sil 8 CB | 739. | Elmore, Mottram, et al., 2000 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 280. C |
Capillary | DB-1 | 711. | Bartelt, 1997 | 30. m/0.32 mm/5. μm, He, 35. C @ 1. min, 10. K/min; Tend: 270. C |
Capillary | DB-1 | 707. | DeMilo, Lee, et al., 1996 | 30. m/0.248 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min; Tend: 250. C |
Capillary | DB-1 | 707. | DeMilo, Lee, et al., 1996 | 30. m/0.248 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min; Tend: 250. C |
Capillary | DB-1 | 707. | DeMilo, Lee, et al., 1996 | 30. m/0.248 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min; Tend: 250. C |
Capillary | SE-30 | 710. | Misharina and Golovnya, 1996 | 50. m/0.32 mm/0.25 μm, 4. K/min; Tstart: 50. C; Tend: 250. C |
Capillary | SE-30 | 702. | Misharina, Golovnya, et al., 1994 | 50. m/0.32 mm/0.25 μm, He, 8. K/min; Tstart: 50. C; Tend: 250. C |
Capillary | HP-1 | 734. | Oh, Hartman, et al., 1992 | 50. m/0.32 mm/1.05 μm, He, 2. K/min, 260. C @ 10. min; Tstart: 40. C |
Capillary | HP-1 | 706. | Zhang, Dorjpalam, et al., 1992 | 50. m/0.32 mm/1.5 μm, 2. K/min, 220. C @ 30. min; Tstart: 40. C |
Capillary | OV-101 | 713.1 | Golovnya, Samusenko, et al., 1991 | He, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 100. C |
Capillary | OV-101 | 710.3 | Golovnya, Samusenko, et al., 1991 | He, 8. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 70. C |
Capillary | OV-101 | 710.6 | Golovnya, Samusenko, et al., 1991 | He, 4. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C |
Capillary | DB-1 | 710. | Izzo and Ho, 1991 | 50. m/0.32 mm/1.05 μm, He, 2. K/min, 260. C @ 40. min; Tstart: 40. C |
Capillary | SE-30 | 703. | Misharina, Golovnya, et al., 1991 | 50. m/0.32 mm/0.25 μm, 4. K/min; Tstart: 50. C; Tend: 240. C |
Capillary | HP-1 | 738. | Oh, Shu, et al., 1991 | 50. m/0.32 mm/1.05 μm, He, 2. K/min, 260. C @ 10. min; Tstart: 40. C |
Packed | SE-30 | 713. | Peng, Ding, et al., 1988 | He, Supelcoport and Chromosorb, 40. C @ 4. min, 10. K/min, 250. C @ 60. min; Column length: 3.05 m |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | ZB-5 | 757. | Lu, Hao, et al., 2005 | 30. m/0.25 mm/0.25 μm, He; Program: 50C(1min) => 3C/min => 209C => 20C/min => 280C |
Capillary | CP-Sil 8CB-MS | 739. | Elmore, Mottram, et al., 2000, 2 | 60. m/0.25 mm/0.25 μm, He; Program: 0C(5min) => 40C/min => 40C (2min) => 4C/min => 280C |
Capillary | DB-5 | 745. | Parker, Hassell, et al., 2000 | 50. m/0.32 mm/0.5 μm, He; Program: oC(5min) => 60C/min => 60C (5min) => 4C/min => 250C |
Capillary | BPX-5 | 760. | Elmore, Mottram, et al., 1999 | 50. m/0.32 mm/0.5 μm, He; Program: 0C(5min) => 40C/min => 40C(2min) => 4C/min => 280C |
Capillary | BPX-5 | 739. | Bredie, Mottram, et al., 1998 | 50. m/0.32 mm/0.5 μm, He; Program: OC (5min) => 60C/min => 60C(5min) => 4C/min => 250C |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1209. | Pozo-Bayon M.A., Ruiz-Rodriguez A., et al., 2007 | 30. m/0.25 mm/0.5 μm, He, 40. C @ 5. min, 4. K/min, 250. C @ 15. min |
Capillary | DB-Wax | 1223. | Lopez-Galilea I., Fournier N., et al., 2006 | 30. m/0.32 mm/0.5 μm, He, 5. K/min, 240. C @ 10. min; Tstart: 40. C |
Capillary | HP-Innowax | 1228. | 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 | 1213. | Chung, 1999 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min |
Capillary | FFAP | 1253. | Ott, Fay, et al., 1997 | 30. m/0.25 mm/0.25 μm, He, 20. C @ 1. min, 4. K/min, 200. C @ 1. min |
Capillary | DB-Wax | 1257. | Shimoda, Peralta, et al., 1996 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 230. C |
Capillary | Supelcowax-10 | 1210. | Chung and Cadwallader, 1993 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 195. C @ 40. min |
Capillary | CP-WAX 57CB | 1196. | Baltes and Mevissen, 1988 | He, 50. C @ 5. min, 2. K/min; Column length: 50. m; Column diameter: 0.24 mm; Tend: 210. C |
Van Den Dool and Kratz RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Supelcowax-10 | 1209. | Bianchi, Careri, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) |
Capillary | Supelcowax-10 | 1207. | Bianchi, Careri, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) |
Capillary | FFAP | 1243. | Ranau, Kleeberg, et al., 2005 | 60. m/0.25 mm/0.5 μm, He; Program: 50C(3min) => 3C/min => 100C => 10C/min => 220C(13.5min) |
Capillary | FFAP | 1243. | Ranau and Steinhart, 2005 | 60. m/0.25 mm/0.5 μm, He; Program: 50C(3min) => 3C/min => 100C => 10C/min => 220C (13.5min) |
Capillary | DB-Wax | 1204. | Cantergiani, Brevard, et al., 2001 | 30. m/0.25 mm/0.25 μm; Program: 20C(30s) => fast => 60C => 4C/min => 220C (20min) |
Capillary | Supelcowax-10 | 1204. | Baek and Cadwallader, 1996 | 60. m/0.25 mm/0.25 μm; Program: 40C => (6C/min) => 80C(6min) => (15C/min) => 200C(10min) |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | OV-101 | 130. | 696. | Qi, Yang, et al., 2000 |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 737. | Piyachaiseth, Jirapakkul, et al., 2011 | 60. m/0.25 mm/0.25 μm, Helium, 35. C @ 1. min, 10. K/min, 220. C @ 15. min |
Capillary | DB-5 | 747. | Shedid, 2010 | 30. m/0.25 mm/0.25 μm, Helium, 4. K/min; Tstart: 50. C; Tend: 220. C |
Capillary | SPB-5 | 734. | Sivadier, Ratel, et al., 2009 | 60. m/0.32 mm/1.00 μm, 40. C @ 5. min, 3. K/min, 230. C @ 10. min |
Capillary | SLB-5MS | 744. | Risticevic, Carasek, et al., 2008 | 10. m/0.18 mm/0.18 μm, Helium, 40. C @ 1.5 min, 10. K/min; Tend: 295. C |
Capillary | DB-5 | 740. | Fadel, Mageed, et al., 2006 | He, 60. C @ 5. min, 4. K/min; Column length: 60. m; Column diameter: 0.32 mm; Tend: 250. C |
Capillary | DB-5 | 738. | Fadel, Mageed, et al., 2006, 2 | He, 50. C @ 5. min, 4. K/min; Column length: 60. m; Column diameter: 0.32 mm; Tend: 250. C |
Capillary | HP-5 | 731.6 | 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 | MDN-5 | 732. | van Loon, Linssen, et al., 2005 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 4. min, 4. K/min, 270. C @ 5. min |
Capillary | HP-5 | 712. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
Capillary | SPB-5 | 730. | Poligné, Collignan, et al., 2001 | 60. m/0.32 mm/1. μm, He, 3. K/min; Tstart: 40. C; Tend: 200. C |
Capillary | DB-1 | 701. | Chen and Ho, 1999 | 60. m/0.32 mm/1. μm, He, 2. K/min; Tstart: 40. C; Tend: 260. C |
Capillary | DB-1 | 709. | Chen and Ho, 1998 | 60. m/0.32 mm/1.0 μm, He, 2. K/min; Tstart: 40. C; Tend: 260. C |
Capillary | DB-1 | 714. | Chen and Ho, 1998, 2 | 60. m/0.32 mm/1.0 μm, He, 3. K/min; Tstart: 40. C; Tend: 260. C |
Capillary | DB-1 | 711. | Chen, Wang, et al., 1998 | 60. m/0.32 mm/1. μm, He, 3. K/min; Tstart: 40. C; Tend: 260. C |
Capillary | DB-1 | 722. | Tai and Ho, 1998 | 60. m/0.32 mm/1.0 μm, He, 2. K/min; Tstart: 40. C; Tend: 280. C |
Capillary | DB-1 | 710. | Buttery, Ling, et al., 1997 | 30. C @ 25. min, 4. K/min, 200. C @ 20. min; Column length: 60. m; Column diameter: 0.25 mm |
Capillary | DB-1 | 723. | Lu, Yu, et al., 1997 | 60. m/0.32 mm/1. μm, He, 40. C @ 2. min, 2. K/min, 280. C @ 40. min |
Capillary | DB-1 | 711. | Robacker and Bartelt, 1997 | 30. m/0.32 mm/0.5 μm, He, 35. C @ 1. min, 10. K/min; Tend: 200. C |
Capillary | DB-1 | 706. | Buttery and Ling, 1995 | He, 30. C @ 25. min, 4. K/min, 200. C @ 20. min; Column length: 60. m; Column diameter: 0.25 mm |
Capillary | DB-1 | 716. | Yu and Ho, 1995 | 60. m/0.25 mm/1. μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 60. min |
Capillary | DB-1 | 706. | Buttery, Stern, et al., 1994 | He, 30. C @ 25. min, 4. K/min, 200. C @ 20. min; Column length: 60. m; Column diameter: 0.32 mm |
Capillary | DB-1 | 712. | Yu, Wu, et al., 1994 | 60. m/0.25 mm/1.0 μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 60. min |
Capillary | DB-1 | 710. | Yu, Wu, et al., 1994 | 60. m/0.25 mm/1.0 μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 60. min |
Capillary | OV-101 | 714. | Misharina, Golovnya, et al., 1991, 2 | 50. m/0.32 mm/0.5 μm, He, 4. K/min; Tstart: 50. C; Tend: 250. C |
Capillary | OV-101 | 718. | Misharina, Golovnya, et al., 1991, 2 | 50. m/0.32 mm/0.5 μm, He, 4. K/min; Tstart: 50. C; Tend: 250. C |
Capillary | OV-101 | 710. | Mihara and Masuda, 1987 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C |
Capillary | OV-101 | 710. | Masuda and Mihara, 1986 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C |
Capillary | OV-101 | 710. | Mihara and Enomoto, 1985 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C |
Capillary | OV-101 | 708. | del Rosario, de Lumen, et al., 1984 | He, 0. C @ 1. min, 3. K/min; Column length: 50. m; Column diameter: 0.31 mm; Tend: 225. C |
Capillary | SE-30 | 710. | Heydanek and McGorrin, 1981 | 40. C @ 3. min, 3. K/min; Column length: 50. m; Column diameter: 0.5 mm; Tend: 170. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SLB-5MS | 729. | Risticevic, Carasek, et al., 2008 | 10. m/0.18 mm/0.18 μm, Helium; Program: not specified |
Capillary | HP-5 MS | 672. | Wan Aida, Ho, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (2 min) 20 0C/min -> 80 0C (1 min) 20 0C -> 100 0C (1 min) 30 0C/min -> 230 0C (2 min) |
Capillary | HP-5 | 730. | Characterization of Pyrazines in Some Chinese Liquors and Their Approximate Concentrations, 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 50C(2min) => 2C/min => 140C => 10C/min => 280C (10min) |
Capillary | HP-5MS | 672. | Ho, Wan Aida, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 50C(2min) => 20C/min => 80C (1min) => 20C/min => 100C(1min) => 30C/min => 230C(3min) |
Capillary | SE-30 | 739. | Vinogradov, 2004 | Program: not specified |
Capillary | RTX-5 MS | 741. | Machiels and Istasse, 2003 | 60. m/0.25 mm/0.5 μm, He; Program: 35C (3min) => 10C/min => 50C => 4C/min => 200C => 50C/min => 250C (10min) |
Capillary | BPX-5 | 734. | Machiels, van Ruth, et al., 2003 | 60. m/0.32 mm/1. μm, He; Program: 40C (4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250 C (10min) |
Capillary | CP Sil 5 CB | 731. | Counet, Callemien, et al., 2002 | 50. m/0.32 mm/1.2 μm; Program: 36C => 20C/min => 85C => 1C/min => 145C=3C/min => 250C(30min) |
Capillary | Methyl phenyl siloxane (not specified) | 731. | Poligne, Collignan, et al., 2002 | Program: not specified |
Capillary | DB-5 | 733. | Didzbalis and Ho, 2001 | 60. m/0.25 mm/0.25 μm, Helium; Program: 35 0C (2 min) 30 0C/min -> 60 0C (1 min) 6 0C/min -> 250 0C (10 min) |
Capillary | DB-5 | 731. | Mateo and Zumalacárregui, 1996 | 50. m/0.32 mm/0.25 μm, He; Program: 40C (10min) => 3C/min => 95C => 10C/min => 270C (10min) |
Capillary | OV-101 | 739. | Shibamoto, 1987 | Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 710. | 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. | 718. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-Innowax | 1201. | Puvipirom and Chaisei, 2012 | 15. m/0.32 mm/0.50 μm, Helium, 3. K/min; Tstart: 40. C; Tend: 250. C |
Capillary | FFAP | 1232. | Budryn, Nebesny, et al., 2011 | 30. m/0.32 mm/0.50 μm, Nitrogen, 35. C @ 5. min, 4. K/min, 250. C @ 45. min |
Capillary | DB-Wax | 1232. | Moon and Shibamoto, 2010 | 60. m/0.25 mm/0.50 μm, Helium, 40. C @ 5. min, 2. K/min, 210. C @ 70. min |
Capillary | DB-Wax | 1231. | Moon and Shibamoto, 2009 | 60. m/0.25 mm/0.50 μm, Helium, 40. C @ 5. min, 2. K/min, 210. C @ 70. min |
Capillary | ZB-Wax | 1243. | Marin, Pozrl, et al., 2008 | 60. m/0.32 mm/0.50 μm, Helium, 40. C @ 5. min, 4. K/min, 220. C @ 5. min |
Capillary | DB-Wax | 1201. | Characterization of Pyrazines in Some Chinese Liquors and Their Approximate Concentrations, 2007 | 30. m/0.25 mm/0.25 μm, He, 4. K/min, 230. C @ 15. min; Tstart: 50. C |
Capillary | FFAP | 1232. | Nebesny, Budryn, et al., 2007 | 30. m/0.32 mm/0.5 μm, N2, 35. C @ 5. min, 4. K/min, 320. C @ 45. min |
Capillary | DB-Wax | 1197. | Fujioka and Shibamoto, 2006 | 60. m/0.25 mm/0.25 μm, He, 2. K/min, 200. C @ 90. min; Tstart: 50. C |
Capillary | DB-Wax | 1217. | Osada and Shibamoto, 2006 | He, 60. C @ 5. min, 2. K/min, 180. C @ 30. min; Column length: 30. m; Column diameter: 0.25 mm |
Capillary | ZB-Wax | 1208. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
Capillary | DB-Wax | 1210. | Tanaka, Yamauchi, et al., 2003 | 30. m/0.25 mm/0.25 μm, 30. C @ 1. min, 4. K/min; Tend: 250. C |
Capillary | DB-Wax | 1214. | Tanaka, Yamauchi, et al., 2003 | 30. m/0.25 mm/0.25 μm, 30. C @ 1. min, 4. K/min; Tend: 250. C |
Capillary | HP-Wax | 1231. | Sanz, Maeztu, et al., 2002 | 60. m/0.25 mm/0.5 μm, He, 40. C @ 6. min, 3. K/min; Tend: 190. C |
Capillary | HP-Wax | 1231. | Maeztu, Sanz, et al., 2001 | 60. m/0.25 mm/0.5 μm, He, 40. C @ 6. min, 3. K/min; Tend: 190. C |
Capillary | HP-Wax | 1231. | Sanz, Ansorena, et al., 2001 | 60. m/0.25 mm/0.5 μm, He, 40. C @ 6. min, 3. K/min; Tend: 190. C |
Capillary | DB-Wax | 1207. | Buttery, Orts, et al., 1999 | 30. C @ 4. min, 2. K/min, 170. C @ 60. min; Column length: 60. m; Column diameter: 0.32 mm |
Capillary | DB-Wax | 1241. | Iwatsuki, Mizota, et al., 1999 | 4. K/min; Column length: 30. m; Column diameter: 0.53 mm; Tstart: 60. C; Tend: 210. C |
Capillary | DB-Wax | 1207. | Buttery and Ling, 1998 | 30. C @ 4. min, 2. K/min, 170. C @ 30. min; Column length: 60. m; Column diameter: 0.25 mm |
Capillary | PEG-20M | 1180. | Kubota, Nakamoto, et al., 1991 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 180. C |
Capillary | DB-Wax | 1215. | Wong and Bernhard, 1988 | He, 70. C @ 8. min, 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 160. C |
Capillary | Carbowax 20M | 1179. | Mihara and Enomoto, 1985 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C |
Capillary | Carbowax 20M | 1206. | Liardon and Ledermann, 1980 | H2, 2. K/min; Column length: 39. m; Column diameter: 0.30 mm; Tstart: 60. C; Tend: 220. C |
Capillary | Carbowax 20M | 1212. | Shibamoto and Russell, 1977 | 1. K/min; Column length: 100. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 170. C |
Capillary | Carbowax 20M | 1214. | Shibamoto and Russell, 1977 | 1. K/min; Column length: 100. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 170. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1212. | Gonzalez-Rios, Suarez-Quiroz, et al., 2007 | 30. m/0.25 mm/0.25 μm, Hydrogen; Program: 44 0C 3 0C/min -> 170 0C 8 0C/min -> 250 0C |
Capillary | DB-Wax | 1194. | Gonzalez-Rios, Suarez-Quiroz, et al., 2007 | 30. m/0.25 mm/0.25 μm, Hydrogen; Program: not specified |
Capillary | HP-Innowax | 1214. | Viegas and Bassoli, 2007 | 60. m/0.32 mm/0.25 μm, Helium; Program: 40 0C (5 min) 4 0C/min -> 60 0C (5 min) 8 0C/min -> 250 0C (3 min) |
Capillary | HP-Innowax | 1196. | Viegas and Bassoli, 2007 | 60. m/0.32 mm/0.25 μm, Helium; Program: not specified |
Capillary | Innowax | 1222. | Ito and Mori, 2004 | 30. m/0.25 mm/0.50 μm, Helium; Program: 40 0C (2 min) 10 0C/min -> 100 0C 3 0C/min -> 160 0C 5 0C/min -> 260 0C (10 min) |
Capillary | Carbowax 20M | 1194. | Vinogradov, 2004 | Program: not specified |
Capillary | CP-Wax 52CB | 1218. | Muresan, Eillebrecht, et al., 2000 | 50. m/0.32 mm/1.2 μm; Program: 40C(10min) => 3C/min => 190C => 10C/min => 250C(5min) |
Capillary | DB-Wax | 1224. | Peng, Yang, et al., 1991 | Program: not specified |
Capillary | Carbowax 20M | 1179. | Mihara and Masuda, 1987 | Program: not specified |
Capillary | Carbowax 20M | 1194. | Shibamoto, 1987 | Program: not specified |
Capillary | Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc. | 1196. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
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, IR Spectrum, 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
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- Symbols used in this document:
AE Appearance energy Cp,solid Constant pressure heat capacity of solid EA Electron affinity Tboil Boiling point Tfus Fusion (melting) point 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 ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔsubH Enthalpy of sublimation ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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