Caffeine

Formula: C₈H₁₀N₄O₂
Molecular weight: 194.1906
IUPAC Standard InChI: InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
IUPAC Standard InChIKey: RYYVLZVUVIJVGH-UHFFFAOYSA-N
CAS Registry Number: 58-08-2
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: 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-; Alert-Pep; Cafeina; Caffein; Caffine; Cafipel; Coffeine; Guaranine; Koffein; Mateina; Methyltheobromine; No-Doz; Refresh'n; Stim; Thein; Theine; 1,3,7-Trimethyl-2,6-dioxopurine; 1,3,7-Trimethylxanthine; Cafamil; Cafecon; Caffeine, synthetic; Eldiatric C; Nix Nap; Nodaca; NCI-C02733; Theobromine, 1-methyl-; Theophylline, 7-methyl; Xanthine, 1,3,7-trimethyl; 3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione; Coffein; Kofein; Organex; Monomethyl derivative of Theophylline; Theobromine Me; Theophylline Me; Caffedrine; Hycomine; NSC 5036; Tri-Aqua; Wigraine; 7-Methylxanthine, N,N'-dimethyl-; 1,3,7-Trimethyl-3,7-dihydro-1H-purine-2,6-dione; A.S.A. and Codeine Compound; Anacin; Anacin Maximum Strength; Bayer Select Headache Pain; Cafergot; DHCplus; Dasin; Fiorinal; Hycomine Compound; Midol Maximum Strength; Norgesic; P-A-C Analgesic Tablets; Phensal; Propoxyphene Compound 65; SK-65 Compound; Synalgos; Synalgos-DC; Vanquish; component of A.S.A. Compound; component of Ansemco 2; component of Dilone; component of Midol; component of P-A-C Compound; component of Percodan; 71701-02-5; 95789-13-2; A.S.A. and Codeine Compound (Salt/Mix); Anacin (Salt/Mix); Anacin Maximum Strength (Salt/Mix); Bayer Select Headache Pain (Salt/Mix); Cafergot (Salt/Mix); DHCplus (Salt/Mix); Dasin (Salt/Mix); Fiorinal (Salt/Mix); Hycomine Compound (Salt/Mix); Midol Maximum Strength (Salt/Mix); Norgesic (Salt/Mix); P-A-C Analgesic Tablets (Salt/Mix); Phensal (Salt/Mix); Propoxyphene Compound 65 (Salt/Mix); SK-65 Compound (Salt/Mix); Synalgos (Salt/Mix); Synalgos-DC (Salt/Mix); Vanquish (Salt/Mix); component of A.S.A. Compound (Salt/Mix); component of Ansemco 2 (Salt/Mix); component of Dilone (Salt/Mix); component of Midol (Salt/Mix); component of P-A-C Compound (Salt/Mix); component of Percodan (Salt/Mix)
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Phase change data

Go To: Top, Gas phase ion energetics data, Gas Chromatography, References, Notes

Data compiled as indicated in comments:
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

Quantity	Value	Units	Method	Reference	Comment
T_fus	509.3	K	N/A	Bruns, Reichelt, et al., 1984	Crystal phase 1 phase; Uncertainty assigned by TRC = 0.1 K; TRC
T_fus	508.	K	N/A	Grady, Hays, et al., 1973	Uncertainty assigned by TRC = 1. K; TRC
Quantity	Value	Units	Method	Reference	Comment
T_triple	508.3	K	N/A	Weinstein, Leffler, et al., 1984	Crystal phase 1 phase; Uncertainty assigned by TRC = 1.5 K; DSC; TRC

Enthalpy of vaporization

Δ_vapH (kcal/mol)	Temperature (K)	Method	Reference	Comment
15.5 ± 0.57	634. to 743.	DSC	Boller and Wiedemann, 1998	AC

Enthalpy of sublimation

Δ_subH (kcal/mol)	Temperature (K)	Method	Reference	Comment
24.76	423.	UV	Ebeling and Franck, 2010	Based on data from 373. to 473. K.; AC
26.91 ± 0.57	315. to 364.	ME	Boller and Wiedemann, 1998	AC

Enthalpy of fusion

Δ_fusH (kcal/mol)	Temperature (K)	Method	Reference	Comment
5.93	507.7	DSC	Guo, Sadiq, et al., 2010	AC
4.747	509.5	DSC	Dong, Li, et al., 2007	AC
5.23	510.2	DSC	Pinto and Diogo, 2006	AC
4.632	510.2	DSC	Klous, Bronner, et al., 2005	AC
4.37	510.	N/A	Domalski and Hearing, 1990	See also Ohm and Lippold, 1985.; AC
5.007	508.3	DSC	Weinstein, Leffler, et al., 1984, 2	AC

Enthalpy of phase transition

ΔH_trs (kcal/mol)	Temperature (K)	Initial Phase	Final Phase	Reference	Comment
0.225	426.	crystaline, II	crystaline, I	Cesaro and Starec, 1980	to form.; DH
1.338	512.	crystaline, I	liquid	Cesaro and Starec, 1980	to liquid.; DH
0.2302	414.	crystaline, II	crystaline, I	Bothe and Cammenga, 1979	Low temperature to a high temperature transition.; DH
1.233	509.3	crystaline, I	liquid	Bothe and Cammenga, 1979	DH

Entropy of phase transition

ΔS_trs (cal/mol*K)	Temperature (K)	Initial Phase	Final Phase	Reference	Comment
0.53	426.	crystaline, II	crystaline, I	Cesaro and Starec, 1980	to; DH
2.61	512.	crystaline, I	liquid	Cesaro and Starec, 1980	DH
1.63	414.	crystaline, II	crystaline, I	Bothe and Cammenga, 1979	Low; DH
2.41	509.3	crystaline, I	liquid	Bothe and Cammenga, 1979	DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:

Gas phase ion energetics data

Go To: Top, Phase change data, Gas Chromatography, References, Notes

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV)	Method	Reference	Comment
7.95	PE	Dougherty, Younathan, et al., 1978	LLK
8.50	CTS	Slifkin and Allison, 1967	RDSH

Gas Chromatography

Go To: Top, Phase change data, Gas phase ion energetics data, References, Notes

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

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Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	DB-5	220.	1840.	Phillips, Logan, et al., 1990	15. m/0.25 mm/0.2 μm, He
Capillary	BP-1	200.	1797.	Japp, Gill, et al., 1987	25. m/0.22 mm/0.25 μm, N2
Capillary	BP-1	200.	1803.	Japp, Gill, et al., 1987	25. m/0.53 mm/1. μm, N2
Packed	SE-30	180.	1809.	Musumarra, Scarlata, et al., 1987	N2, 1% se-30 on Anachrom ABS(80-100mesh); Column length: 2. m
Packed	SE-30	210.	1824.	Lenchik, Rudenko, et al., 1986	N2, Inerton N AW (1), NaCl (2), and steel powder (3); Column length: 1. m
Packed	SE-30	210.	1832.	Lenchik, Rudenko, et al., 1986	N2, Inerton N AW (1), NaCl (2), and steel powder (3); Column length: 1. m
Capillary	SPB-1	250.	1840.	Lora-Tamayo, Rams, et al., 1986	He; Column length: 25. m; Column diameter: 0.20 mm
Packed	OV-1	250.	1818.	Machata and Vycudilik, 1980	N2, Chromosorb G
Packed	OV-1	200.	1800.	Berninger and Möller, 1977
Packed	OV-101	200.	1800.	Möller, 1976	N2, Chromosorb G AW DMCS (80-100 mesh); Column length: 2. m
Packed	OV-101	200.	1805.	Möller, 1976	N2, Chromosorb G AW DMCS (80-100 mesh); Column length: 2. m
Packed	OV-101	200.	1810.	Möller, 1976	N2, Chromosorb G AW DMCS (80-100 mesh); Column length: 2. m
Packed	OV-101	190.	1796.	Möller, 1976	N2, Chromosorb W; Column length: 2. m
Packed	OV-101	230.	1833.	Möller, 1976	N2, Chromosorb W; Column length: 2. m

Kovats' RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	HP-1	1820.	Bickeboeller-Friedrich and Maurer, 2001	12. m/0.2 mm/0.33 μm, He, 100. C @ 3. min, 30. K/min, 310. C @ 8. min
Capillary	SE-30	1796.	Schepers, Wijsbeek, et al., 1982	12. m/0.22 mm/0.45 μm, He, 120. C @ 2. min, 8. K/min, 300. C @ 12. min
Capillary	SE-30	1780.	Schepers, Wijsbeek, et al., 1982	25. m/0.49 mm/1.14 μm, 100. C @ 2. min, 8. K/min, 275. C @ 15. min
Capillary	OV-101	1800.	Yamaguchi and Shibamoto, 1981	N2, 2. K/min; Column length: 70. m; Column diameter: 0.28 mm; T_start: 80. C; T_end: 200. C
Capillary	OV-101	1802.	Yamaguchi and Shibamoto, 1981	N2, 2. K/min; Column length: 70. m; Column diameter: 0.28 mm; T_start: 80. C; T_end: 200. C

Kovats' RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Packed	OV-101	1830.	McLinden and Stenhouse, 1979	N2, Chromosorb W; Column length: 2. m; Program: not specified
Packed	OV-1	1800.	Berninger, Grunnagel, et al., 1975	N2, Chromosorb G, AW-DMCS; Column length: 2. m; Program: not specified
Packed	OV-1	1800.	Berninger, Grunnagel, et al., 1975	N2, Chromosorb G, AW-DMCS; Column length: 2. m; Program: not specified
Packed	SE-30	1810.	Moffat, Stead, et al., 1974	Column length: 2. m; Program: not specified

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	DB-1	1760.	Johnson, Urso, et al., 1997	30. m/0.2 mm/0.25 μm, 50. C @ 2. min, 5. K/min, 300. C @ 5. min
Capillary	SPB-1	1811.	Christ, Noomano, et al., 1988	30. m/0.75 mm/1.0 μm, He, 10. K/min, 280. C @ 12. min; T_start: 160. C
Capillary	CBP-1	1769.	Oyama, Sano, et al., 1987	N2, 6. K/min; Column length: 12. m; Column diameter: 0.53 mm; T_start: 120. C; T_end: 250. C
Packed	Methyl Silicone	1830.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1835.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1796.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1800.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1805.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1810.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1810.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1810.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1810.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1813.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1813.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1815.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1815.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1807.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1810.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1810.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1813.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1813.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1815.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1815.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1818.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1830.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1798.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1800.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1800.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1800.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1800.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1800.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1802.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1805.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1805.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1805.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1810.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1850.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Capillary	DB-1	1768.	Perrigo, Peel, et al., 1985	15. m/0.32 mm/0.25 μm, He, 8. K/min, 280. C @ 5. min; T_start: 120. C
Capillary	Methyl Silicone	1764.0	Newton and Foery, 1984	12. m/0.2 mm/0.33 μm, He, 50. C @ 1. min, 20. K/min, 300. C @ 3. min
Capillary	5 % Phenyl methyl siloxane	1848.0	Newton and Foery, 1984	12. m/0.2 mm/0.33 μm, He, 50. C @ 1. min, 20. K/min, 300. C @ 3. min
Capillary	DB-1	1768.	Perrigo, Ballantyne, et al., 1984	15. m/0.25 mm/0.25 μm, He, 8. K/min, 280. C @ 5. min; T_start: 120. C
Capillary	DB-1	1775.	Perrigo, Ballantyne, et al., 1984	15. m/0.25 mm/0.25 μm, He, 12. K/min, 280. C @ 5. min; T_start: 120. C
Capillary	DB-1	1778.	Perrigo, Ballantyne, et al., 1984	15. m/0.25 mm/0.25 μm, He, 15. K/min, 280. C @ 5. min; T_start: 120. C
Capillary	DB-1	1761.	Perrigo, Ballantyne, et al., 1984	15. m/0.25 mm/0.25 μm, He, 5. K/min, 280. C @ 5. min; T_start: 120. C
Packed	SE-30	1800.	Perrigo and Peel, 1981	N2, Chromosorb W, 130. C @ 2. min, 8. K/min, 290. C @ 8. min; Column length: 1.8 m

Van Den Dool and Kratz RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	OV-101	1768.	Yasuhara, Shiraishi, et al., 1997	15. m/0.25 mm/0.25 μm, He; Program: 50C(2min) => (20C/min) => 120C => (7C/min) => 310C(10min)
Capillary	5 % Phenyl methyl siloxane	1838.	Yasuhara, Shiraishi, et al., 1997	25. m/0.31 mm/0.52 μm, He; Program: 50C(2min) => (20C/min) => 120C => (7C/min) => 310C(10min)
Capillary	CP Sil 5 CB	1809.	Aderjan and Bogusz, 1988	10. m/0.53 mm/5.0 μm, He; Program: 100 0C (2 min ) 15 0C/min -> 200 0C 10 0C/min -> 300 0C (8 min hold)
Capillary	BP-1	1775.	Stowell and Wilson, 1987	12. m/0.22 mm/0.25 μm, He; Program: 120C => 8C/min => 270C => 25C/min => 300C

Normal alkane RI, non-polar column, isothermal

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Column type	Active phase	Temperature (C)	I	Reference	Comment
Packed	OV-101	180.	1789.	Dubsky, Hána, et al., 1978	Nitrogen, Chromosorb G (100-120 mesh); Column length: 2. m
Packed	OV-101	200.	1800.	Dubsky, Hána, et al., 1978	Nitrogen, Chromosorb G (100-120 mesh); Column length: 2. m
Packed	OV-101	200.	1806.	Dubsky, Hána, et al., 1978	Nitrogen, Chromosorb G (100-120 mesh); Column length: 2. m
Packed	OV-101	200.	1810.	Möller, 1976	N2, Chromosorb G AW DMCS (80-100 mesh); Column length: 2. m

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Packed	Polydimethyl siloxane	1810.	MHA, 9999	Nitrogen; Column length: 2. m; T_start: 100. C; T_end: 300. C
Packed	SE-30	1810.	MHA, 9999	Nitrogen, Chromosorb G AW DMCS (80-100 mesh); Column length: 2. m; T_start: 100. C; T_end: 300. C
Capillary	OV-1	1789.	Da Costa, Yang, et al., 2010	50. m/0.32 mm/0.50 μm, 2. K/min, 270. C @ 10. min; T_start: 40. C
Capillary	Ultra-1	1772.	Du, Clery, et al., 2008	50. m/0.20 mm/0.33 μm, Helium, 2. K/min, 280. C @ 20. min; T_start: 50. C
Capillary	SLB-5MS	1836.	Risticevic, Carasek, et al., 2008	10. m/0.18 mm/0.18 μm, Helium, 40. C @ 1.5 min, 10. K/min; T_end: 295. C
Capillary	HP-5 MS	1842.	Christov and Evstatieva, 2003	30. m/0.25 mm/0.25 μm, Helium, 100. C @ 2. min, 5. K/min, 280. C @ 20. min
Capillary	Polymethylsiloxane, (PMS-20000)	1800.	Gambaro, Saligari, et al., 1997	12. m/0.20 mm/0.33 μm, He, 10. K/min; T_start: 160. C; T_end: 300. C
Capillary	DB-1	1774.	Sharp, 1987	15. m/0.25 mm/0.25 μm, He, 130. C @ 1. min, 10. K/min, 290. C @ 10. min
Capillary	BP-1	1779.	Stowell and Wilson, 1985	12. m/0.22 mm/0.25 μm, He, 12. K/min; T_start: 120. C; T_end: 270. C
Capillary	BP-1	1784.	Stowell and Wilson, 1985	12. m/0.22 mm/0.25 μm, He, 15. K/min; T_start: 120. C; T_end: 270. C
Capillary	BP-1	1800.	Stowell and Wilson, 1985	12. m/0.22 mm/0.25 μm, He, 25. K/min; T_start: 120. C; T_end: 270. C
Capillary	BP-1	1776.	Stowell and Wilson, 1985	12. m/0.22 mm/0.25 μm, He, 6. K/min; T_start: 120. C; T_end: 270. C
Capillary	BP-1	1775.	Stowell and Wilson, 1985	12. m/0.22 mm/0.25 μm, He, 8. K/min; T_start: 120. C; T_end: 270. C
Capillary	BP-1	1768.	Stowell and Wilson, 1985	12. m/0.22 mm/0.25 μm, He, 8. K/min; T_start: 120. C; T_end: 280. C
Capillary	BP-1	1764.	Stowell and Wilson, 1985	12. m/0.22 mm/0.25 μm, He, 20. K/min; T_start: 50. C; T_end: 300. C
Packed	SE-30	1815.	Marozzi, Gambaro, et al., 1982	Gas Chrom P, 2.5 K/min; Column length: 2. m; T_start: 120. C; T_end: 200. C
Capillary	OV-101	1797.	Pinkston, Spiteller, et al., 1981	H2, 80. C @ 7. min, 2. K/min; Column length: 30. m; Column diameter: 0.3 mm; T_end: 275. C
Capillary	OV-101	1797.	Spiteller and Spiteller, 1979	He, 75. C @ 7. min, 2. K/min; Column length: 25. m; T_end: 280. C
Packed	SE-30	1790.	Peel and Perrigo, 1976	Nitrogen, Chromosorb W AW DMS (80-100 mesh), 130. C @ 2. min, 8. K/min, 290. C @ 8. min; Column length: 2. m
Packed	SE-30	1790.	Peel and Perrigo, 1975	N2, Chromosorb W AW DMS, 130. C @ 2. min, 8. K/min, 290. C @ 8. min; Column length: 2. m

Normal alkane RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	SLB-5 MS	1841.	Mondello, 2012	30. m/0.25 mm/0.25 μm, Helium; Program: not specified
Capillary	SLB-5MS	1837.	Risticevic, Carasek, et al., 2008	10. m/0.18 mm/0.18 μm, Helium; Program: not specified
Capillary	Polymethylsiloxane, (PMS-20000)	1760.	Gambaro, Saligari, et al., 1997	12. m/0.20 mm/0.33 μm, He; Program: not specified
Capillary	Polymethylsiloxane, (PMS-20000)	1771.	Gambaro, Saligari, et al., 1997	12. m/0.20 mm/0.33 μm, He; Program: not specified
Capillary	CP Sil 5 CB	1820.	Bogusz, Bialka, et al., 1986	10. m/0.53 mm/5.2 μm; Program: 100 0C (2 min) 20 0C/min -> 180 0C 7.5 0C/min -> 280 0C (6 min)
Capillary	CP Sil 5 CB	1810.	Bogusz, Bialka, et al., 1986	10. m/0.53 mm/5.2 μm; Program: not specified
Capillary	BP-1	1775.	Stowell and Wilson, 1985	12. m/0.22 mm/0.25 μm, He; Program: 120 0X 8 0C/min -> 270 0C 25 0C/min -> 300 0C (5 min)
Capillary	BP-1	1810.	Stowell and Wilson, 1985	12. m/0.22 mm/0.25 μm, He; Program: not specified
Capillary	OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.	1776.	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.	1777.	Waggott and Davies, 1984	Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
Other	Methyl Silicone	1810.	Ardrey and Moffat, 1981	Program: not specified
Packed	OV-101	1801.	Dubsky, Hána, et al., 1978	Nitrogen, Chromosorb G (100-120 mesh); Column length: 2. m; Program: not specified
Packed	OV-101	1810.	Dubsky, Hána, et al., 1978	Nitrogen, Chromosorb G (100-120 mesh); Column length: 2. m; Program: not specified

Lee's RI, non-polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-1	306.6	Johnson, Urso, et al., 1997	30. m/0.2 mm/0.25 μm, 50. C @ 2. min, 5. K/min, 300. C @ 5. min

References

Go To: Top, Phase change data, Gas phase ion energetics data, Gas Chromatography, Notes

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Notes

Go To: Top, Phase change data, Gas phase ion energetics data, Gas Chromatography, References

Symbols used in this document:

T_fus	Fusion (melting) point
T_triple	Triple point temperature
ΔH_trs	Enthalpy of phase transition
ΔS_trs	Entropy of phase transition
Δ_fusH	Enthalpy of fusion
Δ_subH	Enthalpy of sublimation
Δ_vapH	Enthalpy of vaporization

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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