Pyrene

Formula: C₁₆H₁₀
Molecular weight: 202.2506
IUPAC Standard InChI: InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H
IUPAC Standard InChIKey: BBEAQIROQSPTKN-UHFFFAOYSA-N
CAS Registry Number: 129-00-0
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: β-Pyrene; Benzo[def]phenanthrene; Pyren; Coal tar pitch volatiles:pyrene
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Other data available:
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- Gas Phase Kinetics Database
- NIST Polycyclic Aromatic Hydrocarbon Structure Index
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Gas phase thermochemistry data

Go To: Top, IR Spectrum, Gas Chromatography, References, Notes

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
Δ_fH°_gas	225.5 ± 2.5	kJ/mol	Review	Roux, Temprado, et al., 2008	There are sufficient literature values to make a qualified recommendation where the suggested value is in good agreement with values predicted using thermochemical cycles or from reliable estimates. In general, the evaluated uncertainty limits are on the order of (2 to 4) kJ/mol.; DRB
Δ_fH°_gas	225.7 ± 1.3	kJ/mol	Ccr	Smith, Stewart, et al., 1980	ALS
Δ_fH°_gas	214.9	kJ/mol	N/A	Westrum and Wong, 1967	Value computed using Δ_fH_solid° value of 114.7±0.4 kj/mol from Westrum and Wong, 1967 and Δ_subH° value of 100.2 kj/mol from Smith, Stewart, et al., 1980.; DRB
Δ_fH°_gas	214.9	kJ/mol	N/A	Richardson and Parks, 1939	Value computed using Δ_fH_solid° value of 114.7±3.6 kj/mol from Richardson and Parks, 1939 and Δ_subH° value of 100.2 kj/mol from Smith, Stewart, et al., 1980.; DRB

Constant pressure heat capacity of gas

C_p,gas (J/mol*K)	Temperature (K)	Reference	Comment
40.30	50.	Dorofeeva O.V., 1988	These functions are also reproduced in the reference book [ Frenkel M., 1994]. Recommended entropy and heat capacity values are in close agreement with other statistically calculated values [ Smith N.K., 1980] at T=400-500 K. The disagreement increases up to 2 J/mol*K for T=200 and 600 K.; GT
62.82	100.
94.01	150.
129.90	200.
185.37	273.15
204.2 ± 1.0	298.15
205.58	300.
275.54	400.
333.59	500.
379.87	600.
416.74	700.
446.49	800.
470.86	900.
491.07	1000.
507.98	1100.
522.25	1200.
534.37	1300.
544.73	1400.
553.62	1500.

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Gas Chromatography, References, Notes

Data compiled by: Coblentz Society, Inc.

SOLUTION (10% CCl4 FOR 4000-1340, 10% CCl4 FOR 440-200, 10% CS2 FOR 1340-430 CM^-1); BECKMAN IR-12 (GRATING); 2 cm^-1 resolution

Data compiled by: Timothy J. Johnson, Tanya L. Myers, Yin-Fong Su, Russell G. Tonkyn, Molly Rose K. Kelly-Gorham, and Tyler O. Danby

solid; Bruker Tensor 37 FTIR; 0.96450084 cm^-1 resolution

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

gas; HP-GC/MS/IRD

Gas Chromatography

Go To: Top, Gas phase thermochemistry data, IR Spectrum, 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	SPB-5	180.	2103.	Corbella, Rodríguez, et al., 1995	15. m/0.32 mm/0.25 μm, He
Capillary	CP Sil 5 CB	240.	2119.	Hanai and Hong, 1989	30. m/0.25 mm/0.25 μm
Packed	SE-30	200.	2101.	Shlyakhov, Anvaer, et al., 1975

Kovats' RI, polar column, isothermal

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Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	CP-Wax	240.	3183.	Hanai and Hong, 1989	25. m/0.25 mm/0.22 μm

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

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Column type	Active phase	I	Reference	Comment
Capillary	DB-5	2113.4	Song, Lai, et al., 2003	30. m/0.25 mm/0.25 μm, He, 4. K/min; T_start: 40. C; T_end: 310. C
Capillary	DB-5	2113.4	Song, Lai, et al., 2003	30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 4. K/min; T_end: 310. C
Capillary	DB-5	2082.6	Song, Lai, et al., 2003	30. m/0.25 mm/0.25 μm, He, 2. K/min; T_start: 40. C; T_end: 310. C
Capillary	DB-5	2113.4	Song, Lai, et al., 2003	30. m/0.25 mm/0.25 μm, He, 4. K/min; T_start: 40. C; T_end: 310. C
Capillary	DB-5	2132.5	Song, Lai, et al., 2003	30. m/0.25 mm/0.25 μm, He, 6. K/min; T_start: 40. C; T_end: 310. C
Capillary	OV-1	2080.4	Zhang, Shen, et al., 2000	25. m/0.2 mm/0.33 μm, 5. K/min; T_start: 100. C; T_end: 180. C
Capillary	OV-1	2126.4	Zhang, Shen, et al., 2000	25. m/0.2 mm/0.33 μm, 5. K/min; T_start: 100. C; T_end: 180. C
Capillary	OV-1	2095.8	Gautzsch and Zinn, 1996	8. K/min; T_start: 35. C; T_end: 300. C
Capillary	DB-5	2082.6	Lai and Song, 1995	30. m/0.25 mm/0.25 μm, He, 2. K/min; T_start: 40. C; T_end: 310. C
Capillary	DB-5	2113.4	Lai and Song, 1995	30. m/0.25 mm/0.25 μm, He, 4. K/min; T_start: 40. C; T_end: 310. C
Capillary	DB-5	2132.5	Lai and Song, 1995	30. m/0.25 mm/0.25 μm, He, 6. K/min; T_start: 40. C; T_end: 310. C
Capillary	DB-5	2113.4	Lai and Song, 1995	30. m/0.25 mm/0.25 μm, He, 4. K/min; T_start: 40. C; T_end: 310. C
Capillary	DB-5	2113.4	Lai and Song, 1995	30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 4. K/min; T_end: 310. C
Capillary	SP-2100	2049.68	Podmaniczky, Szepesy, et al., 1986	H2, 4. K/min; T_start: 170. C
Capillary	SP-2100	2060.85	Podmaniczky, Szepesy, et al., 1986	H2, 6. K/min; T_start: 170. C
Capillary	SP-2100	2069.40	Podmaniczky, Szepesy, et al., 1986	H2, 2. K/min; T_start: 170. C
Capillary	SP-2100	2069.26	Podmaniczky, Szepesy, et al., 1986	H2, 4. K/min; T_start: 170. C
Capillary	SP-2100	2091.45	Podmaniczky, Szepesy, et al., 1986	H2, 6. K/min; T_start: 170. C
Capillary	CP Sil 5 CB	2073.47	Podmaniczky, Szepesy, et al., 1986	H2, 4. K/min; T_start: 170. C
Capillary	SE-52	2057.	Beernaert, 1979	He, 50. C @ 5. min, 6. K/min; Column length: 33.3 m; Column diameter: 0.50 mm; T_end: 320. C
Capillary	SE-52	2041.	Beernaert, 1979	He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; T_end: 320. C
Capillary	SE-52	2054.	Beernaert, 1979	He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; T_end: 320. C
Capillary	SE-52	2055.	Beernaert, 1979	He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; T_end: 320. C
Capillary	SE-52	2055.	Beernaert, 1979	He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; T_end: 320. C
Capillary	SE-52	2055.	Beernaert, 1979	He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; T_end: 320. C
Capillary	SE-52	2055.	Beernaert, 1979	He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; T_end: 320. C
Capillary	SE-52	2070.	Beernaert, 1979	He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; T_end: 320. C
Capillary	SE-52	2070.	Beernaert, 1979	He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; T_end: 320. C
Capillary	SE-52	2070.	Beernaert, 1979	He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; T_end: 320. C
Capillary	SE-52	2070.	Beernaert, 1979	He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; T_end: 320. C
Capillary	SE-52	2078.	Beernaert, 1979	He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; T_end: 320. C
Capillary	SE-52	2079.	Beernaert, 1979	He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; T_end: 320. C
Capillary	SE-52	2080.	Beernaert, 1979	He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; T_end: 320. C
Capillary	SE-52	2086.	Beernaert, 1979	He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; T_end: 320. C
Capillary	SE-52	2086.	Beernaert, 1979	He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; T_end: 320. C
Capillary	SE-52	2093.	Beernaert, 1979	He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; T_end: 320. C
Capillary	SE-52	2063.99	Lee, Vassilaros, et al., 1979	12. m/0.3 mm/0.34 μm, He, 2. K/min; T_start: 50. C; T_end: 250. C
Capillary	SE-52	2048.56	Lee, Vassilaros, et al., 1979	12. m/0.28 mm/0.17 μm, He, 2. K/min; T_start: 50. C; T_end: 250. C
Capillary	SE-52	2070.	Carugno and Rossi, 1967	N2, 1.8 K/min; Column length: 65. m; Column diameter: 0.3 mm; T_start: 100. C; T_end: 300. C
Capillary	SE-52	2040.	Cantuti, Cartoni, et al., 1965	N2, 2.5 K/min; Column length: 50. m; T_start: 100. C; T_end: 300. C

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

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Column type	Active phase	I	Reference	Comment
Capillary	HP-1	2069.7	Dimitriou-Christidis, Harris, et al., 2003	30. m/0.25 mm/0.25 μm; Program: 60C => 7C/min => 225C => 15C/min => 300C(11.43min)
Capillary	HP-5	2120.64	Dimitriou-Christidis, Harris, et al., 2003	30. m/0.25 mm/0.25 μm; Program: 60C => 7C/min => 225C => 15C/min => 300C(11.43min)
Capillary	DB-5	2136.	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	OV-101	2044.	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	2089.	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	Methyl Silicone	2042.	Oda, Ichikawa, et al., 1996	Program: 50C (2min) => 20C/min => 160C => 5C/min => 210C => 10C/min => 300C
Capillary	Methyl Silicone	2061.	Oda, Ichikawa, et al., 1996	Program: 50C (2min) => 20C/min => 160C => 5C/min => 210C => 10C/min => 300C

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5	2103.	Miao and Wu, 1999	30. m/0.32 mm/0.25 μm, 50. C @ 2. min, 5. K/min; T_end: 310. C
Capillary	HP-5	2104.	Miao and Wu, 1999	30. m/0.32 mm/0.25 μm, 50. C @ 2. min, 5. K/min; T_end: 310. C
Capillary	HP-5	2109.	Miao and Wu, 1999	30. m/0.32 mm/0.25 μm, 50. C @ 2. min, 5. K/min; T_end: 310. C
Capillary	HP-5	2109.	Miao and Wu, 1999	30. m/0.32 mm/0.25 μm, 50. C @ 2. min, 5. K/min; T_end: 310. C
Capillary	HP-5	2112.	Miao and Wu, 1999	30. m/0.32 mm/0.25 μm, 50. C @ 2. min, 5. K/min; T_end: 310. C
Capillary	HP-5	2114.	Miao and Wu, 1999	30. m/0.32 mm/0.25 μm, 50. C @ 2. min, 5. K/min; T_end: 310. C
Capillary	HP-5	2134.	Miao and Wu, 1999	30. m/0.32 mm/0.25 μm, 50. C @ 2. min, 5. K/min; T_end: 310. C
Capillary	HP-5	2135.	Miao and Wu, 1999	30. m/0.32 mm/0.25 μm, 50. C @ 2. min, 5. K/min; T_end: 310. C
Capillary	Ultra-1	2085.	Elizalde-González, Hutfliess, et al., 1996	50. m/0.2 mm/0.33 μm, H2, 3. K/min, 300. C @ 35. min; T_start: 60. C
Capillary	SE-54	2096.	Harland, Cumming, et al., 1986	He, 50. C @ 2. min, 8. K/min, 250. C @ 12. min; Column length: 25. m; Column diameter: 0.32 mm
Capillary	DB-5	2103.	Quilliam, Lant, et al., 1985	30. m/0.32 mm/0.1 μm, He, 10. K/min; T_start: 60. C; T_end: 290. C

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

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5MS	2114.	Vichi, Pizzale, et al., 2005	30. m/0.25 mm/0.25 μm; Program: 40C(3min) => 4C/min => 75C => 8C/min => 250C
Capillary	Methyl Silicone	2077.	Oda, Yasuhara, et al., 1998	25. m/0.25 mm/0.25 μm, He; Program: 50 0C (2 min) 20 0C/min -> 160 0C 5 0C/min -> 210 0C 10 0C/min -> 300 0C
Capillary	Methyl Silicone	2046.	Zenkevich, 1996	Program: not specified
Capillary	OV-1	2061.	Waggott and Davies, 1984	Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

Normal alkane RI, polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	Supelcowax-10	3160.	Vichi, Pizzale, et al., 2005	30. m/0.25 mm/0.25 μm; Program: 40C(3min) => 4C/min => 75C => 8C/min => 250C
Capillary	DB-Wax	3135.	Peng, Yang, et al., 1991	Program: not specified

Lee's RI, non-polar column, isothermal

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Column type	Active phase	Temperature (C)	I	Reference
Packed	Methyl Silicone	175.	348.91	Shlyakhov, 1984
Packed	Methyl Silicone	200.	348.12	Shlyakhov, 1984
Packed	Methyl Silicone	200.	350.72	Shlyakhov, 1984
Packed	Methyl Silicone	235.	351.42	Shlyakhov, 1984
Packed	Methyl Silicone	240.	350.67	Shlyakhov, 1984
Packed	Methyl Silicone	260.	351.74	Shlyakhov, 1984
Packed	Methyl Silicone	300.	353.42	Shlyakhov, 1984

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

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Column type	Active phase	I	Reference	Comment
Capillary	PE-5	351.6	Jamoussi, Kanzari, et al., 2007	20. m/0.18 mm/0.18 μm, 50. C @ 1.5 min, 8. K/min; T_end: 345. C
Capillary	HP-5	340.0	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	340.	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	5 % Phenyl methyl siloxane	351.22	Skrbic and Onjia, 2006	2. K/min; T_start: 50. C; T_end: 250. C
Capillary	5 % Phenyl methyl siloxane	352.80	Skrbic and Onjia, 2006	80. C @ 2. min, 8. K/min, 300. C @ 10. min
Capillary	HP-5	352.67	Pedersen, Durant, et al., 2005	30. m/0.25 mm/0.25 μm, Helium, 50. C @ 1.5 min, 6. K/min, 310. C @ 10. min
Capillary	HP-5	351.91	Marynowski, Pieta, et al., 2004	60. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 35. C; T_end: 300. C
Capillary	DB-5MS	352.54	Chen, Keeran, et al., 2002	30. m/0.25 mm/0.5 μm, 40. C @ 1. min, 10. K/min; T_end: 310. C
Capillary	DB-5MS	352.72	Chen, Keeran, et al., 2002	30. m/0.25 mm/0.5 μm, 40. C @ 1. min, 4. K/min; T_end: 310. C
Capillary	PTE-5	352.85	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	352.13	Miao and Wu, 1999	50. C @ 2. min, 5. K/min; T_end: 310. C
Capillary	HP-5	352.18	Miao and Wu, 1999	50. C @ 2. min, 5. K/min; T_end: 310. C
Capillary	HP-5	352.27	Miao and Wu, 1999	50. C @ 2. min, 5. K/min; T_end: 310. C
Capillary	HP-5	352.29	Miao and Wu, 1999	50. C @ 2. min, 5. K/min; T_end: 310. C
Capillary	HP-5	352.36	Miao and Wu, 1999	50. C @ 2. min, 5. K/min; T_end: 310. C
Capillary	HP-5	352.41	Miao and Wu, 1999	50. C @ 2. min, 5. K/min; T_end: 310. C
Capillary	HP-5	352.65	Miao and Wu, 1999	50. C @ 2. min, 5. K/min; T_end: 310. C
Capillary	HP-5	352.65	Miao and Wu, 1999	50. C @ 2. min, 5. K/min; T_end: 310. C
Capillary	HP-5	352.33	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	352.37	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	346.6	Durlak, Biswas, et al., 1998	30. m/0.25 mm/0.25 μm, 15. K/min; T_start: 50. C; T_end: 300. C
Capillary	DB-5	346.6	Durlak, Biswas, et al., 1998	30. m/0.25 mm/0.25 μm, 15. K/min; T_start: 50. C; T_end: 300. C
Capillary	SE-52	351.86	Wang, Peng, et al., 1997	4. K/min; Column length: 30. m; Column diameter: 0.30 mm; T_start: 40. C; T_end: 250. C
Capillary	SE-54	351.88	Chen, 1996	4. K/min; Column length: 30. m; Column diameter: 0.25 mm; T_start: 50. C; T_end: 300. C
Capillary	DB-5	351.51	Williams and Horne, 1995	He, 60. C @ 2. min, 5. K/min; Column length: 25. m; Column diameter: 0.3 mm; T_end: 270. C
Capillary	SE-52	353.40	Shaogang and Xiaobai, 1994	40. C @ 2. min, 4. K/min, 300. C @ 20. min; Column length: 30. m; Column diameter: 0.25 mm
Capillary	DB-5	351.4	Donnelly, Abdel-Hamid, et al., 1993	30. m/0.32 mm/0.25 μm, He, 40. C @ 3. min, 8. K/min, 285. C @ 29.5 min
Capillary	SPB-5	352.9	Knobloch and Engewald, 1993	40. C @ 2. min, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; T_end: 300. C
Capillary	SE-54	352.52	Guillén, Blanco, et al., 1989	20. m/0.22 mm/0.20 μm, He, 4. K/min; T_start: 50. C; T_end: 300. C
Capillary	SE-52	351.63	Hasegawa, Muragishi, et al., 1988	3. K/min; Column length: 25. m; Column diameter: 0.25 mm; T_start: 130. C; T_end: 260. C
Capillary	DB-5	351.87	Sye, Lin, et al., 1988	30. m/0.32 mm/0.25 μm, 80. C @ 1. min, 3. K/min; T_end: 290. C
Capillary	DB-5	351.91	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	351.22	Boenke and Ballschmiter, 1987	Hydrogen, 3. K/min; Column length: 12. m; T_start: 120. C; T_end: 285. C
Capillary	DB-5	352.77	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	361.6	Quilliam, Lant, et al., 1985	30. m/0.32 mm/0.1 μm, He, 10. K/min; T_start: 60. C; T_end: 290. C
Capillary	DB-5	365.4	Quilliam, Lant, et al., 1985	30. m/0.32 mm/0.1 μm, He, 10. K/min; T_start: 60. C; T_end: 290. C
Capillary	DB-5	352.09	Tong, Centen, et al., 1985	He, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; T_start: 90. C; T_end: 325. C
Packed	Methyl Silicone	347.41	Shlyakhov, 1984	2. K/min; T_start: 100. C; T_end: 275. C
Capillary	DB-5	352.163	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	SE-52	351.51	Vassilaros, Kong, et al., 1982	20. m/0.30 mm/0.25 μm, H2, 40. C @ 2. min, 4. K/min; T_end: 265. C
Capillary	SE-52	351.22	Lee, Vassilaros, et al., 1979	12. m/0.3 mm/0.34 μm, He, 2. K/min; T_start: 50. C; T_end: 250. C

Lee's RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	DB-5	351.	Fuentes, Font, et al., 2007	Column length: 60. m; Program: not specified
Capillary	HP-5MS	352.41	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	351.91	Wang, Li, et al., 2007, 2	30. m/0.25 mm/0.25 μm, He; Program: not specified
Capillary	HP-5MS	352.41	Wang, Li, et al., 2007, 2	30. m/0.25 mm/0.25 μm, He; Program: not specified
Capillary	5 % Phenyl methyl siloxane	348.10	Skrbic and Onjia, 2006	Program: 70 0C (2 min) 30 0C/min -> 150 0C 5 0C/min -> 200 0C 4 0C/min -> 310 0C (5 min)
Capillary	DB-5MS	346.3	Aracil, Font, et al., 2005	Column length: 60. m; Column diameter: 0.25 mm; Program: not specified
Capillary	HP-5MS	400.00	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	348.28	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	LM-5	348.46	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	346.0	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	Ultra-1	348.1	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	Ultra-1	350.3	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	Ultra-1	351.2	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	352.8	Lundstedt, Haglund, et al., 2003	30. m/0.25 mm/0.25 μm; Program: not specified
Capillary	LM-5	348.43	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	LM-5	348.46	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	350.71	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	351.22	Wang, Peng, et al., 1997	Column length: 30. m; Column diameter: 0.30 mm; Program: not specified
Capillary	DB-5	350.52	Zamperlini, Silva, et al., 1997	30. m/0.25 mm/0.25 μm, He; Program: 90C (1min) => 10C/min => 120C => 4C/min => 310C (20min)
Capillary	DB-5	350.79	Zamperlini, Silva, et al., 1997	30. m/0.25 mm/0.25 μm, He; Program: 90C (1min) => 10C/min => 120C => 4C/min => 310C (20min)
Capillary	SE-54	351.22	Chen, 1996	Column length: 30. m; Column diameter: 0.25 mm; Program: not specified
Capillary	SE-52	351.51	Shaogang and Xiaobai, 1994	Column length: 30. m; Column diameter: 0.25 mm; Program: not specified
Capillary	CP Sil 8 CB	351.47	Bemgard, Colmsjo, et al., 1992	Column length: 25. m; Column diameter: 0.32 mm; Program: 140C (2min) => (rapidly) => 200C(2min) => 5C/min => 370C
Capillary	XTI-5	351.88	Bemgard, Colmsjo, et al., 1992	Column length: 15. m; Column diameter: 0.28 mm; Program: 140C (2min) => (rapidly) => 200C(2min) => 5C/min => 370C
Capillary	SE-54	350.83	Guillen, Iglesias, et al., 1992	Program: not specified
Capillary	DB-5	353.2	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	SE-54	352.3	Peterman and Delfino, 1990	15. m/0.25 mm/0.25 μm, He; Program: 125 0C (15 min) 1 0C/min -> 131 0C 4 0C/min -> 247 0C 8 0C/min -> 280 0C (15 min)
Capillary	DB-5	348.09	Takada, Onda, et al., 1990	He; Program: 70C(2min) => 30C/min => 150C => 5C/min => 200C => 4C/min => 310C
Capillary	DB-5	351.22	Naikwadi, Charbonneau, et al., 1987	Column length: 30. m; Column diameter: 0.32 mm; Program: not specified
Capillary	DB-5	351.22	Naikwadi, Charbonneau, et al., 1987	Column length: 30. m; Column diameter: 0.32 mm; Program: not specified
Capillary	DB-5	351.98	Naikwadi, Charbonneau, et al., 1987	Column length: 30. m; Column diameter: 0.32 mm; Program: not specified
Capillary	DB-5	352.88	Naikwadi, Charbonneau, et al., 1987	Column length: 30. m; Column diameter: 0.32 mm; Program: not specified
Capillary	OV-101	351.8	Tucminen, Wickstrom, et al., 1986	Program: not specified
Capillary	DB-5	351.22	Tong, Centen, et al., 1985	He; Column length: 30. m; Column diameter: 0.25 mm; Program: not specified
Capillary	SE-52	347.32	Shlyakhov, 1984	Program: not specified
Capillary	SE-52	347.87	Shlyakhov, 1984	Program: not specified
Capillary	SE-52	348.49	Shlyakhov, 1984	Program: not specified
Capillary	SE-52	349.15	Shlyakhov, 1984	Program: not specified
Capillary	SE-52	350.66	Shlyakhov, 1984	Program: not specified
Capillary	SE-52	351.22	Shlyakhov, 1984	Program: not specified
Capillary	SE-52	352.30	Shlyakhov, 1984	Program: not specified
Capillary	SE-52	353.34	Shlyakhov, 1984	Program: not specified

References

Go To: Top, Gas phase thermochemistry data, IR Spectrum, Gas Chromatography, Notes

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Notes

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Symbols used in this document:

C_p,gas Constant pressure heat capacity of gas

Δ_fH°_gas Enthalpy of formation of gas at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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C_p,gas	Constant pressure heat capacity of gas
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions