p-Xylene

Formula: C₈H₁₀
Molecular weight: 106.1650
IUPAC Standard InChI: InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3
IUPAC Standard InChIKey: URLKBWYHVLBVBO-UHFFFAOYSA-N
CAS Registry Number: 106-42-3
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:
- 1,4-Di(methyl-d3)benzene-d4
Other names: Benzene, 1,4-dimethyl-; p-Dimethylbenzene; p-Xylol; 1,4-Dimethylbenzene; 1,4-Xylene; p-Methyltoluene; para-Xylene; Chromar; Scintillar; 4-Methyltoluene; NSC 72419; UN 1307; 1,4-dimethyl-benzene ( p-xylene)
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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes

Data compiled as indicated in comments:
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	4.29 ± 0.24	kcal/mol	Ccb	Prosen, Johnson, et al., 1946	ALS

Constant pressure heat capacity of gas

C_p,gas (cal/mol*K)	Temperature (K)	Reference	Comment
10.68	50.	Chao J., 1986	Among the known statistically calculated values [ Pitzer K.S., 1943, Taylor W.J., 1946, Draeger J.A., 1981, Draeger, 1985], the recommended S(T) and Cp(T) values are in best agreement with the experimental data. With the exception of [ Draeger J.A., 1981], all calculations agree within 1.2 J/molK for S(T) and Cp(T). Discrepancy with Cp(1000 K) calculated by [ Draeger J.A., 1981] amounts to 4.7 J/molK.; GT
13.14	100.
16.68	150.
20.79	200.
27.65	273.15
30.11	298.15
30.31	300.
40.01	400.
48.59	500.
55.74	600.
61.69	700.
66.66	800.
70.84	900.
74.43	1000.
77.49	1100.
80.11	1200.
82.39	1300.
84.32	1400.
86.02	1500.

Constant pressure heat capacity of gas

C_p,gas (cal/mol*K)	Temperature (K)	Reference	Comment
39.00 ± 0.40	393.	Hossenlopp I.A., 1981	Please also see Pitzer K.S., 1943, Taylor W.J., 1946.; GT
39.799 ± 0.079	398.15
42.022 ± 0.084	423.15
42.60 ± 0.40	428.
44.312 ± 0.088	448.15
45.20 ± 0.40	463.
46.408 ± 0.093	473.15
48.499 ± 0.098	498.15
50.45 ± 0.10	523.15

Condensed phase thermochemistry data

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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
Δ_fH°_liquid	-5.84 ± 0.24	kcal/mol	Ccb	Prosen, Johnson, et al., 1946	ALS
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_liquid	-1087.82 ± 0.12	kcal/mol	Cm	Coops, Mulder, et al., 1946	Reanalyzed by Cox and Pilcher, 1970, Original value = -1086.94 ± 0.12 kcal/mol; Corresponding Δ_fHº_liquid = -6.16 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δ_cH°_liquid	-1088.16 ± 0.22	kcal/mol	Ccb	Prosen, Johnson, et al., 1946	Corresponding Δ_fHº_liquid = -5.82 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δ_cH°_liquid	-1087.9	kcal/mol	Ccb	Richards and Barry, 1915	At 291 K; Corresponding Δ_fHº_liquid = -6.09 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δ_cH°_liquid	-1091.3	kcal/mol	Ccb	Richards and Jesse, 1910	At 293 K; Corresponding Δ_fHº_liquid = -2.70 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity	Value	Units	Method	Reference	Comment
S°_liquid	59.0712	cal/mol*K	N/A	Messerly, Finke, et al., 1988	DH
S°_liquid	58.200	cal/mol*K	N/A	Pitzer and Scott, 1943	DH
S°_liquid	60.49	cal/mol*K	N/A	Huffman, Parks, et al., 1930	Extrapolation below 90 K, 65.19 J/mol*K.; DH

Constant pressure heat capacity of liquid

C_p,liquid (cal/mol*K)	Temperature (K)	Reference	Comment
43.5514	298.15	Messerly, Finke, et al., 1988	T = 10 to 400 K.; DH
43.893	298.15	Tardajos, Aicart, et al., 1986	DH
43.4840	298.15	Fortier and Benson, 1979	DH
43.48	298.15	Ott, Goates, et al., 1979	T = 288.15 to 328.15 K.; DH
43.4498	298.15	Fortier and Benson, 1977	DH
43.391	298.15	Wilhelm, Grolier, et al., 1977	DH
43.43	298.15	Hyder Khan and Subrahmanyam, 1971	T = 298; 313 K.; DH
47.49	336.	Swietoslawski and Zielenkiewicz, 1958	Mean value 21 to 106 C.; DH
43.40	298.	Corruccini and Ginnings, 1947	T = 273 to 573 K.; DH
44.19	298.	Kurbatov, 1947	T = 15 to 132 C, mean Cp, three temperatures.; DH
43.920	298.15	Pitzer and Scott, 1943	T = 14 to 360 K.; DH
43.09	299.0	Huffman, Parks, et al., 1930	T = 92 to 299 K. Value is unsmoothed experimental datum.; DH
42.21	303.	Willams and Daniels, 1924	T = 303 to 348 K. Equation only.; DH

Phase change data

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Data compiled as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
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
T_boil	411.4 ± 0.5	K	AVG	N/A	Average of 59 out of 65 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
T_fus	286.3 ± 0.2	K	AVG	N/A	Average of 18 out of 21 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
T_triple	286.400	K	N/A	Messerly, Finke, et al., 1988, 2	Uncertainty assigned by TRC = 0.01 K; TRC
T_triple	286.3	K	N/A	Huffman, Parks, et al., 1930, 2	Uncertainty assigned by TRC = 0.3 K; TRC
Quantity	Value	Units	Method	Reference	Comment
T_c	617. ± 3.	K	AVG	N/A	Average of 12 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
P_c	34. ± 2.	atm	AVG	N/A	Average of 6 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
V_c	0.378	l/mol	N/A	Tsonopoulos and Ambrose, 1995
Quantity	Value	Units	Method	Reference	Comment
ρ_c	2.65 ± 0.02	mol/l	N/A	Tsonopoulos and Ambrose, 1995
ρ_c	2.661	mol/l	N/A	Akhundov and Imanov, 1970	Uncertainty assigned by TRC = 0.05 mol/l; TRC
ρ_c	2.644	mol/l	N/A	Simon, 1957	Uncertainty assigned by TRC = 0.04 mol/l; TRC
Quantity	Value	Units	Method	Reference	Comment
Δ_vapH°	10. ± 1.	kcal/mol	AVG	N/A	Average of 14 values; Individual data points

Enthalpy of vaporization

Δ_vapH (kcal/mol)	Temperature (K)	Method	Reference	Comment
8.525	411.5	N/A	Majer and Svoboda, 1985
9.63	353.	N/A	Hossenlopp and Archer, 1988	AC
8.91	426.	A	Stephenson and Malanowski, 1987	Based on data from 411. to 463. K.; AC
8.63	475.	A	Stephenson and Malanowski, 1987	Based on data from 460. to 553. K.; AC
8.65	566.	A	Stephenson and Malanowski, 1987	Based on data from 551. to 616. K.; AC
10.1	301.	IP,EB	Stephenson and Malanowski, 1987	Based on data from 286. to 453. K. See also Osborn and Douslin, 1974.; AC
8.60 ± 0.02	411.	C	Natarajan and Viswanath, 1985	AC
8.25 ± 0.02	436.	C	Natarajan and Viswanath, 1985	AC
7.29 ± 0.02	484.	C	Natarajan and Viswanath, 1985	AC
5.90 ± 0.02	540.	C	Natarajan and Viswanath, 1985	AC
8.91	395.	N/A	Castellari, Francesconi, et al., 1982	Based on data from 380. to 410. K.; AC
9.94	318.	N/A	Gaw and Swinton, 1968	Based on data from 303. to 343. K.; AC
9.58	347.	MM	Willingham, Taylor, et al., 1945	Based on data from 332. to 413. K. See also Forziati, Norris, et al., 1949.; AC

Enthalpy of vaporization

Δ_vapH = A exp(-βT_r) (1 − T_r)^β
Δ_vapH = Enthalpy of vaporization (at saturation pressure) (kcal/mol)
T_r = reduced temperature (T / T_c)

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Temperature (K)	A (kcal/mol)	β	T_c (K)	Reference	Comment
298. to 440.	13.91	0.2768	616.2	Majer and Svoboda, 1985

Antoine Equation Parameters

log₁₀(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)

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Temperature (K)	A	B	C	Reference	Comment
286.43 to 452.38	4.13982	1474.403	-55.377	Osborn and Douslin, 1974	Coefficents calculated by NIST from author's data.
420.00 to 600.00	4.50373	1788.91	-13.902	Ambrose, Broderick, et al., 1967	Coefficents calculated by NIST from author's data.
331.44 to 412.44	4.10567	1450.688	-58.16	Williamham, Taylor, et al., 1945
298. to 333.	4.44318	1644.214	-40.229	Pitzer and Scott, 1943	Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

Δ_subH (kcal/mol)	Temperature (K)	Method	Reference	Comment
14.2	271.	N/A	Stephenson and Malanowski, 1987	Based on data from 247. to 286. K. See also Osborn and Douslin, 1974.; AC
14.5	286.	B	Hessler and Lichtenstein, 1986	AC

Enthalpy of fusion

Δ_fusH (kcal/mol)	Temperature (K)	Reference	Comment
4.091172	286.405	Messerly, Finke, et al., 1988	DH
4.0870	286.3	Corruccini and Ginnings, 1947	DH
4.0901	286.39	Pitzer and Scott, 1943	DH
4.089	286.3	Domalski and Hearing, 1996	AC
4.0471	286.3	Huffman, Parks, et al., 1930	DH

Entropy of fusion

Δ_fusS (cal/mol*K)	Temperature (K)	Reference	Comment
14.29	286.405	Messerly, Finke, et al., 1988	DH
14.28	286.3	Corruccini and Ginnings, 1947	DH
14.28	286.39	Pitzer and Scott, 1943	DH
14.13	286.3	Huffman, Parks, et al., 1930	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:

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes

Data compiled as indicated in comments:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
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

C₃H₉Si⁺ + p-Xylene = (C₃H₉Si⁺ • )

By formula: C₃H₉Si⁺ + C₈H₁₀ = (C₃H₉Si⁺ • C₈H₁₀)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	28.2	kcal/mol	PHPMS	Wojtyniak and Stone, 1986	gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)C6H6, Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	35.1	cal/mol*K	N/A	Wojtyniak and Stone, 1986	gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)C6H6, Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
11.8	468.	PHPMS	Wojtyniak and Stone, 1986	gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)C6H6, Entropy change calculated or estimated; M

C₈H₉^- + = p-Xylene

By formula: C₈H₉^- + H⁺ = C₈H₁₀

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	381.9 ± 2.4	kcal/mol	G+TS	Bartmess, Scott, et al., 1979	gas phase; value altered from reference due to change in acidity scale; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	374.8 ± 2.3	kcal/mol	IMRE	Bartmess, Scott, et al., 1979	gas phase; value altered from reference due to change in acidity scale; B

C₆H₇N⁺ + p-Xylene = (C₆H₇N⁺ • )

By formula: C₆H₇N⁺ + C₈H₁₀ = (C₆H₇N⁺ • C₈H₁₀)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	14.2	kcal/mol	PHPMS	Meot-Ner (Mautner) and El-Shall, 1986	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	26.	cal/mol*K	PHPMS	Meot-Ner (Mautner) and El-Shall, 1986	gas phase; M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
5.8	322.	PHPMS	Meot-Ner (Mautner) and El-Shall, 1986	gas phase; M

C₈H₁₀⁺ + p-Xylene = (C₈H₁₀⁺ • )

By formula: C₈H₁₀⁺ + C₈H₁₀ = (C₈H₁₀⁺ • C₈H₁₀)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	15.6	kcal/mol	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	32.	cal/mol*K	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; M

C₉H₁₂⁺ + p-Xylene = (C₉H₁₂⁺ • )

By formula: C₉H₁₂⁺ + C₈H₁₀ = (C₉H₁₂⁺ • C₈H₁₀)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	14.9	kcal/mol	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	28.	cal/mol*K	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; M

+ p-Xylene = ( • )

By formula: Cl^- + C₈H₁₀ = (Cl^- • C₈H₁₀)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	3.90	kcal/mol	TDEq	French, Ikuta, et al., 1982	gas phase; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
3.9	300.	PHPMS	French, Ikuta, et al., 1982	gas phase; M

( • p-Xylene ) + = ( • 2)

By formula: (Cr⁺ • C₈H₁₀) + C₈H₁₀ = (Cr⁺ • 2C₈H₁₀)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	50.7 ± 6.9	kcal/mol	RAK	Lin and Dunbar, 1997	RCD

+ p-Xylene = ( • )

By formula: Cr⁺ + C₈H₁₀ = (Cr⁺ • C₈H₁₀)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	43.0 ± 4.5	kcal/mol	RAK	Lin and Dunbar, 1997	RCD

Henry's Law data

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Data compiled by: Rolf Sander

Henry's Law constant (water solution)

k_H(T) = k°_H exp(d(ln(k_H))/d(1/T) ((1/T) - 1/(298.15 K)))
k°_H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(k_H))/d(1/T) = Temperature dependence constant (K)

k°_H (mol/(kg*bar))	d(ln(k_H))/d(1/T) (K)	Method	Reference	Comment
0.13	3800.	L	N/A
0.17	4500.	M	N/A
0.12	3000.	X	N/A
0.16		Q	N/A	missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.12	5300.	X	N/A
0.13	3500.	X	N/A
0.14		L	N/A
0.16		V	N/A
0.23	5400.	M	N/A
0.16		V	Bohon and Claussen, 1951

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
MM - Michael M. Meot-Ner (Mautner)
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 C₈H₁₀⁺ (ion structure unspecified)

Quantity	Value	Units	Method	Reference	Comment
IE (evaluated)	8.44 ± 0.05	eV	N/A	N/A	L
Quantity	Value	Units	Method	Reference	Comment
Proton affinity (review)	189.9	kcal/mol	N/A	Hunter and Lias, 1998	HL
Quantity	Value	Units	Method	Reference	Comment
Gas basicity	183.3	kcal/mol	N/A	Hunter and Lias, 1998	HL

Electron affinity determinations

EA (eV)	Reference	Comment
0.001519 ± 0.000087	Hammer, Diri, et al., 2003	B

Proton affinity at 298K

Proton affinity (kcal/mol)	Reference	Comment
189.7	Aue, Guidoni, et al., 2000	Experimental literature data re-evaluated by the authors using ab initio protonation entropies; MM
188.9 ± 0.26	Fernandez, Jennings, et al., 1989	T = 370 - 750K; Reference Sprot(CH3)2O = 16.5 J/mol K in Hunter and Lias, 1998 needs to be re-evaluated; MM

Gas basicity at 298K

Gas basicity (review) (kcal/mol)	Reference	Comment
183.3	Aue, Guidoni, et al., 2000	Experimental literature data re-evaluated by the authors using ab initio protonation entropies; MM
184.3 ± 0.33	Fernandez, Jennings, et al., 1989	T = 370 - 750K; Reference Sprot(CH3)2O = 16.5 J/mol K in Hunter and Lias, 1998 needs to be re-evaluated; MM

Protonation entropy at 298K

Protonation entropy (cal/mol*K)	Reference	Comment
10.6	Fernandez, Jennings, et al., 1989	T = 370 - 750K; Reference Sprot(CH3)2O = 16.5 J/mol K in Hunter and Lias, 1998 needs to be re-evaluated; MM

Ionization energy determinations

IE (eV)	Method	Reference	Comment
8.52 ± 0.01	EQ	Lias and Ausloos, 1978	LLK
8.44	PE	Bock, Kaim, et al., 1978	LLK
8.80 ± 0.05	EI	Loudon and Mazengo, 1974	LLK
8.37 ± 0.02	PE	Maier and Turner, 1973	LLK
8.52	CTS	Kinoshita, 1962	RDSH
8.445	PI	Bralsford, Harris, et al., 1960	RDSH
8.44 ± 0.02	PI	Vilesov and Terenin, 1957	RDSH
8.445 ± 0.015	PI	Watanabe, 1954	RDSH
8.48	S	Hammond, Price, et al., 1950	RDSH
8.44	PE	Howell, Goncalves, et al., 1984	Vertical value; LBLHLM
8.43	PE	Koenig, Tuttle, et al., 1974	Vertical value; LLK
8.6 ± 0.03	PE	Klessinger, 1972	Vertical value; LLK

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
C₅H₅⁺	16.3 ± 0.2	C₂H₂+CH₃	EI	Tajima and Tsuchiya, 1973	LLK
C₇H₇⁺	11.5 ± 0.3	?	EI	McLafferty and Winkler, 1974	LLK
C₇H₇⁺	11.9 ± 0.2	CH₃	EI	Loudon and Mazengo, 1974	LLK
C₇H₇⁺	11.05 ± 0.05	CH₃	PI	Akopyan and Vilesov, 1968	RDSH
C₇H₇⁺	11.3 ± 0.1	CH₃	EI	Nounou, 1966	RDSH
C₈H₉⁺	12.1 ± 0.2	H	EI	Loudon and Mazengo, 1974	LLK
C₈H₉⁺	11.35 ± 0.05	H	PI	Akopyan and Vilesov, 1968	RDSH
C₈H₉⁺	11.9 ± 0.1	H	EI	Tait, Shannon, et al., 1962	RDSH

De-protonation reactions

C₈H₉^- + = p-Xylene

By formula: C₈H₉^- + H⁺ = C₈H₁₀

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	381.9 ± 2.4	kcal/mol	G+TS	Bartmess, Scott, et al., 1979	gas phase; value altered from reference due to change in acidity scale; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	374.8 ± 2.3	kcal/mol	IMRE	Bartmess, Scott, et al., 1979	gas phase; value altered from reference due to change in acidity scale; B

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes

Data compiled as indicated in comments:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
RCD - 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

C₃H₉Si⁺ + p-Xylene = (C₃H₉Si⁺ • )

By formula: C₃H₉Si⁺ + C₈H₁₀ = (C₃H₉Si⁺ • C₈H₁₀)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	28.2	kcal/mol	PHPMS	Wojtyniak and Stone, 1986	gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)C6H6, Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	35.1	cal/mol*K	N/A	Wojtyniak and Stone, 1986	gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)C6H6, Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
11.8	468.	PHPMS	Wojtyniak and Stone, 1986	gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)C6H6, Entropy change calculated or estimated; M

C₆H₇N⁺ + p-Xylene = (C₆H₇N⁺ • )

By formula: C₆H₇N⁺ + C₈H₁₀ = (C₆H₇N⁺ • C₈H₁₀)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	14.2	kcal/mol	PHPMS	Meot-Ner (Mautner) and El-Shall, 1986	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	26.	cal/mol*K	PHPMS	Meot-Ner (Mautner) and El-Shall, 1986	gas phase; M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
5.8	322.	PHPMS	Meot-Ner (Mautner) and El-Shall, 1986	gas phase; M

C₈H₁₀⁺ + p-Xylene = (C₈H₁₀⁺ • )

By formula: C₈H₁₀⁺ + C₈H₁₀ = (C₈H₁₀⁺ • C₈H₁₀)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	15.6	kcal/mol	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	32.	cal/mol*K	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; M

C₉H₁₂⁺ + p-Xylene = (C₉H₁₂⁺ • )

By formula: C₉H₁₂⁺ + C₈H₁₀ = (C₉H₁₂⁺ • C₈H₁₀)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	14.9	kcal/mol	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	28.	cal/mol*K	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; M

+ p-Xylene = ( • )

By formula: Cl^- + C₈H₁₀ = (Cl^- • C₈H₁₀)

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	3.90	kcal/mol	TDEq	French, Ikuta, et al., 1982	gas phase; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
3.9	300.	PHPMS	French, Ikuta, et al., 1982	gas phase; M

+ p-Xylene = ( • )

By formula: Cr⁺ + C₈H₁₀ = (Cr⁺ • C₈H₁₀)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	43.0 ± 4.5	kcal/mol	RAK	Lin and Dunbar, 1997	RCD

( • p-Xylene ) + = ( • 2)

By formula: (Cr⁺ • C₈H₁₀) + C₈H₁₀ = (Cr⁺ • 2C₈H₁₀)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	50.7 ± 6.9	kcal/mol	RAK	Lin and Dunbar, 1997	RCD

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes

Data compiled by: Coblentz Society, Inc.

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

Data compiled by: Pamela M. Chu, Franklin R. Guenther, George C. Rhoderick, and Walter J. Lafferty

gas; IFS66V (Bruker); 3-Term B-H Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm^-1 resolution
gas; IFS66V (Bruker); Boxcar Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm^-1 resolution
gas; IFS66V (Bruker); Happ Genzel Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm^-1 resolution
gas; IFS66V (Bruker); NB Strong Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm^-1 resolution
gas; IFS66V (Bruker); Triangular Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm^-1 resolution

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Gas Chromatography, References, Notes

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

Spectrum

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Additional Data

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Owner	NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.
Origin	Japan AIST/NIMC Database- Spectrum MS-NW- 48
NIST MS number	228010

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.

Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), References, Notes

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

Kovats' RI, non-polar column, isothermal

View large format table.

Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	HP-1	0.	859.	Wang, Liu, et al., 2005	30. m/0.25 mm/0.25 μm
Capillary	HP-1	10.	848.4	Wang, Liu, et al., 2005	30. m/0.25 mm/0.25 μm
Capillary	HP-1	20.	855.2	Wang, Liu, et al., 2005	30. m/0.25 mm/0.25 μm
Capillary	HP-1	30.	852.1	Wang, Liu, et al., 2005	30. m/0.25 mm/0.25 μm
Capillary	HP-1	40.	850.5	Wang, Liu, et al., 2005	30. m/0.25 mm/0.25 μm
Capillary	HP-1	50.	852.3	Wang, Liu, et al., 2005	30. m/0.25 mm/0.25 μm
Capillary	HP-1	60.	856.7	Wang, Liu, et al., 2005	30. m/0.25 mm/0.25 μm
Capillary	HP-5	100.	883.2	Pérez-Parajón, Santiuste, et al., 2004	60. m/0.25 mm/0.25 μm
Capillary	HP-5	120.	888.1	Pérez-Parajón, Santiuste, et al., 2004	60. m/0.25 mm/0.25 μm
Capillary	Methyl Silicone	150.	874.28	Berezkin, Korolev, et al., 2002	He; Column length: 15. m; Column diameter: 0.24 mm
Capillary	Squalane	50.	847.6	Wick, Siepmann, et al., 2002	30. m/0.25 mm/0.25 μm, He
Capillary	Squalane	60.	850.2	Wick, Siepmann, et al., 2002	30. m/0.25 mm/0.25 μm, He
Capillary	Squalane	70.	852.7	Wick, Siepmann, et al., 2002	30. m/0.25 mm/0.25 μm, He
Capillary	Squalane	80.	855.3	Wick, Siepmann, et al., 2002	30. m/0.25 mm/0.25 μm, He
Capillary	Squalane	90.	857.8	Wick, Siepmann, et al., 2002	30. m/0.25 mm/0.25 μm, He
Capillary	Squalane	100.	860.9	Wick, Siepmann, et al., 2002	30. m/0.25 mm/0.25 μm, He
Capillary	Squalane	110.	863.5	Wick, Siepmann, et al., 2002	30. m/0.25 mm/0.25 μm, He
Capillary	HP-101	60.	857.70	Garay, 2000	50. m/0.2 mm/0.2 μm, H2
Capillary	OV-1	100.	867.5	Zhu, Zhang, et al., 1999	Column length: 50. m; Column diameter: 0.25 mm
Capillary	OV-1	150.	876.	Zhang, Chen, et al., 1997	25. m/0.2 mm/0.33 μm, N2
Capillary	OV-1	150.	876.	Zhang, Chen, et al., 1997	25. m/0.2 mm/0.33 μm, N2
Capillary	OV-1	150.	876.	Zhang, Chen, et al., 1997	25. m/0.2 mm/0.33 μm, N2
Capillary	CP Sil 2	60.	863.3	Estel, Mohnke, et al., 1995	100. m/0.25 mm/0.25 μm
Capillary	CP Sil 2	80.	871.2	Estel, Mohnke, et al., 1995	100. m/0.25 mm/0.25 μm
Capillary	DB-1	60.	857.1	Krupcik, Skacani, et al., 1994	H2; Phase thickness: 0.25 μm
Capillary	PONA	60.	857.0	Krupcik, Skacani, et al., 1994	H2; Phase thickness: 0.5 μm
Capillary	PONA	60.	857.4	Krupcik, Skacani, et al., 1994	H2; Phase thickness: 0.5 μm
Capillary	DB-1	60.	857.6	Krupcik, Skacani, et al., 1994	H2; Phase thickness: 1. μm
Capillary	OV-101	60.	856.9	Krupcik, Skacani, et al., 1994	H2; Phase thickness: 0.2 μm
Packed	Squalane	100.	863.	Hongwei and Zhide, 1992	H2, Silanized white support (80-100 mesh); Column length: 3. m
Capillary	HP-1	60.	857.	Zhang, Li, et al., 1992	N2; Column length: 25. m; Column diameter: 0.20 mm
Capillary	HP-1	60.	857.	Zhang, Li, et al., 1992	N2; Column length: 25. m; Column diameter: 0.20 mm
Capillary	HP-1	100.	867.	Zhang, Li, et al., 1992	N2; Column length: 25. m; Column diameter: 0.20 mm
Capillary	HP-1	100.	867.	Zhang, Li, et al., 1992	N2; Column length: 25. m; Column diameter: 0.20 mm
Capillary	SPB-1	60.	856.	Castello, Vezzani, et al., 1991	N2; Column length: 60. m; Column diameter: 0.75 mm
Capillary	OV-1	100.	866.8	Engewald and Maurer, 1990	Column length: 60. m; Column diameter: 0.32 mm
Capillary	OV-1	120.	871.3	Engewald and Maurer, 1990	Column length: 60. m; Column diameter: 0.32 mm
Capillary	OV-1	90.	866.7	Maurer, Engewald, et al., 1990	Column length: 50. m; Column diameter: 0.32 mm
Capillary	OV-101	100.	866.	Dimov and Mekenyan, 1989	Column length: 50. m; Column diameter: 0.25 mm
Capillary	OV-1	60.	866.	Engewald, Maurer, et al., 1989
Capillary	OV-1	45.	854.2	Guan, Kiraly, et al., 1989	25. m/0.31 mm/0.52 μm, He
Capillary	OV-1	65.	859.	Guan, Kiraly, et al., 1989	25. m/0.31 mm/0.52 μm, He
Capillary	Squalane	50.	849.1	Guan, Kiraly, et al., 1989	50. m/0.22 mm/0.21 μm, He
Capillary	Squalane	70.	854.	Guan, Kiraly, et al., 1989	50. m/0.22 mm/0.21 μm, He
Capillary	OV-101	100.	866.	Matisová, Kovacicová, et al., 1989	He; Column length: 50. m; Column diameter: 0.20 mm
Packed	Squalane	70.	856.	Safina, Poznyak, et al., 1989	He, Risorb (0.2-0.3 mm); Column length: 2. m
Capillary	HP-1	60.	879.	Bangjie, Yijian, et al., 1988	N2; Column length: 25. m; Column diameter: 0.20 mm
Capillary	HP-1	60.	881.	Bangjie, Yijian, et al., 1988	N2; Column length: 25. m; Column diameter: 0.20 mm
Capillary	Squalane	50.	848.	Lunskii and Paizanskaya, 1988	He; Column length: 50. m; Column diameter: 0.22 mm
Capillary	Squalane	70.	853.1	Lunskii and Paizanskaya, 1988	He; Column length: 50. m; Column diameter: 0.22 mm
Capillary	OV-101	120.	871.	Matisová, Moravcová, et al., 1988	N2; Column length: 278. m; Column diameter: 0.25 mm
Capillary	Apolane	120.	890.	Matisová, Moravcová, et al., 1988	N2; Column length: 200. m; Column diameter: 0.25 mm
Capillary	OV-101	100.	866.	Matisová, Rukríglová, et al., 1988	H2; Column length: 278. m; Column diameter: 0.25 mm
Capillary	OV-101	100.	866.	Matisová, Rukríglová, et al., 1988	H2; Column length: 278. m; Column diameter: 0.25 mm
Capillary	OV-101	100.	866.	Matisová, Rukríglová, et al., 1988	H2; Column length: 278. m; Column diameter: 0.25 mm
Capillary	OV-101	100.	866.	Matisová, Rukríglová, et al., 1988	H2; Column length: 278. m; Column diameter: 0.25 mm
Capillary	Squalane	100.	862.	Nabivach and Vasiliev, 1987
Capillary	SE-54	115.	886.	Bermejo, Blanco, et al., 1986	N2; Column length: 25. m; Column diameter: 0.22 mm
Capillary	Squalane	115.	865.	Bermejo, Blanco, et al., 1986	N2; Column length: 45. m; Column diameter: 0.5 mm
Capillary	Squalane	50.	848.0	Krupcik, Cellar, et al., 1986	Column length: 180. m; Column diameter: 0.25 mm
Capillary	OV-101	80.	863.	Wang and Sun, 1985	Column length: 50. m; Column diameter: 0.27 mm
Packed	SE-30	150.	880.	Tiess, 1984	Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m
Capillary	OV-101	100.	866.	Boneva, Papazova, et al., 1983	N2; Column length: 85. m; Column diameter: 0.28 mm
Capillary	OV-101	100.	868.	Boneva, Papazova, et al., 1983	N2; Column length: 85. m; Column diameter: 0.28 mm
Capillary	OV-101	100.	866.	Boneva, Papazova, et al., 1983	N2; Column length: 85. m; Column diameter: 0.28 mm
Capillary	OV-101	110.	868.	Boneva, Papazova, et al., 1983	N2; Column length: 85. m; Column diameter: 0.28 mm
Capillary	OV-101	90.	863.	Boneva, Papazova, et al., 1983	N2; Column length: 85. m; Column diameter: 0.28 mm
Capillary	Squalane	106.	862.	Kugucheva and Mashinsky, 1983	He; Column length: 100. m
Capillary	Squalane	96.	859.	Kugucheva and Mashinsky, 1983	He; Column length: 100. m
Capillary	DB-1	60.	857.1	Lubeck and Sutton, 1983	Column length: 60. m; Column diameter: 0.264 mm
Capillary	DB-1	60.	857.6	Lubeck and Sutton, 1983	60. m/0.259 mm/1. μm
Capillary	SE-30	70.	860.8	Tóth, 1983	N2; Column length: 15. m; Column diameter: 0.25 mm
Packed	SE-30	100.	868.	Winskowski, 1983	Gaschrom Q; Column length: 2. m
Capillary	SE-30	130.	876.	Bredael, 1982	Column length: 100. m; Column diameter: 0.5 mm
Capillary	SE-30	80.	864.	Bredael, 1982	Column length: 100. m; Column diameter: 0.5 mm
Capillary	OV-101	100.	868.	Gerasimenko and Nabivach, 1982	N2; Column length: 50. m; Column diameter: 0.30 mm
Capillary	OV-101	120.	872.	Gerasimenko and Nabivach, 1982	N2; Column length: 50. m; Column diameter: 0.30 mm
Capillary	OV-101	140.	878.	Gerasimenko and Nabivach, 1982	N2; Column length: 50. m; Column diameter: 0.30 mm
Capillary	Squalane	86.	859.	Macák, Nabivach, et al., 1982	N2; Column length: 50. m; Column diameter: 0.25 mm
Capillary	Squalane	96.	861.2	Macák, Nabivach, et al., 1982	N2; Column length: 50. m; Column diameter: 0.25 mm
Capillary	OV-101	100.	867.7	Gerasimenko, Kirilenko, et al., 1981	N2; Column length: 50. m; Column diameter: 0.3 mm
Capillary	OV-101	120.	872.5	Gerasimenko, Kirilenko, et al., 1981	N2; Column length: 50. m; Column diameter: 0.3 mm
Capillary	OV-101	140.	878.3	Gerasimenko, Kirilenko, et al., 1981	N2; Column length: 50. m; Column diameter: 0.3 mm
Capillary	OV-1	60.	860.	Nijs and Jacobs, 1981	He; Column length: 150. m; Column diameter: 0.50 mm
Capillary	SE-30	80.	860.3	Albaigés and Guardino, 1980	He; Column length: 64. m; Column diameter: 0.25 mm
Capillary	Squalane	80.	854.2	Albaigés and Guardino, 1980	He; Column length: 100. m; Column diameter: 0.25 mm
Packed	Squalane	100.	858.	Nabivach and Kirilenko, 1980	He, Chromaton N-AW-HMDS; Column length: 1. m
Capillary	Squalane	50.	848.3	Bajus, Veselý, et al., 1979	Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	70.	853.4	Bajus, Veselý, et al., 1979	Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	86.	858.4	Nabivach and Kirilenko, 1979	N2; Column length: 50. m
Capillary	Squalane	86.	858.6	Nabivach and Kirilenko, 1979	N2; Column length: 50. m
Capillary	Squalane	86.	859.0	Nabivach and Kirilenko, 1979	N2; Column length: 50. m
Capillary	Squalane	86.	859.3	Nabivach and Kirilenko, 1979	N2; Column length: 50. m
Capillary	Squalane	70.	854.1	Nabivach and Kirilenko, 1979	N2; Column length: 50. m
Capillary	Squalane	70.	854.6	Nabivach and Kirilenko, 1979	N2; Column length: 50. m
Capillary	Squalane	86.	859.0	Nabivach and Kirilenko, 1979	N2; Column length: 50. m
Capillary	Squalane	86.	861.0	Nabivach and Kirilenko, 1979	N2; Column length: 50. m
Capillary	Squalane	86.	859.0	Nabivach, Bur'yan, et al., 1978	Column length: 50. m; Column diameter: 0.25 mm
Capillary	Squalane	96.	861.2	Nabivach, Bur'yan, et al., 1978	Column length: 50. m; Column diameter: 0.25 mm
Capillary	Squalane	100.	865.	Engewald and Wennrich, 1976	N2; Column length: 100. m; Column diameter: 0.23 mm
Capillary	Squalane	100.	861.	Lulova, Leont'eva, et al., 1976	He; Column length: 120. m; Column diameter: 0.25 mm
Capillary	Squalane	100.	861.	Lulova, Leont'eva, et al., 1976	He; Column length: 120. m; Column diameter: 0.25 mm
Capillary	Squalane	80.	855.73	Soják and Rijks, 1976	H2; Column length: 100. m; Column diameter: 0.25 mm
Packed	SE-30	110.	882.	Mitra, Mohan, et al., 1974	N2, Chrom W; Column length: 6.1 m
Packed	SE-30	120.	886.	Mitra, Mohan, et al., 1974	N2, Chrom W; Column length: 6.1 m
Capillary	Squalane	100.	868.	Mitra, Mohan, et al., 1974, 2	H2; Column length: 50. m; Column diameter: 0.2 mm
Capillary	Squalane	50.	849.	Rijks and Cramers, 1974	N2; Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	70.	854.	Rijks and Cramers, 1974	N2; Column length: 100. m; Column diameter: 0.25 mm
Capillary	SE-30	65.	857.8	Svob and Deur-Siftar, 1974	He; Column length: 25.5 m; Column diameter: 0.5 mm
Capillary	Squalane	100.	861.8	Svob and Deur-Siftar, 1974	He; Column length: 10.5 m; Column diameter: 0.25 mm
Capillary	Vacuum Grease Oil (VM-4)	35.	863.	Sidorov, Petrova, et al., 1972
Capillary	Vacuum Grease Oil (VM-4)	45.	867.	Sidorov, Petrova, et al., 1972
Capillary	Vacuum Grease Oil (VM-4)	50.	868.	Sidorov, Petrova, et al., 1972
Capillary	Vacuum Grease Oil (VM-4)	58.	872.	Sidorov, Petrova, et al., 1972
Capillary	Vacuum Grease Oil (VM-4)	68.	875.	Sidorov, Petrova, et al., 1972
Capillary	Squalane	70.	850.	Dimov and Schopov, 1971	Column length: 100. m; Column diameter: 0.25 mm
Packed	Apiezon L	100.	908.	Wagaman and Smith, 1971	CH4; Column length: 3. m
Capillary	Squalane	80.	858.1	Wallaert, 1971	Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	92.	861.	Krupcík, Liska, et al., 1970	N2; Column length: 45. m; Column diameter: 0.2 mm
Capillary	Squalane	115.	865.5	Krupcík, Liska, et al., 1970	N2; Column length: 200. m; Column diameter: 0.2 mm
Capillary	Squalane	115.	864.9	Soják and Bucinská, 1970	N2; Column length: 200. m; Column diameter: 0.2 mm
Capillary	Squalane	86.	858.1	Soják and Bucinská, 1970	N2; Column length: 200. m; Column diameter: 0.2 mm
Packed	Apiezon L	100.	894.	Brown, Chapman, et al., 1968	N2, DCMS-treated Chromosorb W; Column length: 2.3 m
Packed	Squalane	27.	884.	Hively and Hinton, 1968	He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
Packed	Squalane	49.	850.	Hively and Hinton, 1968	He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
Packed	Squalane	67.	855.	Hively and Hinton, 1968	He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
Packed	Squalane	86.	860.	Hively and Hinton, 1968	He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
Packed	Apiezon L	100.	894.	Bonastre and Grenier, 1967	Chromosorb P; Column length: 10. m
Packed	Apiezon L	120.	901.	Bonastre and Grenier, 1967	Chromosorb P; Column length: 10. m
Packed	Apiezon L	140.	907.	Bonastre and Grenier, 1967	Chromosorb P; Column length: 10. m
Packed	Apiezon L	80.	888.	Bonastre and Grenier, 1967	Chromosorb P; Column length: 10. m
Packed	Squalane	120.	862.	Bonastre and Grenier, 1967	Chromosorb P; Column length: 6. m
Packed	Squalane	140.	870.	Bonastre and Grenier, 1967	Chromosorb P; Column length: 6. m

Kovats' RI, non-polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	CBP-1	863.	Shimadzu, 2003	25. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; T_end: 200. C
Capillary	DB-5	860.	Ramarathnam, Rubin, et al., 1993	He, 30. C @ 2. min, 10. K/min, 280. C @ 3. min; Column length: 30. m; Column diameter: 0.13 mm
Capillary	SE-54	861.	Rembold, Wallner, et al., 1989	30. m/0.25 mm/0.25 μm, He, 0. C @ 12. min, 12. K/min; T_end: 250. C
Capillary	OV-101	853.	Hayes and Pitzer, 1982	110. m/0.25 mm/0.20 μm, He, 1. K/min; T_start: 35. C; T_end: 200. C
Capillary	SE-30	859.	Greenberg, 1981	He, 40. C @ 3. min, 3. K/min; Column length: 50. m; Column diameter: 0.5 mm; T_end: 170. C
Capillary	SE-30	861.	Greenberg, 1981	He, 40. C @ 3. min, 3. K/min; Column length: 50. m; Column diameter: 0.5 mm; T_end: 170. C
Capillary	SE-30	863.	Greenberg, 1981, 2	He, 70. C @ 2. min, 5. K/min, 170. C @ 5. min; Column length: 50. m; Column diameter: 0.5 mm
Capillary	SE-30	864.	Greenberg, 1981, 2	He, 70. C @ 2. min, 5. K/min, 170. C @ 5. min; Column length: 50. m; Column diameter: 0.5 mm
Capillary	OV-101	864.	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	864.	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	Apiezon L	885.	Louis, 1971	N2, 1. K/min; Column length: 50. m; Column diameter: 0.25 mm; T_start: 60. C

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Petrocol DH-100	866.	Haagen-Smit Laboratory, 1997	He; Column length: 100. m; Column diameter: 0.2 mm; Program: 5C(10min) => 5C/min => 50C(48min) => 1.5C/min => 195C(91min)
Capillary	DB-1	859.	Hoekman, 1993	60. m/0.32 mm/1.0 μm, He; Program: -40 C for 12 min; -40 - 125 C at 3 deg.min; 125-185 C at 6 deg/min; 185 - 220 C at 20 deg/min; hold 220 C for 2 min
Packed	Apiezon M	889.2	Jalali-Heravi and Garkani-Nejad, 1993	Chromosorb W; Column length: 2. m; Program: not specified
Capillary	Squalane	864.	Papazova and Pankova, 1975	N2; Column length: 100. m; Column diameter: 0.25 mm; Program: not specified

Kovats' RI, polar column, isothermal

View large format table.

Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	ZB-Wax	100.	1169.5	Pérez-Parajón, Santiuste, et al., 2004	60. m/0.25 mm/0.25 μm
Capillary	ZB-Wax	120.	1180.4	Pérez-Parajón, Santiuste, et al., 2004	60. m/0.25 mm/0.25 μm
Capillary	Carbowax 20M	150.	1123.	Egazaryants and Maximov, 1998	He; Column length: 15. m; Column diameter: 0.5 mm
Capillary	Carbowax 20M	150.	1123.	Egazaryants and Maximov, 1998	He; Column length: 15. m; Column diameter: 0.5 mm
Capillary	Supelcowax-10	60.	1145.	Castello, Vezzani, et al., 1991	N2; Column length: 60. m; Column diameter: 0.75 mm
Capillary	Carbowax 20M	100.	1159.94	Podmaniczky, Szepesy, et al., 1985
Capillary	Carbowax 20M	110.	1165.00	Podmaniczky, Szepesy, et al., 1985
Capillary	Carbowax 20M	120.	1169.77	Podmaniczky, Szepesy, et al., 1985
Capillary	Carbowax 20M	70.	1145.24	Podmaniczky, Szepesy, et al., 1985
Capillary	Carbowax 20M	80.	1149.89	Podmaniczky, Szepesy, et al., 1985
Capillary	Carbowax 20M	90.	1152.22	Podmaniczky, Szepesy, et al., 1985
Capillary	PEG-20M	70.	1138.9	Tóth, 1983	N2; Column length: 30. m; Column diameter: 0.3 mm
Packed	Carbowax 20M	75.	1143.	Goebel, 1982	N2, Kieselgur (60-100 mesh); Column length: 2. m
Packed	Carbowax 20M	150.	1169.2	Ellis and Still, 1979	Chromosorb W, AW-DMCS
Capillary	Carbowax 20M	100.	1134.8	Engewald and Wennrich, 1976	N2; Column length: 100. m; Column diameter: 0.23 mm
Capillary	Carbowax 20M	90.	1118.6	Döring, Estel, et al., 1974	Column length: 100. m; Column diameter: 0.2 mm
Packed	PEG-2000	150.	1189.	Anderson, Jurel, et al., 1973	He, Celite 545 (44-60 mesh); Column length: 3. m
Packed	PEG-2000	152.	1182.	Anderson, Jurel, et al., 1973	He, Celite 545 (44-60 mesh); Column length: 3. m
Packed	Polyethylene Glycol 4000	100.	1163.	Bonastre and Grenier, 1967	Chromosorb P; Column length: 6. m
Packed	Polyethylene Glycol 4000	120.	1170.	Bonastre and Grenier, 1967	Chromosorb P; Column length: 6. m
Packed	Polyethylene Glycol 4000	140.	1178.	Bonastre and Grenier, 1967	Chromosorb P; Column length: 6. m
Packed	Polyethylene Glycol 4000	80.	1156.	Bonastre and Grenier, 1967	Chromosorb P; Column length: 6. m

Kovats' RI, polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	CBP-20	1136.	Shimadzu, 2003	25. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; T_end: 200. C
Capillary	Supelcowax-10	1142.	Wong and Tie, 1993	He, 35. C @ 5. min, 3. K/min, 200. C @ 20. min; Column length: 60. m; Column diameter: 0.25 mm
Capillary	Carbowax 20M	1180.	Nishimura, Yamaguchi, et al., 1989	2. K/min; Column length: 50. m; Column diameter: 0.22 mm; T_start: 80. C; T_end: 200. C

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-5	877.	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	SPB-5	874.	Deport, Ratel, et al., 2006	60. m/0.32 mm/1. μm, He, 40. C @ 5. min, 3. K/min, 230. C @ 5. min
Capillary	CP Sil 8 CB	864.	Mahadevan and Farmer, 2006	60. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm
Capillary	HP-5	878.	Solina, Baumgartner, et al., 2005	25. m/0.2 mm/1. μm, He, 5. K/min, 280. C @ 5. min; T_start: 40. C
Capillary	PONA	862.	Vendeuvre, Bertoncini, et al., 2005	50. m/0.2 mm/0.5 μm, 2. K/min; T_start: 50. C
Capillary	SPB-5	884.	Pino, Marbot, et al., 2004	30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min
Capillary	HP-1	855.	Cavalli, Fernandez, et al., 2003	50. m/0.2 mm/0.33 μm, He, 60. C @ 5. min, 2. K/min, 250. C @ 20. min
Capillary	Petrocol DH	860.4	Censullo, Jones, et al., 2003	50. m/0.25 mm/0.5 μm, He, 35. C @ 10. min, 3. K/min, 200. C @ 10. min
Capillary	DB-5	872.	Flamini, Luigi Cioni, et al., 2003	30. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 240. C
Capillary	CP Sil 5 CB	847.	Pino, Almora, et al., 2003	60. m/0.32 mm/0.25 μm, He, 60. C @ 10. min, 3. K/min, 280. C @ 60. min
Capillary	SPB-5	884.	Pino, Marbot, et al., 2003	30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min
Capillary	DB-5	861.7	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	864.4	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	866.5	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	DB-1	849.3	Sun and Stremple, 2003	30. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 40. C; T_end: 325. C
Capillary	DB-5	877.8	Xu, van Stee, et al., 2003	30. m/0.25 mm/1. μm, He, 2.5 K/min; T_start: 50. C; T_end: 200. C
Capillary	CP Sil 8 CB	869.	Oruna-Concha, Ames, et al., 2002	60. m/0.25 mm/0.25 μm, He, 40. C @ 8. min, 4. K/min, 250. C @ 10. min
Capillary	SPB-5	884.	Pino, Marbot, et al., 2002	30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min
Capillary	HP-5	866.	Isidorov, Krajewska, et al., 2001	30. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 40. C; T_end: 180. C
Capillary	CP Sil 5 CB	852.	Pino, Marbot, et al., 2001	50. m/0.32 mm/0.4 μm, He, 60. C @ 10. min, 3. K/min, 280. C @ 60. min
Capillary	OV-101	856.3	Yin, Liu, et al., 2001	N2, 1. K/min; Column length: 80. m; Column diameter: 0.22 mm; T_start: 30. C; T_end: 130. C
Capillary	CP Sil 8 CB	865.	Chevance and Farmer, 1999	60. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm
Capillary	SPB-5	873.	Verdier-Metz., Coulon, et al., 1998	60. m/0.32 mm/1. μm, He, 40. C @ 5. min, 3. K/min, 200. C @ 2. min
Capillary	PONA	845.7	Martos, Saraullo, et al., 1997	50. m/0.2 mm/0.5 μm, 35. C @ 0.5 min, 1. K/min, 220. C @ 8. min
Capillary	PONA	851.3	Martos, Saraullo, et al., 1997	50. m/0.2 mm/0.5 μm, 35. C @ 0.5 min, 1. K/min, 220. C @ 8. min
Capillary	OV-1	855.5	Gautzsch and Zinn, 1996	8. K/min; T_start: 35. C; T_end: 300. C
Capillary	DB-1	855.4	Helmig, Pollock, et al., 1996	30. m/0.25 mm/1. μm, 6. K/min; T_start: -50. C; T_end: 180. C
Capillary	DB-5	869.3	Helmig, Pollock, et al., 1996	60. m/0.33 mm/0.25 μm, 6. K/min; T_start: -50. C; T_end: 180. C
Capillary	DB-5	861.7	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	864.4	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	866.5	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	Petrocol DH	853.96	Subramaniam, Bochniak, et al., 1994	100. m/0.25 mm/0.5 μm, He, 1. K/min; T_start: 30. C; T_end: 220. C
Capillary	Petrocol DH	854.41	Subramaniam, Bochniak, et al., 1994	100. m/0.25 mm/0.5 μm, He, 1. K/min; T_start: 30. C; T_end: 220. C
Capillary	DB-5	865.	Gómez, Ledbetter, et al., 1993	He, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; T_start: 50. C; T_end: 250. C
Capillary	Ultra-1	855.	Olson, Sinkevitch, et al., 1992	4. K/min; T_start: -40. C; T_end: 230. C
Capillary	Petrocol DH	854.75	White, Douglas, et al., 1992	100. m/0.25 mm/0.5 μm, He, 1. K/min; T_start: 30. C; T_end: 220. C
Capillary	Petrocol DH	854.85	White, Douglas, et al., 1992	100. m/0.25 mm/0.5 μm, He, 1. K/min; T_start: 30. C; T_end: 220. C
Capillary	Petrocol DH	855.	White, Hackett, et al., 1992	100. m/0.25 mm/0.5 μm, He, 1. K/min; T_start: 30. C; T_end: 220. C
Capillary	DB-5	863.	Morinaga, Hara, et al., 1990	15. m/0.53 mm/1.5 μm, He, 4. K/min; T_start: 40. C; T_end: 90. C
Capillary	Ultra-1	855.12	Steward and Pitzer, 1988	50. m/0.2 mm/0.33 μm, He, 2. K/min; T_start: 0. C; T_end: 240. C
Capillary	HP-1	859.7	Bangjie, Xijian, et al., 1987	N2, 10. K/min; Column length: 25. m; Column diameter: 0.2 mm; T_start: 30. C
Capillary	HP-1	856.	Bangjie, Xijian, et al., 1987	N2, 2. K/min; Column length: 25. m; Column diameter: 0.2 mm; T_start: 30. C
Capillary	HP-1	854.3	Bangjie, Xijian, et al., 1987	N2, 30. C @ 5. min, 5. K/min; Column length: 25. m; Column diameter: 0.2 mm
Capillary	OV-101	861.8	Wang and Sun, 1987	26. m/0.26 mm/0.3 μm, 2. K/min; T_start: 100. C; T_end: 240. C
Capillary	OV-101	853.7	Wang and Sun, 1987	26. m/0.26 mm/0.3 μm, 2. K/min; T_start: 60. C; T_end: 240. C
Capillary	OV-101	859.8	Wang and Sun, 1987	26. m/0.26 mm/0.3 μm, 8. K/min; T_start: 60. C; T_end: 240. C
Capillary	OV-101	864.7	Wang and Sun, 1987	21.5 m/0.27 mm/2. μm, 6. K/min; T_start: 60. C; T_end: 240. C
Capillary	OV-101	855.9	Wang and Sun, 1987	21.5 m/0.27 mm/0.14 μm, 6. K/min; T_start: 60. C; T_end: 240. C
Capillary	OV-101	860.8	Wang and Sun, 1987, 2	26.5 m/0.25 mm/0.14 μm, 70. C @ 4.08 min, 9. K/min; T_end: 240. C
Capillary	OV-101	866.94	Wang, Zhong, et al., 1987	24. m/0.26 mm/0.5 μm, 6. K/min; T_start: 80. C; T_end: 240. C
Capillary	OV-1	842.	Wu and Liou, 1986	H2, 2. K/min, 200. C @ 55. min; Column length: 50. m; Column diameter: 0.2 mm; T_start: 50. C
Capillary	Ultra-1	851.35	Haynes and Pitzer, 1985	50. m/0.22 mm/0.33 μm, He, 1. K/min; T_start: -30. C; T_end: 240. C
Capillary	Ultra-1	854.04	Haynes and Pitzer, 1985	50. m/0.22 mm/0.33 μm, He, 2. K/min; T_start: -30. C; T_end: 240. C
Capillary	Ultra-1	855.80	Haynes and Pitzer, 1985	50. m/0.22 mm/0.33 μm, He, 3. K/min; T_start: -30. C; T_end: 240. C
Capillary	Ultra-2	865.82	Haynes and Pitzer, 1985	50. m/0.22 mm/0.33 μm, He, 1. K/min; T_start: -30. C; T_end: 240. C
Capillary	Ultra-2	868.78	Haynes and Pitzer, 1985	50. m/0.22 mm/0.33 μm, He, 2. K/min; T_start: -30. C; T_end: 240. C
Capillary	Ultra-2	870.79	Haynes and Pitzer, 1985	50. m/0.22 mm/0.33 μm, He, 3. K/min; T_start: -30. C; T_end: 240. C
Capillary	OV-101	867.	Wang and Sun, 1985	2. K/min; Column length: 50. m; Column diameter: 0.27 mm; T_start: 110. C
Capillary	OV-101	871.	Wang and Sun, 1985	2. K/min; Column length: 50. m; Column diameter: 0.27 mm; T_start: 125. C
Capillary	OV-101	862.	Wang and Sun, 1985	2. K/min; Column length: 50. m; Column diameter: 0.27 mm; T_start: 80. C
Capillary	OV-101	863.	Wang and Sun, 1985	3. K/min; Column length: 50. m; Column diameter: 0.27 mm; T_start: 80. C
Capillary	OV-101	865.	Wang and Sun, 1985	4. K/min; Column length: 50. m; Column diameter: 0.27 mm; T_start: 80. C
Capillary	OV-101	864.	Wang and Sun, 1985	2. K/min; Column length: 50. m; Column diameter: 0.27 mm; T_start: 95. C
Capillary	OV-101	853.	Hayes and Pitzer, 1981	108. m/0.25 mm/0.2 μm, 1. K/min; T_start: 35. C; T_end: 200. C

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	HP-5MS	870.	Andriamaharavo, 2014	30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)
Capillary	DB-5MS	875.	Varlet V., Knockaert C., et al., 2006	30. m/0.32 mm/0.5 μm, He; Program: 70C(1min) => 3C/min => 80C(1min) => 5C/min => 150C => 10C/min => 280C (4min)
Capillary	DB-1	863.	Place, Imhof, et al., 2003	60. m/0.32 mm/1. μm, He; Program: 35C(5min) => 10C/min => 45C (5min) => 5C/min => 250C (10min)
Capillary	HP-5	888.	Engel, Baty, et al., 2002	30. m/0.25 mm/0.25 μm, He; Program: 5C(5min) => 3C/min => 20C => 5C/min => 100C 15C/min => 150C (5min)
Capillary	CP Sil 8 CB	872.	Oruna-Concha, Bakker, et al., 2002	60. m/0.25 mm/0.25 μm, He; Program: 0C => rapidly => 40C(8min) => 4C/min => 250C(10min)
Capillary	Methyl Silicone	879.49	Hassoun, Pilling, et al., 1999	50. m/0.25 mm/1. μm, He; Program: -50C(2min) => 49.9C/min => 35C(10min) => 3C/min => 200C(2min) => 40C/min => 240C(30min)
Capillary	DB-1	854.	Mattinen, Tuominen, et al., 1995	30. m/0.32 mm/1. μm, He; Program: 40C(3min) => 5C/min => 150C => 10C/min => 210C(30min)
Packed	SE-30	875.	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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	CP-Wax 52CB	1129.	Mahadevan and Farmer, 2006	60. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm
Capillary	CP-Wax 52CB	1134.	Alasalvar, Taylor, et al., 2005	60. m/0.25 mm/0.25 μm, 35. C @ 4. min, 3. K/min; T_end: 203. C
Capillary	Supelcowax-10	1142.	Elmore, Nisyrios, et al., 2005	60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; T_end: 280. C
Capillary	Carbowax	1154.2	Censullo, Jones, et al., 2003	60. m/0.25 mm/0.5 μm, He, 50. C @ 10. min, 5. K/min, 250. C @ 10. min
Capillary	AT-Wax	1117.	Pino, Almora, et al., 2003	60. m/0.32 mm/0.25 μm, He, 65. C @ 10. min, 2. K/min, 250. C @ 60. min
Capillary	Supelcowax-10	1137.	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	Supelcowax-10	1137.	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
Capillary	AT-Wax	1117.	Pino, Marbot, et al., 2001	60. m/0.32 mm/0.25 μm, He, 65. C @ 10. min, 2. K/min, 250. C @ 60. min
Capillary	DB-Wax	1164.	Beauchene, Grua-Priol, et al., 2000	60. m/0.32 mm/0.5 μm, He, 3. K/min, 160. C @ 5. min; T_start: 30. C
Capillary	DB-Wax	1139.	Le Guen, Prost, et al., 2000	60. m/0.32 mm/0.5 μm, He, 40. C @ 2. min, 4. K/min, 250. C @ 10. min
Capillary	CP-Wax 52CB	1123.	Chevance and Farmer, 1999	60. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm
Capillary	CP-Wax 52CB	1123.	Chevance and Farmer, 1999, 2	60. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm
Capillary	Supelcowax-10	1137.	Chung, 1999	60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min
Capillary	DB-Wax	1125.	Cha, Kim, et al., 1998	60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 3. K/min, 200. C @ 60. min
Capillary	DB-Wax	1136.	Shimoda, Wu, et al., 1996	60. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 50. C; T_end: 230. C
Capillary	DB-Wax	1130.	Shimoda, Shigematsu, et al., 1995	60. m/0.25 mm/0.25 μm, 2. K/min; T_start: 50. C; T_end: 230. C
Capillary	DB-Wax	1130.	Shimoda, Shigematsu, et al., 1995, 2	60. m/0.25 mm/0.25 μm, He, 2. K/min; T_start: 50. C; T_end: 230. C
Capillary	DB-Wax	1156.	Shiratsuchi, Shimoda, et al., 1994	60. m/0.25 mm/0.25 μm, He, 2. K/min, 230. C @ 60. min; T_start: 50. C
Capillary	DB-Wax	1134.	Sumitani, Suekane, et al., 1994	He, 40. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; T_end: 200. C
Capillary	Supelcowax-10	1136.	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	DB-Wax	1132.	Shiratsuchi, Shimoda, et al., 1993	60. m/0.25 mm/0.25 μm, 50. C @ 4. min, 2. K/min, 230. C @ 30. min
Capillary	Carbowax 20M	1135.	Suárez and Duque, 1991	2. K/min; Column length: 25. m; Column diameter: 0.31 mm; T_start: 50. C; T_end: 200. C
Capillary	Carbowax 20M	1140.	Suárez and Duque, 1991	2. K/min; Column length: 25. m; Column diameter: 0.31 mm; T_start: 50. C; T_end: 200. C
Capillary	DB-Wax	1119.	Frohlich and Schreier, 1990	30. m/0.32 mm/0.25 μm, He, 40. C @ 3. min, 5. K/min; T_end: 220. C
Capillary	Supelcowax-10	1136.	Matiella and Hsieh, 1990	60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min, 175. C @ 20. min
Capillary	DB-Wax	1119.	Fröhlich, Duque, et al., 1989	30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; T_end: 250. C
Capillary	DB-Wax	1119.	Fröhlich, Duque, et al., 1989	30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; T_end: 250. C
Capillary	Supelcowax-10	1137.	Tanchotikul and Hsieh, 1989	60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min, 175. C @ 20. min
Capillary	Supelcowax-10	1140.	Tanchotikul and Hsieh, 1989	60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min, 175. C @ 20. min
Capillary	Supelcowax-10	1126.	Vejaphan, Hsieh, et al., 1988	60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min, 175. C @ 20. min
Capillary	Supelcowax-10	1129.	Vejaphan, Hsieh, et al., 1988	60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min, 175. C @ 20. min
Capillary	PEG-20M	1156.5	Wang and Sun, 1987	25. m/0.26 mm/0.3 μm, 2. K/min; T_start: 100. C; T_end: 200. C
Capillary	PEG-20M	1141.3	Wang and Sun, 1987	25. m/0.26 mm/0.3 μm, 2. K/min; T_start: 60. C; T_end: 200. C
Capillary	PEG-20M	1150.6	Wang and Sun, 1987	25. m/0.26 mm/0.3 μm, 8. K/min; T_start: 60. C; T_end: 200. C
Capillary	Carbowax 20M	1117.	Wu and Liou, 1986	H2, 2. K/min, 200. C @ 55. min; Column length: 50. m; Column diameter: 0.2 mm; T_start: 50. C
Capillary	PEG-20M	1153.2	Wang and Sun, 1985	2. K/min; Column length: 62. m; Column diameter: 0.27 mm; T_start: 100. C
Capillary	PEG-20M	1143.4	Wang and Sun, 1985	3. K/min; Column length: 62. m; Column diameter: 0.27 mm; T_start: 70. C
Capillary	PEG-20M	1146.0	Wang and Sun, 1985	4. K/min; Column length: 62. m; Column diameter: 0.27 mm; T_start: 70. C
Capillary	PEG-20M	1143.9	Wang and Sun, 1985	2. K/min; Column length: 62. m; Column diameter: 0.27 mm; T_start: 80. C
Capillary	PEG-20M	1148.7	Wang and Sun, 1985	2. K/min; Column length: 62. m; Column diameter: 0.27 mm; T_start: 90. C

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Supelcowax-10	1130.	Bianchi, Cantoni, et al., 2007	30. m/0.25 mm/0.25 μm; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 220C(1min)
Capillary	Supelcowax-10	1127.	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	1129.	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	1130.	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	1130.	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	1125.	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	DB-Wax	1120.	Hallier, Prost, et al., 2005	30. m/0.32 mm/0.5 μm, He; Program: 40C(5min) => 10C/min => 160C => 15C/min => 230C
Capillary	FFAP	1152.	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	CP-Wax 52CB	1137.	Alasalvar, Shahidi, et al., 2003	60. m/0.25 mm/0.25 μm, He; Program: 40C => 5C/min => 60C => 2.5C/min => 155C
Capillary	DB-Wax	1140.	Pennarun, Prost, et al., 2003	30. m/0.32 mm/0.5 μm, He; Program: 50C => 6C/min => 70C => 4C/min => 150C => 10C/min => 250C
Capillary	DB-Wax	1140.	Pennarun, Prost, et al., 2002	30. m/0.32 mm/0.5 μm, He; Program: 50C => 6C/min => 70C => 4C/min => 150C => 10C/min => 250C

Normal alkane RI, non-polar column, isothermal

View large format table.

Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	Methyl Silicone	120.	872.	Chen and Feng, 2006
Capillary	DB-1	60.	856.	Shimadzu, 2003, 2	60. m/0.32 mm/1. μm, He
Capillary	Squalane	100.	861.	Berezkin, 1993
Capillary	Squalane	100.	868.	Berezkin, 1993
Capillary	OV-101	100.	866.	Tian, 1993	Column length: 50. m; Column diameter: 0.20 mm
Capillary	OV-101	100.	868.	Tian, 1993	Column length: 50. m; Column diameter: 0.20 mm
Capillary	OV-101	120.	870.	Tian, 1993	Column length: 50. m; Column diameter: 0.20 mm
Capillary	OV-101	120.	872.	Tian, 1993	Column length: 50. m; Column diameter: 0.20 mm
Capillary	Methyl Silicone	50.	852.	N/A	N2; Column length: 74.6 m; Column diameter: 0.28 mm
Capillary	Squalane	100.	860.	Krupcik, Cellar, et al., 1986, 2	Column length: 180. m; Column diameter: 0.25 mm
Capillary	Squalane	40.	845.	Krupcik, Cellar, et al., 1986, 2	Column length: 180. m; Column diameter: 0.25 mm
Capillary	Squalane	70.	853.	Krupcik, Cellar, et al., 1986, 2	Column length: 180. m; Column diameter: 0.25 mm
Capillary	OV-101	50.	854.	Wu and Lu, 1984
Capillary	OV-101	70.	857.	Wu and Lu, 1984
Capillary	E-301	100.	870.	Bermejo, Moinelo, et al., 1980	N2; Column length: 50. m; Column diameter: 0.25 mm
Capillary	Squalane	100.	864.	Bermejo, Moinelo, et al., 1980	N2; Column length: 50. m; Column diameter: 0.25 mm
Capillary	Squalane	95.4	850.	Sojak and Vigdergauz, 1978	H2
Capillary	Squalane	110.	865.	Papazova and Pankova, 1975	N2; Column length: 100. m; Column diameter: 0.25 mm
Packed	Apiezon L	100.	890.	Kavan, 1973	Column length: 3.2 m
Packed	DC-400	150.	874.	Anderson, 1968	Helium, Gas-Pak (60-80 mesh); Column length: 3.0 m
Packed	Polydimethyl siloxane	110.	870.	Ferrand, 1962

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Polydimethyl siloxane: CP-Sil 5 CB	862.	Bramston-Cook, 2013	60. m/0.25 mm/1.0 μm, Helium, 45. C @ 1.45 min, 3.6 K/min, 210. C @ 2.72 min
Capillary	HP-5 MS	865.	Kotowska, Zalikowski, et al., 2012	30. m/0.25 mm/0.25 μm, Helium, 35. C @ 5. min, 3. K/min, 300. C @ 15. min
Capillary	Petrocol DH	858.	Supelco, 2012	100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min
Capillary	DB-5	868.	Czerny, Brueckner, et al., 2011	30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 8. K/min, 250. C @ 5. min
Capillary	VF-5 MS	867.	Leffingwell and Alford, 2011	60. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; T_start: 30. C
Capillary	VF-5 MS	872.	Leffingwell and Alford, 2011	60. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; T_start: 30. C
Capillary	PONA	861.	Zhang, Ding, et al., 2009	50. m/0.20 mm/0.50 μm, Nitrogen, 35. C @ 15. min, 2. K/min, 200. C @ 10. min
Capillary	HP-5	899.	Mildner-Szkudlarz and Jelen, 2008	10. m/0.10 mm/0.40 μm, Helium, 40. C @ 1. min, 20. K/min, 280. C @ 1. min
Capillary	VF-5MS	856.	Ghiasvand, Setkova, et al., 2007	30. m/0.25 mm/0.25 μm, 7. K/min; T_start: 40. C; T_end: 250. C
Capillary	SPB-5	874.	Vasta, Ratel, et al., 2007	60. m/0.32 mm/1. μm, 40. C @ 5. min, 3. K/min, 230. C @ 5. min
Capillary	SPB-5	876.	Vasta, Ratel, et al., 2007	60. m/0.32 mm/1. μm, 40. C @ 5. min, 3. K/min, 230. C @ 5. min
Capillary	HP-1	853.	Berlioz, Cordella, et al., 2006	50. m/0.2 mm/0.33 μm, N2, 2. K/min, 250. C @ 20. min; T_start: 60. C
Capillary	HP-1	854.	Castel, Fernandez, et al., 2006	50. m/0.2 mm/0.33 μm, He, 60. C @ 4. min, 2. K/min, 250. C @ 30. min
Capillary	HP-1	853.	Castel, Fernandez, et al., 2006, 2	50. m/0.2 mm/0.5 μm, He, 2. K/min, 250. C @ 120. min; T_start: 60. C
Capillary	HP-1	853.	Castel, Fernandez, et al., 2006, 2	50. m/0.2 mm/0.33 μm, He, 60. C @ 4. min, 2. K/min, 250. C @ 30. min
Capillary	SPB-5	884.	Pino, Marbot, et al., 2005	30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min
Capillary	HP-1	856.	Cavalli, Fernandez, et al., 2004	50. m/0.2 mm/0.33 μm, N2, 2. K/min, 250. C @ 20. min; T_start: 60. C
Capillary	DB-5	870.	Dhanda, Pegg, et al., 2003	60. m/0.25 mm/0.25 μm, He, 35. C @ 2. min, 5. K/min, 280. C @ 4. min
Capillary	DB-5	884.	Pino, Marbot, et al., 2003, 2	30. m/0.25 mm/0.25 μm, H2, 60. C @ 10. min, 4. K/min, 280. C @ 40. min
Capillary	SPB-5	868.	Sebastian, Viallon-Fernandez, et al., 2003	60. m/0.32 mm/1.0 μm, Helium, 3. K/min; T_start: 30. C; T_end: 230. C
Capillary	SPB-1	849.	Vichi, Castellote, et al., 2003	30. m/0.25 mm/0.25 μm, He, 40. C @ 10. min, 3. K/min; T_end: 200. C
Capillary	SPB-1	848.	Vichi, Pizzale, et al., 2003	30. m/0.25 mm/0.25 μm, He, 40. C @ 10. min, 3. K/min; T_end: 200. C
Capillary	HP-5	864.	Isidorov and Jdanova, 2002	3. K/min; Column length: 30. m; Column diameter: 0.25 mm; T_start: 50. C; T_end: 200. C
Capillary	SPB-5	875.	Kim and Lee, 2002	60. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 5. K/min, 240. C @ 10. min
Capillary	SPB-5	884.	Pino, Marbot, et al., 2002, 2	30. m/0.25 mm/0.25 μm, Helium, 60. C @ 2. min, 4. K/min, 250. C @ 20. min
Capillary	DB-5	872.	Tellez, Khan, et al., 2002	30. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 240. C
Capillary	DB-5	883.	Tellez, Schrader, et al., 2001	30. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 240. C
Capillary	BP-1	864.	Health Safety Executive, 2000	50. m/0.22 mm/0.75 μm, He, 5. K/min; T_start: 50. C; T_end: 200. C
Capillary	Methyl Silicone	857.41	Baraldi, Rapparini, et al., 1999	60. m/0.25 mm/0.25 μm, 40. C @ 10. min, 5. K/min; T_end: 220. C
Capillary	HP-5	868.	Jung, Wichmann, et al., 1999	25. m/0.20 mm/0.33 μm, 50. C @ 3. min, 5. K/min; T_end: 180. C
Capillary	DB-5	872.	Meynier, Novelli, et al., 1999	30. m/0.32 mm/1. μm, 40. C @ 5. min, 3. K/min; T_end: 200. C
Capillary	OV-1	860.	Orav, Kailas, et al., 1999	2. K/min; T_start: 50. C; T_end: 160. C
Capillary	OV-101	857.	Orav, Kailas, et al., 1999, 2	50. m/0.20 mm/0.50 μm, Helium, 30. C @ 6. min, 1. K/min; T_end: 100. C
Capillary	DB-5	865.	Kondjoyan, Viallon, et al., 1997	60. m/0.32 mm/1. μm, 40. C @ 5. min, 3. K/min, 200. C @ 2. min
Capillary	HP-5	875.8	Wang and Fingas, 1995	30. m/0.25 mm/0.25 μm, He, 35. C @ 2. min, 10. K/min, 300. C @ 10. min
Capillary	DB-5 MS	865.	Gomez and Ledbetter, 1994	Helium, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; T_start: 50. C; T_end: 250. C
Capillary	DB-1	854.	Shiota, 1993	30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 5. K/min; T_end: 240. C
Capillary	DB-1	859.	Shiota, 1993	30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 5. K/min; T_end: 240. C
Capillary	DB-1	860.	Ciccioli, Cecinato, et al., 1992	60. m/0.32 mm/1.2 μm, He, 30. C @ 10. min, 3. K/min; T_end: 240. C
Capillary	OV-1	849.	Guan, Zheng, et al., 1992	50. m/0.32 mm/0.52 μm, H2, 1. K/min; T_start: 30. C
Capillary	OV-1	852.	Guan, Zheng, et al., 1992	50. m/0.32 mm/0.52 μm, H2, 2. K/min; T_start: 35. C
Capillary	CP Sil 5 CB	851.	Hartgers, Damste, et al., 1992	25. m/0.32 mm/0.45 μm, He, 0. C @ 5. min, 3. K/min, 320. C @ 10. min
Capillary	OV-101	848.	Misharina, Golovnya, et al., 1991	50. m/0.32 mm/0.5 μm, He, 4. K/min; T_start: 50. C; T_end: 250. C
Capillary	OV-101	859.	Zenkevich and Ventura, 1991	Helium, 50. C @ 0. min, 5. K/min, 240. C @ 0. min; Column length: 54. m; Column diameter: 0.26 mm
Capillary	DB-1	853.	Binder, Benson, et al., 1990	4. K/min, 230. C @ 10. min; Column length: 60. m; Column diameter: 0.32 mm; T_start: 50. C
Capillary	DB-1	853.	Binder, Turner, et al., 1990	4. K/min, 230. C @ 10. min; T_start: 50. C
Capillary	HP-1	853.8	Yin and Sun, 1990	12. m/0.2 mm/0.33 μm, 40. C @ 0.395 min, 16. K/min
Capillary	HP-1	847.7	Yin and Sun, 1990	12. m/0.2 mm/0.33 μm, 40. C @ 0.4 min, 4. K/min
Capillary	HP-1	854.	Yin and Sun, 1990	12. m/0.2 mm/0.33 μm, 40. C @ 0.801 min, 8. K/min
Capillary	HP-1	855.1	Yin and Sun, 1990	25. m/0.32 mm/0.52 μm, 40. C @ 0.8 min, 8. K/min
Capillary	HP-1	854.9	Yin and Sun, 1990	50. m/0.2 mm/0.11 μm, 40. C @ 3.194 min, 6. K/min
Capillary	OV-101	866.	Matisová, Kovacicová, et al., 1989	He, 1. K/min; Column length: 50. m; Column diameter: 0.20 mm; T_start: 80. C; T_end: 190. C
Capillary	OV-101	860.	Sugisawa, Yang, et al., 1989	N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; T_start: 80. C; T_end: 200. C
Capillary	OV-101	861.	Sugisawa, Yang, et al., 1989	N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; T_start: 80. C; T_end: 200. C
Capillary	Squalane	849.3	Krupcik, Cellar, et al., 1986	0.1 K/min; Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	851.5	Krupcik, Cellar, et al., 1986	0.2 K/min; Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	854.7	Krupcik, Cellar, et al., 1986	0.4 K/min; Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	857.1	Krupcik, Cellar, et al., 1986	0.6 K/min; Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	859.1	Krupcik, Cellar, et al., 1986	0.8 K/min; Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	848.	Krupcik, Cellar, et al., 1986, 2	0.1 K/min; Column length: 180. m; Column diameter: 0.25 mm; T_start: 40. C
Capillary	Squalane	851.	Krupcik, Cellar, et al., 1986, 2	0.2 K/min; Column length: 180. m; Column diameter: 0.25 mm; T_start: 40. C
Capillary	Squalane	854.	Krupcik, Cellar, et al., 1986, 2	0.4 K/min; Column length: 180. m; Column diameter: 0.25 mm; T_start: 40. C
Capillary	Squalane	856.	Krupcik, Cellar, et al., 1986, 2	0.6 K/min; Column length: 180. m; Column diameter: 0.25 mm; T_start: 40. C
Capillary	Squalane	858.	Krupcik, Cellar, et al., 1986, 2	0.8 K/min; Column length: 180. m; Column diameter: 0.25 mm; T_start: 40. C
Capillary	DB-1	851.	Habu, Flath, et al., 1985	3. K/min; Column length: 50. m; Column diameter: 0.32 mm; T_start: 0. C; T_end: 250. C
Capillary	OV-101	852.	del Rosario, de Lumen, et al., 1984	He, 0. C @ 1. min, 3. K/min; Column length: 50. m; Column diameter: 0.31 mm; T_end: 225. C
Capillary	SE-30	854.	Heydanek and McGorrin, 1981	He, 40. C @ 3. min, 3. K/min; Column length: 50. m; Column diameter: 0.5 mm; T_end: 170. C
Packed	Apiezon L	832.	Dahlmann, Köser, et al., 1979	Chromosorb G-AW-DMCS, 10. K/min; Column length: 2. m; T_start: 25. C

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	HP-5 MS	862.	Kotowska, Zalikowski, et al., 2012	30. m/0.25 mm/0.25 μm, Helium; Program: not specified
Capillary	DB-5	881.	Courtois, Paine, et al., 2009	30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C m6 0C/min -> 140 0C 5 0C/min -> 160 0C (1 min) 10 0C/min -> 200 0C
Capillary	HP-5	875.	Rotsatschakul, Visesanguan, et al., 2009	60. m/0.25 mm/0.25 μm, Helium; Program: 30 0C (2 min) 2 0Cmin -> 60 0C 10 0C/min -> 100 0C 20 0C/min -> 140 0C 10 0C/min -> 200 0C (10 min)
Capillary	Nonpolar	875.	Staples and Zeiger, 2008	Program: not specified
Capillary	Nonpolar	875.	Staples and Zeiger, 2008	Program: not specified
Capillary	Nonpolar	889.	Staples and Zeiger, 2008	Program: not specified
Capillary	HP-5	870.	Ventanas, Estevez, et al., 2008	50. m/0.32 mm/1.05 μm, Helium; Program: 40 0C (10 min) 5 0C/min -> 200 0C 15 0C/min -> 250 0C (10 min)
Capillary	HP-5	868.	Zhao, Li, et al., 2008	30. m/0.25 mm/0.25 μm; Program: 40 0C (2 min) 5 0C/min -> 80 0C 7 oC/min -> 160 0C 9 0C/min -> 200 0C 20 0C/min -> 280 0C (10 min)
Capillary	HP-5	872.	Zhao, Li, et al., 2008	30. m/0.25 mm/0.25 μm; Program: not specified
Capillary	Methyl Silicone	864.	Blunden, Aneja, et al., 2005	60. m/0.32 mm/1.0 μm, Helium; Program: -50 0C (2 min) 8 0C/min -> 200 0C (7.75 min) 25 0C -> 225 0C (8 min)
Capillary	MDN-5	866.	Jelen and Grabarkiewicz-Szczesna, 2005	30. m/0.25 mm/0.25 μm; Program: not specified
Capillary	HP-5MS	864.	Vichi, Pizzale, et al., 2005	30. m/0.25 mm/0.25 μm; Program: 40C(3min) => 4C/min => 75C => 8C/min => 250C
Capillary	HP-5	875.	Garcia-Estaban, Ansorena, et al., 2004	50. m/0.32 mm/1.05 μm; Program: 40C(10min) => 5C/min => 200C => 20C/min => 250C(5min)
Capillary	DB-5	875.	Garcia-Estaban, Ansorena, et al., 2004, 2	50. m/0.32 mm/1.05 μm; Program: 40C(10min) => 5C/min => 200C => 20C/min => 250C (5min)
Capillary	SE-30	860.	Vinogradov, 2004	Program: not specified
Capillary	SPB-5	864.	Begnaud, Pérès, et al., 2003	60. m/0.32 mm/1. μm; Program: not specified
Capillary	Polymethylsiloxane, (PMS-20000)	861.	Cornwell and Cordano, 2003	Program: not specified
Capillary	HP-5MS	888.	Ansorena, Gimeno, et al., 2001	30. m/0.25 mm/0.25 μm, He; Program: 40C (10min) => 3C/min => 120C => 10C/min => 250C (5min)
Capillary	BP-1	848.46	Cooke, Hassoun, et al., 2001	50. m/0.25 mm/1. μm, He; Program: -50C => 49.9C/min => 5C(3min) => 3C/min => 50C => 5C/min => 220C(20 min)
Capillary	OV-101	867.	Zhu and Wang, 2001	Program: not specified
Capillary	DB-1	857.	Zhu and Wang, 2001	Program: not specified
Capillary	BPX-5	878.	Madruga, Arruda, et al., 2000	50. m/0.32 mm/0.50 μm, Helium; Program: 40 0C (5 min) 20 0C/min -> 60 0C (5 min) 4 0C/min -> 250 0C (10 min)
Capillary	Methyl Silicone	864.	Spieksma, 1999	Program: not specified
Capillary	DB-1	844.	Yen and Lin, 1999	60. m/0.32 mm/0.25 μm, N2; Program: 40 0C (10 min) 40 - 80 0C at 2 0C/min 80 - 200 0C at 5 0C/min 200 0C (10 min)
Capillary	Methyl Silicone	863.	Zenkevich, 1998	Program: not specified
Capillary	SPB-1	870.	Flanagan, Streete, et al., 1997	60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
Capillary	Methyl Silicone	863.	Zenkevich and Tsibulskaya, 1997	Program: not specified
Capillary	DB-5	904.	Mateo and Zumalacárregui, 1996	50. m/0.32 mm/0.25 μm, He; Program: 40C (10min) => 3C/min => 95C => 10C/min => 270C (10min)
Capillary	DB-5	873.	Mateo and Zumalacárregui, 1996	50. m/0.32 mm/0.25 μm, He; Program: 40C (10min) => 3C/min => 95C => 10C/min => 270C (10min)
Capillary	DB-1	875.	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	SE-30	861.	Xiuhua, Zhang, et al., 1996	Program: not specified
Capillary	SE-30	867.	Xiuhua, Zhang, et al., 1996	Program: not specified
Capillary	DB-1	855.	Ciccioli, Cecinato, et al., 1994	60. m/0.32 mm/0.25 μm; Program: not specified
Capillary	OV-101	866.	Dimov, Osman, et al., 1994	Program: not specified
Capillary	DB-1	863.	Schuberth, 1994	30. m/0.25 mm/1. μm, He; Program: 40C (4min) => 10C/min => 200C => 50C/min => 250C
Capillary	DB-1	855.	Ciccioli, Brancaleoni, et al., 1993	60. m/0.32 mm/0.25 μm; Program: 3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/min
Capillary	SPB-1	870.	Strete, Ruprah, et al., 1992	60. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C
Capillary	SPB-1	870.	Strete, Ruprah, et al., 1992	60. m/0.53 mm/5.0 μm, Helium; Program: not specified
Capillary	OV-1	865.6	Engewald and Maurer, 1990	Column length: 60. m; Column diameter: 0.32 mm; Program: 1) 1st 30m column temp ramp 4C/min 60-120C 2)2nd 30m column isothermal 100C
Capillary	OV-1	871.8	Engewald and Maurer, 1990	Column length: 60. m; Column diameter: 0.32 mm; Program: 1) 1st 30m column temp ramp 4C/min 60-120C. 2) 2nd 30m column isothermal 120C.
Capillary	OV-1	871.3	Engewald and Maurer, 1990	Column length: 60. m; Column diameter: 0.32 mm; Program: 1) 1st 30m column temp ramp 6C/min 60-120C. 2) 2nd 30m column isothermal 120C.
Capillary	OV-1	870.7	Engewald and Maurer, 1990	Column length: 60. m; Column diameter: 0.32 mm; Program: 1)1st 30m column temp ramp 3C/min 60-120 2)2nd 30m column isothermal 120C
Capillary	Squalane	861.9	Dimov and Mekenyan, 1989	Program: not specified
Capillary	CP Sil 8 CB	868.	Weller and Wolf, 1989	40. m/0.25 mm/0.25 μm, He; Program: 30 0C (1 min) 15 0C/min -> 45 0C 3 0C/min -> 120 0C
Capillary	methyl silicone oil with 5% Igepal	853.	Schultz, Flath, et al., 1988	Column length: 150. m; Column diameter: 0.75 mm; Program: not specified
Capillary	methyl silicone oil with 5% Igepal	855.	Schultz, Flath, et al., 1988	Column length: 150. m; Column diameter: 0.75 mm; Program: not specified
Capillary	DB-1	846.	Takeoka, Flath, et al., 1988	30. m/0.25 mm/0.25 μm, H2; Program: 30C (2min) => 2C/min => 150C => 4C/min => 250C
Capillary	DB-1	853.	Takeoka, Flath, et al., 1988	30. m/0.25 mm/0.25 μm, H2; Program: 30C (2min) => 2C/min => 150C => 4C/min => 250C
Capillary	OV-101	860.	Shibamoto, 1987	Program: not specified
Capillary	SE-52	876.	van Langenhove and Schamp, 1986	Column length: 100. m; Column diameter: 0.50 mm; Program: not specified
Capillary	OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.	858.	Waggott and Davies, 1984	Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
Capillary	OV-1	860.	Ramsey and Flanagan, 1982	Program: not specified
Packed	SE-30	874.	Robinson and Odell, 1971	N2, Chromosorb W; Column length: 6.1 m; Program: 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold)
Packed	Squalane	864.	Robinson and Odell, 1971	N2, Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min => 35 => 4C/min => 95C(hold)

Normal alkane RI, polar column, isothermal

View large format table.

Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	Carbowax 20M	100.	1165.	Sun, Siepmann, et al., 2006	30. m/0.25 mm/0.25 μm, Helium
Capillary	Carbowax 20M	120.	1176.	Sun, Siepmann, et al., 2006	30. m/0.25 mm/0.25 μm, Helium
Capillary	Carbowax 20M	60.	1142.	Sun, Siepmann, et al., 2006	30. m/0.25 mm/0.25 μm, Helium
Capillary	Carbowax 20M	80.	1153.	Sun, Siepmann, et al., 2006	30. m/0.25 mm/0.25 μm, Helium
Capillary	DB-Wax	60.	1155.	Shimadzu, 2003, 2	50. m/0.32 mm/1. μm, He
Capillary	PEG-40M	100.	1150.	Nesterov, Nesterova, et al., 2000	Column length: 50. m
Capillary	PEG-40M	100.	1154.	Nesterov, Nesterova, et al., 2000	Column length: 50. m
Capillary	PEG-40M	120.	1168.	Nesterov, Nesterova, et al., 2000	Column length: 50. m
Capillary	PEG-40M	140.	1178.	Nesterov, Nesterova, et al., 2000	Column length: 50. m
Capillary	PEG-40M	60.	1132.	Nesterov, Nesterova, et al., 2000	Column length: 50. m
Capillary	PEG-40M	80.	1141.	Nesterov, Nesterova, et al., 2000	Column length: 50. m
Capillary	Carbowax 20M	90.	1119.	Sutter, Peterson, et al., 1997

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	CP-Wax CB	1136.	Alves, da Penha, et al., 2012	30. m/0.25 mm/0.25 μm, Helium, 2. K/min, 150. C @ 5. min; T_start: 50. C
Capillary	HP-Innowax	1101.	Puvipirom and Chaisei, 2012	15. m/0.32 mm/0.50 μm, Helium, 3. K/min; T_start: 40. C; T_end: 250. C
Capillary	DB-Wax	1154.	Shimadzu, 2012	30. m/0.32 mm/0.50 μm, Helium, 4. K/min; T_start: 40. C; T_end: 260. C
Capillary	DB-FFAP	1114.	Czerny, Brueckner, et al., 2011	30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 8. K/min, 230. C @ 5. min
Capillary	HP-Innowax	1137.	Soria, Sanz, et al., 2008	50. m/0.20 mm/0.20 μm, Helium, 45. C @ 2. min, 4. K/min, 190. C @ 50. min
Capillary	BP-20	1149.	Rawat, Gulati, et al., 2007	30. m/0.25 mm/0.25 μm, He, 70. C @ 4. min, 4. K/min, 220. C @ 5. min
Capillary	Stabilwax DA	1111.	Nogueira, Lubachevsky, et al., 2005	60. m/0.25 mm/0.5 μm, 40. C @ 5. min, 5. K/min; T_end: 180. C
Capillary	PEG-20M	1140.	Narain, Almeida, et al., 2004	50. m/0.20 mm/0.20 μm, 40. C @ 5. min, 3. K/min, 180. C @ 30. min
Capillary	HP-Innowax	1113.	Soria, Gonzalez, et al., 2004	50. m/0.2 mm/0.2 μm, He, 45. C @ 2. min, 4. K/min, 190. C @ 50. min
Capillary	DB-Wax	1149.	Yanagimoto, Ochi, et al., 2004	30. m/0.25 mm/0.25 μm, He, 3. K/min, 180. C @ 40. min; T_start: 50. C
Capillary	DB-Wax	1129.	Tanaka, Yamauchi, et al., 2003	30. m/0.25 mm/0.25 μm, 30. C @ 1. min, 4. K/min; T_end: 250. C
Capillary	DB-Wax	1129.	Tanaka, Yamauchi, et al., 2003	30. m/0.25 mm/0.25 μm, 30. C @ 1. min, 4. K/min; T_end: 250. C
Capillary	Supelcowax-10	1133.	Vichi, Castellote, et al., 2003	30. m/0.25 mm/0.25 μm, He, 40. C @ 10. min, 3. K/min; T_end: 200. C
Capillary	Supelcowax-10	1129.	Vichi, Pizzale, et al., 2003	30. m/0.25 mm/0.25 μm, He, 40. C @ 10. min, 3. K/min; T_end: 200. C
Capillary	RTX-Wax	1164.	Galindo-Cuspinera, Lubran, et al., 2002	60. m/0.25 mm/0.5 μm, He, 40. C @ 5. min, 5. K/min, 180. C @ 20. min
Capillary	HP-Wax	1146.	Sanz, Maeztu, et al., 2002	60. m/0.25 mm/0.5 μm, He, 40. C @ 6. min, 3. K/min; T_end: 190. C
Capillary	Supelcowax-10	1142.	Girard and Durance, 2000	60. m/0.25 mm/0.25 μm, He, 35. C @ 10. min, 4. K/min; T_end: 200. C
Capillary	DB-Wax	1131.	Umano, Hagi, et al., 2000	60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 2. K/min; T_end: 200. C
Capillary	DB-Wax	1138.	Pollak and Berger, 1996	30. m/0.32 mm/0.5 μm, He, 40. C @ 1. min, 3. K/min, 210. C @ 25. min
Capillary	DB-Wax	1133.	Umano, Hagi, et al., 1995	He, 40. C @ 2. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; T_end: 200. C
Capillary	DB-Wax	1132.	Shimoda, Shiratsuchi, et al., 1993	60. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 2. K/min; T_end: 230. C
Capillary	Carbowax 20M	1115.	Herain, MRAVEC, et al., 1991	70. C @ 21. min, 5. K/min, 150. C @ 999. min
Capillary	DB-Wax	1132.	Binder, Benson, et al., 1990	4. K/min, 230. C @ 10. min; Column length: 60. m; Column diameter: 0.32 mm; T_start: 50. C
Capillary	DB-Wax	1132.	Binder, Turner, et al., 1990	4. K/min, 230. C @ 10. min; Column length: 60. m; Column diameter: 0.32 mm; T_start: 50. C
Capillary	BP-20	1140.	MacLeod and Snyder, 1985	70. C @ 5. min, 3. K/min; Column length: 25. m; Column diameter: 0.2 mm; T_end: 180. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	HP-Innowax	1153.	Cajka, Riddellova, et al., 2010	30. m/0.25 mm/0.25 μm, Helium; Program: 45 0C (1 min) 5 oC/min -> 170 0C 10 0C/min -> 260 0C (1 min)
Capillary	DB-Wax	1164.	Kadar, Juan-Borras, et al., 2010	60. m/0.32 mm/1.0 μm, Helium; Program: 40 0C (2 min) 4 0C/min -> 190 0C (11 min) 8 0C/min -> 220 0C (8 min)
Capillary	Supelko CO Wax	1138.	Vekiari, Orepoulou, et al., 2010	60. m/0.32 mm/0.25 μm, Helium; Program: 40 0C (5 min) 4 0C/min -> 75 0C 5 0C/min -> 250 0C (10 min)
Capillary	Supelko CO Wax	1142.	Vekiari, Orepoulou, et al., 2010	60. m/0.32 mm/0.25 μm, Helium; Program: not specified
Capillary	BP-20	1173.	Rodrigues, Caldera, et al., 2008	30. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (1 min) 2 0C/min -> 100 0C (2 min) 1.7 0C/min -> 180 0C (1 min) 25 0C/min -> 220 0C (10 min)
Capillary	Supelcowax 10	1137.	Soria, Martinez-Castro, et al., 2008	50. m/0.25 mm/0.25 μm, Helium; Program: 45 0C (15 min) 3 0C/min -> 75 0C 5 0C/min -> 180 0C (10 min)
Capillary	Supelcowax-10	1127.	Berard, Bianchi, et al., 2007	30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min)
Capillary	Supelcowax-10	1129.	Berard, Bianchi, et al., 2007	30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min)
Capillary	HP-Innowax	1120.	Narain, Galvao, et al., 2007	30. m/0.25 mm/0.25 μm, He; Program: 30C(5min) => 7C/min => 100C(5min) => 1C/min => 130C => 10C/min => 195C(45min)
Capillary	HP-Innowax	1120.	Narain, Galvao, et al., 2007	30. m/0.25 mm/0.25 μm, He; Program: 30C(5min) => 7C/min => 100C(5min) => 1C/min => 130C => 10C/min => 195C(45min)
Capillary	Supelcowax-10	1142.	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	Supelcowax-10	1123.	Vichi, Pizzale, et al., 2005	30. m/0.25 mm/0.25 μm; Program: 40C(3min) => 4C/min => 75C => 8C/min => 250C
Capillary	Carbowax 20M	1140.	Vinogradov, 2004	Program: not specified
Capillary	Carbowax 20M	1139.	Cornwell and Cordano, 2003	Program: not specified
Capillary	Supelcowax-10	1137.	Kim and Lee, 2002	60. m/0.25 mm/0.25 μm, He; Program: 40C (7min) => 4C/min => 150C => 8C/min => 240C (10min)
Capillary	Carbowax 20M	1119.	Ivanciuc, Ivanciuc, et al., 2001	Program: not specified
Capillary	DB-Wax	1145.	Piveteau, le Guen, et al., 2000	60. m/0.32 mm/0.5 μm, He; Program: 50C(6min) => 1C/min => 130C => 10C/min => 240C (15min)
Capillary	DB-Wax	1155.	Peng, 1996	30. m/0.53 mm/1.0 μm; Program: 40 0C (4 min) 4 0C/min -> 200 0C (20 min)
Capillary	PEG-20M	1139.	Xiuhua, Zhang, et al., 1996	Program: not specified
Capillary	CP-Wax 52CB	1132.	Luning, de Rijk, et al., 1994	50. m/0.32 mm/1.5 μm; Program: 40C => 2C/min => 150C => 10C/min => 250C
Capillary	DB-Wax	1138.	Peng, Yang, et al., 1991	Program: not specified
Capillary	DB-Wax	1155.	Peng, Yang, et al., 1991	Program: not specified
Capillary	CP-Wax 52CB	1110.	Vernin, 1991	Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
Capillary	Carbowax 20M	1126.	Dimov and Mekenyan, 1989	Program: not specified
Capillary	Carbowax 20M	1140.	Shibamoto, 1987	Program: not specified
Capillary	Carbowax 20M	1140.	Ramsey and Flanagan, 1982	Program: not specified
Capillary	Polyethylene Glycol	1150.	MacLeod and Pieris, 1981	Program: not specified

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	HP-5	120.4	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	120.4	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

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-5MS	121.2	Aracil, Font, et al., 2005	Column length: 60. m; Column diameter: 0.25 mm; Program: not specified
Capillary	HP-5MS	136.39	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

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes

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Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References

Symbols used in this document:

AE	Appearance energy
C_p,gas	Constant pressure heat capacity of gas
C_p,liquid	Constant pressure heat capacity of liquid
EA	Electron affinity
IE (evaluated)	Recommended ionization energy
P_c	Critical pressure
S°_liquid	Entropy of liquid at standard conditions
T	Temperature
T_boil	Boiling point
T_c	Critical temperature
T_fus	Fusion (melting) point
T_triple	Triple point temperature
V_c	Critical volume
d(ln(k_H))/d(1/T)	Temperature dependence parameter for Henry's Law constant
k°_H	Henry's Law constant at 298.15K
Δ_cH°_liquid	Enthalpy of combustion of liquid at standard conditions
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions
Δ_fH°_liquid	Enthalpy of formation of liquid at standard conditions
Δ_fusH	Enthalpy of fusion
Δ_fusS	Entropy of fusion
Δ_rG°	Free energy of reaction at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions
Δ_rS°	Entropy of reaction at standard conditions
Δ_subH	Enthalpy of sublimation
Δ_vapH	Enthalpy of vaporization
Δ_vapH°	Enthalpy of vaporization at standard conditions
ρ_c	Critical density

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
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p-Xylene

Data at NIST subscription sites:

Gas phase thermochemistry data

Constant pressure heat capacity of gas

Constant pressure heat capacity of gas

Condensed phase thermochemistry data

Constant pressure heat capacity of liquid

Phase change data

Enthalpy of vaporization

Enthalpy of vaporization

Antoine Equation Parameters

Enthalpy of sublimation

Enthalpy of fusion

Entropy of fusion

Reaction thermochemistry data

Individual Reactions

Free energy of reaction

Free energy of reaction

Free energy of reaction

Henry's Law data

Henry's Law constant (water solution)

Gas phase ion energetics data

Electron affinity determinations

Proton affinity at 298K

Gas basicity at 298K

Protonation entropy at 298K

Ionization energy determinations

Appearance energy determinations

De-protonation reactions

Ion clustering data

Clustering reactions

Free energy of reaction

Free energy of reaction

Free energy of reaction

IR Spectrum

Mass spectrum (electron ionization)

Spectrum

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Additional Data

Gas Chromatography

Kovats' RI, non-polar column, isothermal

Kovats' RI, non-polar column, temperature ramp

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

Kovats' RI, polar column, isothermal

Kovats' RI, polar column, temperature ramp

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

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

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

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

Normal alkane RI, non-polar column, isothermal

Normal alkane RI, non-polar column, temperature ramp

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

Normal alkane RI, polar column, isothermal

Normal alkane RI, polar column, temperature ramp

Normal alkane RI, polar column, custom temperature program

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

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

References

Notes