Phenol

Formula: C₆H₆O
Molecular weight: 94.1112
IUPAC Standard InChI: InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
IUPAC Standard InChIKey: ISWSIDIOOBJBQZ-UHFFFAOYSA-N
CAS Registry Number: 108-95-2
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript.
Isotopologues:
- Phenol-d6-
Other names: Carbolic acid; Baker's P and S Liquid and Ointment; Benzenol; Hydroxybenzene; Izal; Monohydroxybenzene; Monophenol; Oxybenzene; Phenic acid; Phenyl alcohol; Phenyl hydrate; Phenyl hydroxide; Phenylic acid; Phenylic alcohol; PhOH; Benzene, hydroxy-; Acide carbolique; Baker's P & S liquid & Ointment; Fenol; Fenolo; NCI-C50124; Paoscle; Phenole; Carbolsaure; NA 2821; Phenol alcohol; Phenol, molten; Rcra waste number U188; UN 1671; UN 2312; UN 2821; Phenic alcohol; NSC 36808; Campho-Phenique Cold Sore Gel (Salt/Mix); Campho-Phenique Gel (Salt/Mix); Campho-Phenique Liquid (Salt/Mix)
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Information on this page:
Data at other public NIST sites:
- Gas Phase Kinetics Database
- X-ray Photoelectron Spectroscopy Database, version 5.0
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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), UV/Visible spectrum, Gas Chromatography, References, Notes

Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_gas	-96.36 ± 0.59	kJ/mol	Ccb	Cox, 1961	ALS
Δ_fH°_gas	-96.44 ± 0.63	kJ/mol	Ccb	Andon, Biddiscombe, et al., 1960	ALS
Δ_fH°_gas	-94.2	kJ/mol	N/A	Parks, Manchester, et al., 1954	Value computed using Δ_fH_solid° value of -162.8±1.0 kj/mol from Parks, Manchester, et al., 1954 and Δ_subH° value of 68.6 kj/mol from Cox, 1961.; DRB
Δ_fH°_gas	-95.3	kJ/mol	N/A	Badoche, 1941	Value computed using Δ_fH_solid° value of -163.9 kj/mol from Badoche, 1941 and Δ_subH° value of 68.6 kj/mol from Cox, 1961.; DRB

Constant pressure heat capacity of gas

C_p,gas (J/mol*K)	Temperature (K)	Reference	Comment
33.91	50.	Kudchadker S.A., 1978	Recommended S(T) and Cp(T) values are in close agreement with statistical values calculated by [ Evans J.C., 1960, Green J.H.S., 1961]. Entropy value calculated by [ Sarin V.N., 1973] agrees well with the third-law entropy at 298.15 K but not at 400 K. Statistical values calculated by [ Ramaswamy V., 1970] seem to be erroneous.; GT
41.38	100.
54.19	150.
69.65	200.
94.61	273.15
103.22	298.15
103.86	300.
135.79	400.
161.91	500.
182.48	600.
198.84	700.
212.14	800.
223.19	900.
232.49	1000.
240.41	1100.
247.20	1200.
253.06	1300.
258.12	1400.
262.52	1500.

Condensed phase thermochemistry data

Go To: Top, Gas 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), UV/Visible spectrum, Gas Chromatography, References, Notes

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°_solid	-165.0	kJ/mol	Ccb	Cox, 1961	ALS
Δ_fH°_solid	-165.1 ± 1.3	kJ/mol	Ccb	Andon, Biddiscombe, et al., 1960	ALS
Δ_fH°_solid	-162.8 ± 1.0	kJ/mol	Ccb	Parks, Manchester, et al., 1954	ALS
Δ_fH°_solid	-163.9	kJ/mol	Ccb	Badoche, 1941	Author's hf298_condensed=-41.49 kcal/mol; ALS
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_solid	-3058. ± 10.	kJ/mol	AVG	N/A	Average of 6 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
S°_{solid,1 bar}	144.01	J/mol*K	N/A	Andon, Counsell, et al., 1963	DH
S°_{solid,1 bar}	142.7	J/mol*K	N/A	Parks, Huffman, et al., 1933	Extrapolation below 90 K, 49.04 J/mol*K.; DH

Constant pressure heat capacity of solid

C_p,solid (J/mol*K)	Temperature (K)	Reference	Comment
127.21	298.15	Nichols and Wads, 1975	DH
199.8	313.	Rastorguev and Ganiev, 1967	T = 313 to 373 K.; DH
127.44	298.15	Andon, Counsell, et al., 1963	T = 13 to 336 K.; DH
93.7	293.	Campbell and Campbell, 1940	DH
103.8	229.3	Aoyama and Kanda, 1935	T = 78 to 229 K. Value is unsmoothed experimental datum.; DH
133.09	295.8	Parks, Huffman, et al., 1933	T = 93 to 296 K. Value is unsmoothed experimental datum.; DH

Phase change data

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

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
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis

Quantity	Value	Units	Method	Reference	Comment
T_boil	455.0 ± 0.6	K	AVG	N/A	Average of 25 out of 27 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
T_fus	314. ± 1.	K	AVG	N/A	Average of 60 out of 61 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
T_triple	314.06	K	N/A	Andon, Counsell, et al., 1963, 2	Uncertainty assigned by TRC = 0.01 K; TRC
Quantity	Value	Units	Method	Reference	Comment
T_c	694.3	K	N/A	Delaunois, 1968	Uncertainty assigned by TRC = 0.4 K; TRC
T_c	694.25	K	N/A	Ambrose, 1963	Uncertainty assigned by TRC = 0.15 K; TRC
T_c	692.4	K	N/A	Radice, 1899	Uncertainty assigned by TRC = 2. K; TRC
Quantity	Value	Units	Method	Reference	Comment
P_c	59.30	bar	N/A	Delaunois, 1968	Uncertainty assigned by TRC = 0.7845 bar; TRC
P_c	61.3016	bar	N/A	Herz and Neukirch, 1923	Uncertainty assigned by TRC = 0.8106 bar; TRC
Quantity	Value	Units	Method	Reference	Comment
Δ_vapH°	58.8	kJ/mol	CGC	Chickos, Hosseini, et al., 1995	Based on data from 393. to 433. K.; AC
Quantity	Value	Units	Method	Reference	Comment
Δ_subH°	69.7 ± 0.9	kJ/mol	ME	Parsons, Rochester, et al., 1971	Based on data from 230. to 273. K.; AC
Δ_subH°	68.6	kJ/mol	N/A	Cox, 1961	DRB
Δ_subH°	68.66 ± 0.50	kJ/mol	V	Andon, Biddiscombe, et al., 1960	ALS
Δ_subH°	68.7	kJ/mol	N/A	Andon, Biddiscombe, et al., 1960	DRB

Enthalpy of vaporization

Δ_vapH (kJ/mol)	Temperature (K)	Method	Reference	Comment
53.2	378.	EB	Chylinski, Fras, et al., 2001	Based on data from 363. to 391. K.; AC
49.5	470.	A	Stephenson and Malanowski, 1987	Based on data from 455. to 655. K.; AC
57.4	329.	A	Stephenson and Malanowski, 1987	Based on data from 314. to 395. K.; AC
50.9	402.	A	Stephenson and Malanowski, 1987	Based on data from 387. to 456. K.; AC
46.8	464.	A	Stephenson and Malanowski, 1987	Based on data from 449. to 526. K.; AC
43.8	535.	A	Stephenson and Malanowski, 1987	Based on data from 520. to 625. K.; AC
51.3	398.	EB,GS	Stephenson and Malanowski, 1987	Based on data from 383. to 473. K. See also Andon, Biddiscombe, et al., 1960, 2 and Dykyj, 1972.; AC
51.4	395.	N/A	Dreisbach and Shrader, 1949	Based on data from 380. to 455. K. See also Dreisbach and Martin, 1949 and Boublik, Fried, et al., 1984.; AC
48.1	434.	N/A	Goldblum, Martin, et al., 1947	Based on data from 414. to 454. K.; AC

Antoine Equation Parameters

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

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Temperature (K)	A	B	C	Reference	Comment
380.30 to 454.90	4.24688	1509.677	-98.949	Dreisbach and Shrader, 1949	Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

Δ_subH (kJ/mol)	Temperature (K)	Method	Reference	Comment
65.3 ± 3.3	280.	HSA	Chickos, 1975	Based on data from 263. to 298. K.; AC
68.7 ± 0.5	282. to 313.	GS	Andon, Biddiscombe, et al., 1960, 2	See also Cox and Pilcher, 1970.; AC
68.2	293.	ME	Sklyarenko, Markin, et al., 1958	Based on data from 283. to 303. K.; AC
68.1	292.	N/A	Nitta and Seki, 1948	Based on data from 270. to 313. K.; AC
67.8	278. to 305.	TE	Balson, 1947	See also Jones, 1960.; AC

Enthalpy of fusion

Δ_fusH (kJ/mol)	Temperature (K)	Reference	Comment
11.514	314.06	Andon, Counsell, et al., 1963	DH
12.125	314.13	Mastrangelo, 1957	DH
11.51	314.	Inozemtsev, Liakumovich, et al., 1972	See also Domalski and Hearing, 1996.; AC
10.581	312.7	Eykman, 1889	DH

Entropy of fusion

Δ_fusS (J/mol*K)	Temperature (K)	Reference	Comment
36.66	314.06	Andon, Counsell, et al., 1963	DH
33.3	314.	Bret-Dibat and Lichanot, 1989	CAL
33.8	312.7	Eykman, 1889	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), UV/Visible spectrum, Gas Chromatography, References, Notes

Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
MS - José A. Martinho Simões

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

+ = Phenol

By formula: C₆H₅O^- + H⁺ = C₆H₆O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1462. ± 10.	kJ/mol	AVG	N/A	Average of 6 out of 7 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1432. ± 8.4	kJ/mol	IMRE	Bartmess, Scott, et al., 1979	gas phase; Shiner, Vorner, et al., 1986: tautomer acidities ΔHacid(ortho) = 343.9±3.1 kcal, para = 340.1±2 kcal. However, Capponi, Gut, et al., 1999 based on aq. soln. results, imply 18 and 14 kcal/mol difference.; value altered from reference due to change in acidity scale; B
Δ_rG°	1426. ± 7.9	kJ/mol	CIDC	Angel and Ervin, 2004	gas phase; B
Δ_rG°	1437. ± 8.4	kJ/mol	IMRE	Cumming and Kebarle, 1978	gas phase; B
Δ_rG°	>1429. ± 7.5	kJ/mol	H-TS	Richardson, Stephenson, et al., 1975	gas phase; B

+ Phenol = ( • Phenol )

By formula: Cl^- + C₆H₆O = (Cl^- • C₆H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	109. ± 8.4	kJ/mol	TDAs	French, Ikuta, et al., 1982	gas phase; B,M
Δ_rH°	109. ± 8.4	kJ/mol	TDEq	Cummings, French, et al., 1977	gas phase; Re-anchored to data in French, Ikuta, et al., 1982.; B
Δ_rH°	115.	kJ/mol	PHPMS	Kebarle, 1977	gas phase; M
Δ_rH°	111.	kJ/mol	PHPMS	Paul and Kebarle, 1990	gas phase; Entropy change calculated or estimated; M
Δ_rH°	81.2 ± 8.4	kJ/mol	TDAs	Yamdagni and Kebarle, 1971	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	109.	J/mol*K	PHPMS	French, Ikuta, et al., 1982	gas phase; M
Δ_rS°	100.	J/mol*K	PHPMS	Kebarle, 1977	gas phase; M
Δ_rS°	100.	J/mol*K	N/A	Paul and Kebarle, 1990	gas phase; Entropy change calculated or estimated; M
Δ_rS°	64.9	J/mol*K	PHPMS	Yamdagni and Kebarle, 1971	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	80.3 ± 8.4	kJ/mol	TDAs	French, Ikuta, et al., 1982	gas phase; B
Δ_rG°	77.4 ± 8.4	kJ/mol	TDEq	Cummings, French, et al., 1977	gas phase; Re-anchored to data in French, Ikuta, et al., 1982.; B
Δ_rG°	61.9 ± 8.4	kJ/mol	TDAs	Yamdagni and Kebarle, 1971	gas phase; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
66.5	423.	PHPMS	Paul and Kebarle, 1990	gas phase; Entropy change calculated or estimated; M

+ Phenol = ( • Phenol )

By formula: F^- + C₆H₆O = (F^- • C₆H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	173. ± 8.4	kJ/mol	IMRE	Larson and McMahon, 1983	gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	110.	J/mol*K	N/A	Larson and McMahon, 1983	gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	140. ± 8.4	kJ/mol	IMRE	Larson and McMahon, 1983	gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B,M

+ Phenol = ( • Phenol )

By formula: Br^- + C₆H₆O = (Br^- • C₆H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	87.0 ± 7.5	kJ/mol	IMRE	Paul and Kebarle, 1990	gas phase; ΔGaff at 423 K; B,M
Δ_rH°	82.0	kJ/mol	PHPMS	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	84.	J/mol*K	N/A	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M
Δ_rS°	96.	J/mol*K	N/A	Paul and Kebarle, 1990	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	46.4 ± 4.2	kJ/mol	IMRE	Paul and Kebarle, 1990	gas phase; ΔGaff at 423 K; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
46.4	423.	PHPMS	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M
46.4	423.	PHPMS	Paul and Kebarle, 1990	gas phase; Entropy change calculated or estimated; M

+ Phenol = ( • Phenol )

By formula: I^- + C₆H₆O = (I^- • C₆H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	72.4 ± 7.5	kJ/mol	IMRE	Paul and Kebarle, 1990	gas phase; ΔGaff at 423 K; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	88.	J/mol*K	N/A	Paul and Kebarle, 1990	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	35. ± 4.2	kJ/mol	IMRE	Paul and Kebarle, 1990	gas phase; ΔGaff at 423 K; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
35.	423.	PHPMS	Paul and Kebarle, 1990	gas phase; Entropy change calculated or estimated; M

+ Phenol = ( • Phenol )

By formula: C₂H₃O₂^- + C₆H₆O = (C₂H₃O₂^- • C₆H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	109. ± 4.2	kJ/mol	N/A	Meot-Ner and Sieck, 1986	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	100.	J/mol*K	PHPMS	Meot-Ner and Sieck, 1986	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	79.1 ± 6.7	kJ/mol	TDAs	Meot-Ner and Sieck, 1986	gas phase; B

+ Phenol = ( • Phenol )

By formula: Na⁺ + C₆H₆O = (Na⁺ • C₆H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	102. ± 3.	kJ/mol	CIDT	Amunugama and Rodgers, 2002	RCD
Δ_rH°	98. ± 3.	kJ/mol	CIDT	Armentrout and Rodgers, 2000	RCD

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
69.9	298.	IMRE	McMahon and Ohanessian, 2000	Anchor alanine=39.89; RCD

Phenol + = +

By formula: C₆H₆O + C₁₂H₁₈O = C₉H₁₂O + C₉H₁₂O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-0.7 ± 1.0	kJ/mol	Eqk	Nesterova, Pimerzin, et al., 1989	liquid phase; Isomerization; ALS
Δ_rH°	-0.7 ± 1.0	kJ/mol	Eqk	Nesterova, Pilyshchikov, et al., 1983	liquid phase; GC; ALS

C₂₂H₂₀O₂Ti (cr) + 2( • 5.55) (solution) = 2 Phenol (cr) + (cr)

By formula: C₂₂H₂₀O₂Ti (cr) + 2(HCl • 5.55H₂O) (solution) = 2C₆H₆O (cr) + C₁₀H₁₀Cl₂Ti (cr)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-5.8 ± 2.5	kJ/mol	RSC	Dias, Salema, et al., 1981	Please also see Calhorda, Carrondo, et al., 1986.; MS

Phenol (solution) + C₅H₁₁BrMg (solution) = C₆H₅BrMgO (solution) + (solution)

By formula: C₆H₆O (solution) + C₅H₁₁BrMg (solution) = C₆H₅BrMgO (solution) + C₅H₁₂ (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-202.5 ± 4.2	kJ/mol	RSC	Holm, 1983	solvent: Diethyl ether; MS

C₂₀H₃₂Zr (solution) + Phenol (solution) = C₂₆H₃₆OZr (solution) + (g)

By formula: C₂₀H₃₂Zr (solution) + C₆H₆O (solution) = C₂₆H₃₆OZr (solution) + H₂ (g)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-132.6 ± 1.7	kJ/mol	RSC	Schock and Marks, 1988	solvent: Toluene; MS

C₂₆H₃₆OZr (solution) + Phenol (solution) = C₃₂H₄₀O₂Zr (solution) + (g)

By formula: C₂₆H₃₆OZr (solution) + C₆H₆O (solution) = C₃₂H₄₀O₂Zr (solution) + H₂ (g)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-86.6 ± 2.9	kJ/mol	RSC	Schock and Marks, 1988	solvent: Toluene; MS

+ = Phenol +

By formula: C₈H₈O₂ + H₂O = C₆H₆O + C₂H₄O₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-28.7 ± 0.2	kJ/mol	Cm	Wadso, 1960	liquid phase; Heat of hydrolysis; ALS

Phenol + = +

By formula: C₆H₆O + C₁₄H₂₂O = C₁₀H₁₄O + C₁₀H₁₄O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-2.6 ± 1.1	kJ/mol	Eqk	Nesterova, Pimerzin, et al., 1989	liquid phase; Isomerization; ALS

Phenol + C₁₈H₃₀O = +

By formula: C₆H₆O + C₁₈H₃₀O = C₁₄H₂₂O + C₁₀H₁₄O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-1.7 ± 1.5	kJ/mol	Eqk	Nesterova, Pimerzin, et al., 1989	liquid phase; Isomerization; ALS

Phenol + = +

By formula: C₆H₆O + C₁₄H₂₂O = C₁₀H₁₄O + C₁₀H₁₄O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-3.2 ± 1.9	kJ/mol	Eqk	Nesterova, Pimerzin, et al., 1989	liquid phase; Isomerization; ALS

Phenol + = 2

By formula: C₆H₆O + C₁₄H₂₂O = 2C₁₀H₁₄O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-1.3 ± 2.1	kJ/mol	Eqk	Nesterova, Pimerzin, et al., 1989	liquid phase; Isomerization; ALS

C₆H₅NaO (cr) + ( • 552) (solution) = Phenol (cr) + (cr)

By formula: C₆H₅NaO (cr) + (HCl • 552H₂O) (solution) = C₆H₆O (cr) + ClNa (cr)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-78.0 ± 5.7	kJ/mol	RSC	Leal, Pires de Matos, et al., 1991	MS

Phenol + = +

By formula: C₆H₆O + C₁₄H₂₂O = C₁₀H₁₄O + C₁₀H₁₄O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	0.08 ± 0.71	kJ/mol	Eqk	Pil'shchikov, Nesterova, et al., 1981	liquid phase; ALS

Phenol + = +

By formula: C₆H₆O + C₁₄H₂₂O = C₁₀H₁₄O + C₁₀H₁₄O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-0. ± 4.	kJ/mol	Eqk	Pil'shchikov, Nesterova, et al., 1981	liquid phase; ALS

( • Phenol ) + Phenol = ( • 2 Phenol )

By formula: (Li⁺ • C₆H₆O) + C₆H₆O = (Li⁺ • 2C₆H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	115. ± 3.	kJ/mol	CIDT	Amunugama and Rodgers, 2002	RCD

( • Phenol ) + Phenol = ( • 2 Phenol )

By formula: (Na⁺ • C₆H₆O) + C₆H₆O = (Na⁺ • 2C₆H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	82. ± 3.	kJ/mol	CIDT	Amunugama and Rodgers, 2002	RCD

( • Phenol ) + Phenol = ( • 2 Phenol )

By formula: (Cs⁺ • C₆H₆O) + C₆H₆O = (Cs⁺ • 2C₆H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	61. ± 3.	kJ/mol	CIDT	Amunugama and Rodgers, 2002	RCD

( • Phenol ) + Phenol = ( • 2 Phenol )

By formula: (Rb⁺ • C₆H₆O) + C₆H₆O = (Rb⁺ • 2C₆H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	64. ± 3.	kJ/mol	CIDT	Amunugama and Rodgers, 2002	RCD

( • Phenol ) + Phenol = ( • 2 Phenol )

By formula: (K⁺ • C₆H₆O) + C₆H₆O = (K⁺ • 2C₆H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	68. ± 3.	kJ/mol	CIDT	Amunugama and Rodgers, 2002	RCD

Phenol (cr) + C₁₀H₁₁ClZr (cr) = C₁₆H₁₅ClOZr (cr) + (g)

By formula: C₆H₆O (cr) + C₁₀H₁₁ClZr (cr) = C₁₆H₁₅ClOZr (cr) + H₂ (g)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-77.7 ± 4.2	kJ/mol	RSC	Diogo, Simoni, et al., 1993	MS

Phenol + = 2

By formula: C₆H₆O + C₁₄H₂₂O = 2C₁₀H₁₄O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-12.8 ± 0.54	kJ/mol	Eqk	Pil'shchikov, Nesterova, et al., 1981	liquid phase; ALS

Phenol + = +

By formula: C₆H₆O + C₁₄H₂₂O = C₁₀H₁₄O + C₁₀H₁₄O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	0.0	kJ/mol	Eqk	Pil'shchikov, Nesterova, et al., 1981	liquid phase; ALS

C₆H₅NaO (cr) + (l) = Phenol (cr) + (cr)

By formula: C₆H₅NaO (cr) + H₂O (l) = C₆H₆O (cr) + HNaO (cr)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	21.4 ± 3.6	kJ/mol	RSC	Leal, Pires de Matos, et al., 1991	MS

+ Phenol = ( • Phenol )

By formula: Li⁺ + C₆H₆O = (Li⁺ • C₆H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	178. ± 17.	kJ/mol	CIDT	Amunugama and Rodgers, 2002	RCD

+ Phenol = ( • Phenol )

By formula: Cs⁺ + C₆H₆O = (Cs⁺ • C₆H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	66. ± 3.	kJ/mol	CIDT	Amunugama and Rodgers, 2002	RCD

+ Phenol = ( • Phenol )

By formula: Rb⁺ + C₆H₆O = (Rb⁺ • C₆H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	69. ± 3.	kJ/mol	CIDT	Amunugama and Rodgers, 2002	RCD

+ Phenol = ( • Phenol )

By formula: K⁺ + C₆H₆O = (K⁺ • C₆H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	74. ± 3.	kJ/mol	CIDT	Amunugama and Rodgers, 2002	RCD

= + Phenol

By formula: C₁₀H₁₄O = C₄H₈ + C₆H₆O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	77.8	kJ/mol	Cm	Kukui, Potolovskii, et al., 1973	liquid phase; ALS

= + Phenol

By formula: C₁₀H₁₄O = C₄H₈ + C₆H₆O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	82.8	kJ/mol	Cm	Kukui, Potolovskii, et al., 1973	liquid phase; ALS

= Phenol +

By formula: C₁₀H₁₄O = C₆H₆O + C₄H₈

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	71.0 ± 2.1	kJ/mol	Eqk	Verevkin, 1982	gas phase; ALS

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
3000.		X	N/A
0.078		X	Howe, Mullins, et al., 1987	Value given here as quoted by missing citation.
190.	3600.	X	N/A
3000.		X	N/A	Value given here as quoted by missing citation.
1900.	7300.	X	N/A
2900.	6800.	M	N/A	It is assumed here that the thermodynamic data in missing citation refers to the units [mol/dm³] and [atm] as standard states.
490.		R	N/A

Gas phase ion energetics data

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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
LL - Sharon G. Lias and Joel F. Liebman
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 C₆H₆O⁺ (ion structure unspecified)

Quantity	Value	Units	Method	Reference	Comment
IE (evaluated)	8.49 ± 0.02	eV	N/A	N/A	L
Quantity	Value	Units	Method	Reference	Comment
Proton affinity (review)	817.3	kJ/mol	N/A	Hunter and Lias, 1998	HL
Quantity	Value	Units	Method	Reference	Comment
Gas basicity	786.3	kJ/mol	N/A	Hunter and Lias, 1998	HL

Ionization energy determinations

IE (eV)	Method	Reference	Comment
8.508 ± 0.001	PI	Lipert and Colson, 1990	LL
8.506 ± 0.001	PI	Fuke, Yoshiuchi, et al., 1984	LBLHLM
8.49	PE	Fuke, Yoshiuchi, et al., 1984	LBLHLM
8. ± 0.	PIPECO	Fraser-Monteiro, Fraser-Monteiro, et al., 1984	LBLHLM
~8.21	PE	Klasinc, Kovac, et al., 1983	LBLHLM
8.55	PE	Behan, Johnstone, et al., 1976	LLK
8.47 ± 0.02	PE	Maier and Turner, 1973	LLK
9.1 ± 0.1	EI	Henion and Kingston, 1973	LLK
8.37	PE	Debies and Rabalais, 1973	LLK
8.50	EI	Cooks, Bertrand, et al., 1973	LLK
8.69	EI	Johnstone, Mellon, et al., 1971	LLK
8.48 ± 0.05	PE	Eland, 1969	RDSH
8.52	PE	Dewar and Worley, 1969	RDSH
8.50 ± 0.01	PI	Watanabe, 1957	RDSH
8.52 ± 0.02	PI	Vilesov and Terenin, 1957	RDSH
8.75	PE	Ballard, Jones, et al., 1987	Vertical value; LBLHLM
8.61	PE	Klasinc, Kovac, et al., 1983	Vertical value; LBLHLM
8.70	PE	Kimura, Katsumata, et al., 1981	Vertical value; LLK
8.56	PE	Palmer, Moyes, et al., 1979	Vertical value; LLK
8.69	PE	Kobayashi, 1978	Vertical value; LLK
8.73	PE	Kobayashi and Nagakura, 1974	Vertical value; LLK
8.67	PE	Dewar, Ernstbrunner, et al., 1974	Vertical value; LLK
8.56	PE	Debies and Rabalais, 1973	Vertical value; LLK

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
C₅H₅⁺	12.96 ± 0.10	CO+H	DER	Fraser-Monteiro, Fraser-Monteiro, et al., 1984	LBLHLM
C₅H₅⁺	14.2 ± 0.2	CO+H	EI	Tajima and Tsuchiya, 1973	LLK
C₅H₅⁺	14.25	CO+H	EI	Occolowitz and White, 1968	RDSH
C₅H₆⁺	11.4 ± 0.1	CO	TRPI	Lifshitz and Malinovich, 1984	LBLHLM
C₅H₆⁺	12.5 ± 0.1	CO	EI	Henion and Kingston, 1973	LLK
C₅H₆⁺	11.67	CO	EI	Howe and Williams, 1969	RDSH
C₅H₆⁺[c-C₅H₆]	11.59 ± 0.10	CO	PIPECO	Fraser-Monteiro, Fraser-Monteiro, et al., 1984	T = 0K; LBLHLM

De-protonation reactions

+ = Phenol

By formula: C₆H₅O^- + H⁺ = C₆H₆O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1462. ± 10.	kJ/mol	AVG	N/A	Average of 6 out of 7 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1432. ± 8.4	kJ/mol	IMRE	Bartmess, Scott, et al., 1979	gas phase; Shiner, Vorner, et al., 1986: tautomer acidities ΔHacid(ortho) = 343.9±3.1 kcal, para = 340.1±2 kcal. However, Capponi, Gut, et al., 1999 based on aq. soln. results, imply 18 and 14 kcal/mol difference.; value altered from reference due to change in acidity scale; B
Δ_rG°	1426. ± 7.9	kJ/mol	CIDC	Angel and Ervin, 2004	gas phase; B
Δ_rG°	1437. ± 8.4	kJ/mol	IMRE	Cumming and Kebarle, 1978	gas phase; B
Δ_rG°	>1429. ± 7.5	kJ/mol	H-TS	Richardson, Stephenson, et al., 1975	gas phase; B

Ion clustering data

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

+ Phenol = ( • Phenol )

By formula: Br^- + C₆H₆O = (Br^- • C₆H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	87.0 ± 7.5	kJ/mol	IMRE	Paul and Kebarle, 1990	gas phase; ΔGaff at 423 K; B,M
Δ_rH°	82.0	kJ/mol	PHPMS	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	84.	J/mol*K	N/A	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M
Δ_rS°	96.	J/mol*K	N/A	Paul and Kebarle, 1990	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	46.4 ± 4.2	kJ/mol	IMRE	Paul and Kebarle, 1990	gas phase; ΔGaff at 423 K; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
46.4	423.	PHPMS	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M
46.4	423.	PHPMS	Paul and Kebarle, 1990	gas phase; Entropy change calculated or estimated; M

+ Phenol = ( • Phenol )

By formula: C₂H₃O₂^- + C₆H₆O = (C₂H₃O₂^- • C₆H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	109. ± 4.2	kJ/mol	N/A	Meot-Ner and Sieck, 1986	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	100.	J/mol*K	PHPMS	Meot-Ner and Sieck, 1986	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	79.1 ± 6.7	kJ/mol	TDAs	Meot-Ner and Sieck, 1986	gas phase; B

+ Phenol = ( • Phenol )

By formula: Cl^- + C₆H₆O = (Cl^- • C₆H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	109. ± 8.4	kJ/mol	TDAs	French, Ikuta, et al., 1982	gas phase; B,M
Δ_rH°	109. ± 8.4	kJ/mol	TDEq	Cummings, French, et al., 1977	gas phase; Re-anchored to data in French, Ikuta, et al., 1982.; B
Δ_rH°	115.	kJ/mol	PHPMS	Kebarle, 1977	gas phase; M
Δ_rH°	111.	kJ/mol	PHPMS	Paul and Kebarle, 1990	gas phase; Entropy change calculated or estimated; M
Δ_rH°	81.2 ± 8.4	kJ/mol	TDAs	Yamdagni and Kebarle, 1971	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	109.	J/mol*K	PHPMS	French, Ikuta, et al., 1982	gas phase; M
Δ_rS°	100.	J/mol*K	PHPMS	Kebarle, 1977	gas phase; M
Δ_rS°	100.	J/mol*K	N/A	Paul and Kebarle, 1990	gas phase; Entropy change calculated or estimated; M
Δ_rS°	64.9	J/mol*K	PHPMS	Yamdagni and Kebarle, 1971	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	80.3 ± 8.4	kJ/mol	TDAs	French, Ikuta, et al., 1982	gas phase; B
Δ_rG°	77.4 ± 8.4	kJ/mol	TDEq	Cummings, French, et al., 1977	gas phase; Re-anchored to data in French, Ikuta, et al., 1982.; B
Δ_rG°	61.9 ± 8.4	kJ/mol	TDAs	Yamdagni and Kebarle, 1971	gas phase; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
66.5	423.	PHPMS	Paul and Kebarle, 1990	gas phase; Entropy change calculated or estimated; M

+ Phenol = ( • Phenol )

By formula: Cs⁺ + C₆H₆O = (Cs⁺ • C₆H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	66. ± 3.	kJ/mol	CIDT	Amunugama and Rodgers, 2002	RCD

( • Phenol ) + Phenol = ( • 2 Phenol )

By formula: (Cs⁺ • C₆H₆O) + C₆H₆O = (Cs⁺ • 2C₆H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	61. ± 3.	kJ/mol	CIDT	Amunugama and Rodgers, 2002	RCD

+ Phenol = ( • Phenol )

By formula: F^- + C₆H₆O = (F^- • C₆H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	173. ± 8.4	kJ/mol	IMRE	Larson and McMahon, 1983	gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	110.	J/mol*K	N/A	Larson and McMahon, 1983	gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	140. ± 8.4	kJ/mol	IMRE	Larson and McMahon, 1983	gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B,M

+ Phenol = ( • Phenol )

By formula: I^- + C₆H₆O = (I^- • C₆H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	72.4 ± 7.5	kJ/mol	IMRE	Paul and Kebarle, 1990	gas phase; ΔGaff at 423 K; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	88.	J/mol*K	N/A	Paul and Kebarle, 1990	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	35. ± 4.2	kJ/mol	IMRE	Paul and Kebarle, 1990	gas phase; ΔGaff at 423 K; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
35.	423.	PHPMS	Paul and Kebarle, 1990	gas phase; Entropy change calculated or estimated; M

+ Phenol = ( • Phenol )

By formula: K⁺ + C₆H₆O = (K⁺ • C₆H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	74. ± 3.	kJ/mol	CIDT	Amunugama and Rodgers, 2002	RCD

( • Phenol ) + Phenol = ( • 2 Phenol )

By formula: (K⁺ • C₆H₆O) + C₆H₆O = (K⁺ • 2C₆H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	68. ± 3.	kJ/mol	CIDT	Amunugama and Rodgers, 2002	RCD

+ Phenol = ( • Phenol )

By formula: Li⁺ + C₆H₆O = (Li⁺ • C₆H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	178. ± 17.	kJ/mol	CIDT	Amunugama and Rodgers, 2002	RCD

( • Phenol ) + Phenol = ( • 2 Phenol )

By formula: (Li⁺ • C₆H₆O) + C₆H₆O = (Li⁺ • 2C₆H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	115. ± 3.	kJ/mol	CIDT	Amunugama and Rodgers, 2002	RCD

+ Phenol = ( • Phenol )

By formula: Na⁺ + C₆H₆O = (Na⁺ • C₆H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	102. ± 3.	kJ/mol	CIDT	Amunugama and Rodgers, 2002	RCD
Δ_rH°	98. ± 3.	kJ/mol	CIDT	Armentrout and Rodgers, 2000	RCD

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
69.9	298.	IMRE	McMahon and Ohanessian, 2000	Anchor alanine=39.89; RCD

( • Phenol ) + Phenol = ( • 2 Phenol )

By formula: (Na⁺ • C₆H₆O) + C₆H₆O = (Na⁺ • 2C₆H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	82. ± 3.	kJ/mol	CIDT	Amunugama and Rodgers, 2002	RCD

+ Phenol = ( • Phenol )

By formula: Rb⁺ + C₆H₆O = (Rb⁺ • C₆H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	69. ± 3.	kJ/mol	CIDT	Amunugama and Rodgers, 2002	RCD

( • Phenol ) + Phenol = ( • 2 Phenol )

By formula: (Rb⁺ • C₆H₆O) + C₆H₆O = (Rb⁺ • 2C₆H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	64. ± 3.	kJ/mol	CIDT	Amunugama and Rodgers, 2002	RCD

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

SOLUTION (10% IN CCl4 FOR 3800-1300, 10% IN CS2 FOR 1300-650, 10% IN CCl4 FOR 650-250 CM^-1) VERSUS SOLVENT; PERKIN-ELMER 521 (GRATING); DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm^-1 resolution

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

Mass spectrum (electron ionization)

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

Spectrum

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Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

Due to licensing restrictions, this spectrum cannot be downloaded.

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	NIST Mass Spectrometry Data Center, 1994
NIST MS number	133909

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.

UV/Visible spectrum

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Data compiled by: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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Additional Data

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Source	Martynoff, 1949
Owner	INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.
Origin	INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference	RAS UV No. 5027
Instrument	n.i.g.
Melting point	40.9
Boiling point	181.8

Gas Chromatography

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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	SE-30	100.	950.	Berezkin, Popova, et al., 1997	30. m/0.25 mm/0.5 μm, He
Capillary	OV-1	150.	950.	Zhang, Chen, et al., 1997	25. m/0.2 mm/0.33 μm, N2
Capillary	OV-1	150.	950.	Zhang, Chen, et al., 1997	25. m/0.2 mm/0.33 μm, N2
Capillary	OV-1	150.	950.	Zhang, Chen, et al., 1997	25. m/0.2 mm/0.33 μm, N2
Capillary	OV-1	160.	974.	Zhang, Chen, et al., 1997	25. m/0.2 mm/0.33 μm, N2
Packed	OV-101	100.	950.2	Righezza, Hassani, et al., 1996	N2, Chromosorb G HP; Column length: 5. m
Packed	OV-101	110.	950.7	Righezza, Hassani, et al., 1996	N2, Chromosorb G HP; Column length: 5. m
Packed	OV-101	80.	944.7	Righezza, Hassani, et al., 1996	N2, Chromosorb G HP; Column length: 5. m
Packed	OV-101	90.	945.2	Righezza, Hassani, et al., 1996	N2, Chromosorb G HP; Column length: 5. m
Packed	OV-101	120.	952.5	Hassani and Meklati, 1992	N2, Chromosorb G HP; Column length: 5. m
Capillary	HP-1	60.	943.	Zhang, Li, et al., 1992	N2; Column length: 25. m; Column diameter: 0.20 mm
Capillary	HP-1	60.	944.	Zhang, Li, et al., 1992	N2; Column length: 25. m; Column diameter: 0.20 mm
Capillary	HP-1	100.	952.	Zhang, Li, et al., 1992	N2; Column length: 25. m; Column diameter: 0.20 mm
Capillary	HP-1	100.	954.	Zhang, Li, et al., 1992	N2; Column length: 25. m; Column diameter: 0.20 mm
Capillary	SE-30	160.	929.	Evans and Haken, 1989	Column length: 25. m; Column diameter: 0.32 mm
Capillary	SE-30	160.	964.	Evans and Haken, 1989	Column length: 25. m; Column diameter: 0.32 mm
Capillary	PS-255	150.	952.	Engewald, Billing, et al., 1988	50. m/0.30 mm/0.25 μm
Capillary	SE-30	180.	953.	Shakirov, Tsypysheva, et al., 1988	Column length: 20. m; Column diameter: 0.2 mm
Capillary	SE-30	160.	964.	Korhonen and Knuutinen, 1984	N2; Column length: 25. m; Column diameter: 0.3 mm
Capillary	SE-30	180.	924.	Korhonen and Knuutinen, 1984	N2; Column length: 25. m; Column diameter: 0.3 mm
Capillary	SE-30	140.	943.	Korhonen, 1984
Capillary	SE-30	160.	929.	Korhonen, 1984
Capillary	SE-30	180.	932.	Korhonen, 1984
Packed	SE-30	150.	965.	Tiess, 1984	Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m
Packed	SE-30	100.	926.	Winskowski, 1983	Gaschrom Q; Column length: 2. m
Packed	OV-101	130.	951.	Zygmunt, Wardencki, et al., 1983	Ar, Gas-Chrom Q; Column length: 1.5 m
Packed	OV-101	130.	954.	Zygmunt, Wardencki, et al., 1983	Ar, Gas-Chrom Q; Column length: 1.5 m
Packed	Apiezon L	180.	955.	Vernon and Edwards, 1975	N2, Celite; Column length: 1. m
Capillary	Apiezon L	120.	966.	Agr, Tesaric, et al., 1973
Capillary	Squalane	120.	942.	Agr, Tesaric, et al., 1973
Capillary	Squalane	86.	933.	Agr, Tesaric, et al., 1973
Packed	SE-30	204.	950.	Mitchell and Vernon, 1972
Packed	Apiezon L	204.	960.	Mitchell and Vernon, 1972
Packed	SE-52	204.	961.	Mitchell and Vernon, 1972
Packed	SE-30	150.	964.	Tibor and Anna, 1971	N2, Chromosorb W-AW; Column length: 2. m
Packed	SE-30	170.	973.	Tibor and Anna, 1971	N2, Chromosorb W-AW; Column length: 2. m
Packed	Apiezon L	100.	923.	Brown, Chapman, et al., 1968	N2, DCMS-treated Chromosorb W; Column length: 2.3 m
Packed	DC-200	120.	950.	Reymond, Mueggler-Chavan, et al., 1966	Celite; Column length: 4. m
Packed	SE-30	180.	970.	Viani, Müggler-Chavan, et al., 1965	He, 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	SE-30	967.	Medvedovskaya, Tikhomirova, et al., 1997	7. K/min; T_start: 50. C; T_end: 320. C

Kovats' RI, polar column, isothermal

View large format table.

Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	FFAP	160.	2000.	Evans and Haken, 1989	Column length: 25. m; Column diameter: 0.35 mm
Capillary	FFAP	160.	2000.	Korhonen, 1984
Capillary	FFAP	180.	1971.	Korhonen, 1984
Capillary	FFAP	200.	1957.	Korhonen, 1984
Packed	PEG-20M	200.	1947.0	Still and Whitehead, 1977	N2, Chromosorb G; Column length: 3. m
Packed	PEG-20M	200.	1947.0	Still and Whitehead, 1977	N2, Chromosorb G; Column length: 3. m
Packed	PEG-2000	200.	2030.	Anderson, Jurel, et al., 1973	He, Celite 545 (44-60 mesh); Column length: 3. m
Packed	PEG-20M	170.	2037.	Tibor and Anna, 1971	N2, Chromosorb W-AW; Column length: 2. m

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	RTX-5	981.4	Ádámová, Orinák, et al., 2005	30. m/0.25 mm/0.25 μm, N2, 40. C @ 2. min, 5. K/min, 300. C @ 10. min
Capillary	CP-Sil 8CB-MS	992.	Hierro, de la Hoz, et al., 2004	60. m/0.25 mm/0.25 μm, 40. C @ 2. min, 4. K/min, 280. C @ 5. min
Capillary	HP-5MS	981.	Lalel, Singh, et al., 2003	60. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 3. K/min, 310. C @ 20. min
Capillary	DB-1	959.6	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	978.8	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 5 CB	956.	Pino, Marbot, et al., 2002	30. m/0.25 mm/0.25 μm, H2, 60. C @ 10. min, 2. K/min, 280. C @ 40. min
Capillary	DB-1	961.	Kim, 2001	60. m/0.32 mm/1. μm, He, 40. C @ 5. min, 2. K/min; T_end: 220. C
Capillary	SPB-Sulfur	954.1	de Lacy Costello, Evans, et al., 2001	30. m/0.32 mm/4. μm, 40. C @ 12.5 min, 4. K/min; T_end: 200. C
Capillary	SE-54	978.16	Yin, Xiu, et al., 2001	35. C @ 3. min, 4. K/min, 230. C @ 10. min; Column length: 25. m; Column diameter: 0.31 mm
Capillary	SE-54	979.62	Yin, Xiu, et al., 2001	35. C @ 3. min, 4. K/min, 230. C @ 10. min; Column length: 25. m; Column diameter: 0.31 mm
Capillary	CP Sil 8 CB	977.	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	DB-1	955.0	Helmig, Klinger, et al., 1999	60. m/0.32 mm/1. μm, -50. C @ 2. min, 6. K/min; T_end: 175. C
Capillary	SPB-5	977.	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	DB-1	954.	DeMilo, Lee, et al., 1996	30. m/0.248 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min; T_end: 250. C
Capillary	DB-1	959.	DeMilo, Lee, et al., 1996	30. m/0.248 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min; T_end: 250. C
Capillary	OV-1	958.5	Gautzsch and Zinn, 1996	8. K/min; T_start: 35. C; T_end: 300. C
Capillary	DB-1	954.9	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	979.9	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-1	959.	Coen, Engel, et al., 1995	30. m/0.32 mm/0.25 μm, N2, 3. K/min; T_start: 150. C; T_end: 280. C
Capillary	DB-1	957.	Coen, Engel, et al., 1995	30. m/0.32 mm/0.25 μm, N2, 3. K/min; T_start: 150. C; T_end: 280. C
Capillary	DB-1	975.	Gerbino and Castello, 1995	30. m/0.235 mm/0.25 μm, N2, 50. C @ 0. min, 10. K/min
Capillary	DB-1	978.	Gerbino and Castello, 1995	30. m/0.235 mm/0.25 μm, N2, 50. C @ 0. min, 5. K/min
Capillary	SPB-1	959.	Lee, DeMilo, et al., 1995	30. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min; T_end: 250. C
Capillary	OV-101	947.6	Ferchichi and Messadi, 1994	4. K/min; Column length: 25. m; Column diameter: 0.2 mm; T_start: 30. C; T_end: 250. C
Capillary	OV-101	965.4	Ferchichi and Messadi, 1994	4. K/min; Column length: 25. m; Column diameter: 0.2 mm; T_start: 30. C; T_end: 250. C
Capillary	DB-1	952.	Kaiser and Siegl, 1994	60. m/0.32 mm/1. μm, -50. C @ 4. min, 6. K/min; T_end: 180. C
Capillary	DB-1	969.	Wu, Kuo, et al., 1991	50. m/0.32 mm/1.05 μm, He, 2. K/min, 260. C @ 40. min; T_start: 40. C
Capillary	SE-54	980.8	Shapi and Hesso, 1990	25. m/0.32 mm/0.15 μm, He, 40. C @ 1. min, 5. K/min, 280. C @ 15. min
Capillary	SE-54	980.8	Shapi and Hesso, 1990	25. m/0.32 mm/0.15 μm, He, 40. C @ 1. min, 5. K/min, 280. C @ 15. min
Capillary	HP-1	983.	Tang, Zhang, et al., 1990	50. m/0.32 mm/1.05 μm, He, 2. K/min, 230. C @ 40. min; T_start: 40. C
Capillary	RSL-150	962.	Sagrero-Nieves, de Pooter, et al., 1989	30. m/0.53 mm/1.2 μm, He, 3. K/min; T_start: 30. C; T_end: 220. C
Capillary	BP-1	966.	Tan, Wilkins, et al., 1989	H2, 40. C @ 2. min, 4. K/min, 240. C @ 75. min; Column length: 12. m
Packed	SE-30	962.	Peng, Ding, et al., 1988	He, Supelcoport and Chromosorb, 40. C @ 4. min, 10. K/min, 250. C @ 60. min; Column length: 3.05 m
Capillary	DB-5	998.	Rostad and Pereira, 1986	30. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min
Packed	SE-30	962.	Buchman, Cao, et al., 1984	He, Chromosorb AW, 40. C @ 10. min, 10. K/min, 210. C @ 30. min; Column length: 3.05 m
Capillary	SE-30	942.	Korhonen and Knuutinen, 1984	N2, 10. K/min; Column length: 25. m; Column diameter: 0.3 mm; T_start: 100. C
Capillary	SE-30	933.	Korhonen and Knuutinen, 1984	N2, 14. K/min; Column length: 25. m; Column diameter: 0.3 mm; T_start: 100. C
Capillary	SE-30	933.	Korhonen and Knuutinen, 1984	N2, 6. K/min; Column length: 25. m; Column diameter: 0.3 mm; T_start: 100. C
Capillary	SE-30	945.	Korhonen, 1984	10. K/min; T_start: 100. C
Capillary	SE-30	944.	Korhonen, 1984	2. K/min; T_start: 100. C
Capillary	SE-30	946.	Korhonen, 1984	6. K/min; T_start: 100. 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	DB-5MS	992.	Varlet, Serot, et al., 2007	30. m/0.32 mm/0.5 μm, He; Program: 70C => 5C/min => 85C(1min) => 3C/min => 165C => 10C/min => 280C(3min)
Capillary	VF-5MS	1004.1	Mjøs, Meier, et al., 2006	50. m/0.25 mm/0.25 μm, He; Program: 60C(2min) => 30C/min => 100C => 1C/min =>
Capillary	VF-5MS	995.5	Mjøs, Meier, et al., 2006	50. m/0.25 mm/0.25 μm, He; Program: 60C(2min) => 30C/min => 100C => 2C/min =>
Capillary	VF-5MS	986.8	Mjøs, Meier, et al., 2006	50. m/0.25 mm/0.25 μm, He; Program: 60C(2min) => 30C/min => 100C => 4C/min =>
Capillary	DB-5MS	992.	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-5MS	992.	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	955.	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	DB-1	953.	Whetstine, Parker, et al., 2003	3. m/0.32 mm/0.3 μm, He; Program: -20C(6min) => 8C/min =60C => 6C/min => 220C(5min)
Capillary	5 % Phenyl methyl siloxane	980.	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	962.	Peng, Yang, et al., 1991	Program: not specified

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-FFAP	2008.	Jarunrattanasri, Theerakulkait, et al., 2007	30. m/0.25 mm/0.5 μm, He, 35. C @ 5. min, 4. K/min, 225. C @ 30. min
Capillary	DB-Wax	2008.	Pozo-Bayon M.A., Ruiz-Rodriguez A., et al., 2007	30. m/0.25 mm/0.5 μm, He, 40. C @ 5. min, 4. K/min, 250. C @ 15. min
Capillary	DB-Wax	1992.	Osorio, Alarcon, et al., 2006	30. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 220. C @ 20. min
Capillary	Supelcowax-10	1962.	Chung, Fung, et al., 2005	60. m/0.25 mm/0.25 μm, 35. C @ 5. min, 6. K/min, 195. C @ 60. min
Capillary	Stabilwax	2019.	Cros, Lignot, et al., 2005	60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min, 240. C @ 10. min
Capillary	Innowax	2028.	Lee, Lee, et al., 2005	50. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 2. K/min, 220. C @ 20. min
Capillary	OV-351	1956.	Bonvehi and Coll, 2003	50. m/0.32 mm/0.2 μm, He, 5. K/min; T_start: 60. C; T_end: 220. C
Capillary	DB-Wax	1987.	Chyau, Ko, et al., 2003	60. m/0.25 mm/0.25 μm, He, 2. K/min, 210. C @ 40. min; T_start: 40. C
Capillary	Stabilwax	2019.	Cros, Vandanjon, et al., 2003	60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min, 240. C @ 10. min
Capillary	Supelcowax-10	2014.	Chung, Yung, et al., 2002	60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min
Capillary	HP-Innowax	2032.	Adamiec, Rossner, et al., 2001	30. m/0.25 mm/0.25 μm, N2, 5. K/min; T_start: 60. C; T_end: 220. C
Capillary	HP-Innowax	2032.	Adamiec, Rossner, et al., 2001	30. m/0.25 mm/0.25 μm, N2, 5. K/min; T_start: 60. C; T_end: 220. C
Capillary	Supelcowax-10	2014.	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	DB-Wax	2004.	Kim, 2001	60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 200. C @ 30. min
Capillary	DB-Wax	2006.	Shimoda, Yoshimura, et al., 2001	60. m/0.25 mm/0.25 μm, He, 2. K/min, 230. C @ 60. min; T_start: 50. C
Capillary	DB-Wax	1987.	Wirth, Guo, et al., 2001	30. m/0.32 mm/0.5 μm, He, 60. C @ 3. min, 3. K/min, 245. C @ 20. min
Capillary	DB-Wax	2000.	Bureau, Baumes, et al., 2000	30. m/0.32 mm/0.5 μm, He, 60. C @ 3. min, 3. K/min, 245. C @ 20. min
Capillary	Supelcowax-10	2015.	Chung, 2000	60. m/0.25 mm/0.25 μm, He, 2. K/min, 195. C @ 90. min; T_start: 35. C
Capillary	CP-Wax 52CB	2000.	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	2000.	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	CP-Wax 52CB	2000.	Chevance and Farmer, 1999, 2	40. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm
Capillary	Supelcowax-10	2015.	Chung, 1999	60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min
Capillary	Supelcowax-10	2015.	Chung, 1999, 2	60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min
Capillary	DB-Wax	1956.	Ollé, Baumes, et al., 1998	30. m/0.32 mm/0.5 μm, 40. C @ 3. min, 3. K/min, 245. C @ 20. min
Capillary	DB-Wax	2010.	Coen, Engel, et al., 1995	30. m/0.32 mm/0.5 μm, He, 2. K/min; T_start: 50. C; T_end: 230. C
Capillary	DB-Wax	2023.76	Gerbino and Castello, 1995	30. m/0.235 mm/0.5 μm, N2, 10. K/min; T_start: 100. C
Capillary	DB-Wax	2018.23	Gerbino and Castello, 1995	30. m/0.235 mm/0.5 μm, N2, 5. K/min; T_start: 100. C
Capillary	DB-Wax	2024.04	Gerbino and Castello, 1995	30. m/0.235 mm/0.5 μm, N2, 10. K/min; T_start: 50. C
Capillary	DB-Wax	2015.92	Gerbino and Castello, 1995	30. m/0.235 mm/0.5 μm, N2, 5. K/min; T_start: 50. C
Capillary	DB-Wax	2004.	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	2015.	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	2008.	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	1996.	Umano, Hagi, et al., 1992	He, 40. C @ 10. min, 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; T_end: 200. C
Capillary	DB-Wax	1965.	Humpf and Schreier, 1991	30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min, 220. C @ 20. min
Capillary	DB-Wax	1978.	Krammer, Winterhalter, et al., 1991	30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; T_end: 240. C
Capillary	CP-Wax 58CB	1977.	Pabst, Barron, et al., 1991	30. m/0.25 mm/0.22 μm, He, 3. K/min; T_start: 40. C; T_end: 220. C
Capillary	DB-Wax	1965.	Suárez, Duque, et al., 1991	30. m/0.259 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; T_end: 240. C
Capillary	DB-Wax	1973.	Suárez, Duque, et al., 1991	30. m/0.259 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; T_end: 240. C
Capillary	DB-Wax	1965.	Suárez, Duque, et al., 1991	30. m/0.259 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; T_end: 240. C
Capillary	DB-Wax	1973.	Suárez, Duque, et al., 1991	30. m/0.259 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; T_end: 240. C
Capillary	DB-Wax	1973.	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	Carbowax 20M	1975.	Schwab, Mahr, et al., 1989	30. m/0.25 mm/0.25 μm, He, 40. C @ 3. min, 4. K/min; T_end: 240. C
Capillary	Supelcowax-10	2012.	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	2014.	Tanchotikul and Hsieh, 1989	60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min, 175. C @ 20. min
Capillary	CP-WAX 57CB	1997.	Baltes and Mevissen, 1988	He, 50. C @ 5. min, 2. K/min; Column length: 50. m; Column diameter: 0.24 mm; T_end: 210. C
Capillary	PEG-20M	1984.5	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	1983.4	Wang and Sun, 1987	25. m/0.26 mm/0.3 μm, 2. K/min; T_start: 60. C; T_end: 200. C
Packed	Carbowax 20M	1967.	Buchman, Cao, et al., 1984	He, Supelcoport, 40. C @ 10. min, 10. K/min, 210. C @ 30. min; Column length: 3.05 m
Capillary	FFAP	1962.	Korhonen, 1984	10. K/min; T_start: 100. C
Capillary	FFAP	1950.	Korhonen, 1984	2. K/min; T_start: 100. C

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Stabilwax	2026.	Natali N., Chinnici F., et al., 2006	30. m/0.25 mm/0.25 μm, He; Program: 40C => 3C/min => 100C => 5C/min => 240C(10min)
Capillary	CP-Wax 52CB	2015.	Verzera, Ziino, et al., 2004	60. m/0.25 mm/0.25 μm, He; Program: 45C(5min) => 10C/min => 80C => 2C/min => 240C
Capillary	DB-Wax	1996.	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	1996.	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
Capillary	DB-Wax	1984.	Cantergiani, Brevard, et al., 2001	30. m/0.25 mm/0.25 μm; Program: 20C(30s) => fast => 60C => 4C/min => 220C (20min)
Capillary	Supelcowax-10	2003.	Baek and Cadwallader, 1996	60. m/0.25 mm/0.25 μm; Program: 40C => (6C/min) => 80C(6min) => (15C/min) => 200C(10min)
Capillary	FFAP	2028.	Yasuhara, 1987	50. m/0.25 mm/0.25 μm, He; Program: 20C (5min) => 2C/min => 70C => 4C/min => 210C
Capillary	Carbowax 20M	1990.	Whitfield, Shea, et al., 1981	Column length: 150. m; Column diameter: 0.75 mm; Program: not specified

Normal alkane RI, non-polar column, isothermal

View large format table.

Column type	Active phase	Temperature (C)	I	Reference	Comment
Packed	Apieson L	140.	956.	Hedin, Minyard, et al., 1967	Nitrogen, Chromosorb W HMDS (60-80 mesh); Column length: 1.8 m

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	HP-5 MS	989.	Wanakhachornkrai and Lertsiri, 9999	30. m/0.25 mm/0.25 μm, Helium, 15. K/min; T_start: 45. C; T_end: 280. C
Capillary	Optima-5 MS	983.	Goeminne, Vandendriessche, et al., 2012	30. m/0.25 mm/0.25 μm, Helium, 35. C @ 3. min, 10. K/min, 250. C @ 5. min
Capillary	TR-1	962.	Gruzdev, Kuzivanov, et al., 2012	30. m/0.32 mm/0.25 μm, Helium, 5. K/min; T_start: 50. C; T_end: 300. C
Capillary	TR-1	962.	Gruzdev, Kuzivanov, et al., 2012, 2	30. m/0.32 mm/0.25 μm, Helium, 5. K/min; T_start: 50. C; T_end: 300. C
Capillary	HP-5 MS	994.	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	HP-5 MS	984.	Nawrath, Mgode, et al., 2012	30. m/0.25 mm/0.25 μm, Helium, 50. C @ 5. min, 5. K/min; T_end: 320. C
Capillary	VF-5 MS	987.	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	989.	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	HP-5	981.	Piyachaiseth, Jirapakkul, et al., 2011	60. m/0.25 mm/0.25 μm, Helium, 35. C @ 1. min, 10. K/min, 220. C @ 15. min
Capillary	DB-5 MS	994.	Majcher, Lawrowski, et al., 2010	25. m/0.20 mm/0.33 μm, Helium, 40. C @ 1. min, 10. K/min; T_end: 250. C
Capillary	HP-5 MS	978.	Radulovic, Blagojevic, et al., 2010	30. m/0.25 mm/0.25 μm, Helium, 5. K/min, 290. C @ 10. min; T_start: 70. C
Capillary	HP-5 MS	972.	Radulovic, Dordevic, et al., 2010	30. m/0.25 mm/0.25 μm, Helium, 5. K/min, 290. C @ 10. min; T_start: 70. C
Capillary	ZB-5	986.	Harrison and Priest, 2009	30. m/0.25 mm/0.25 μm, Helium, 40. C @ 1. min, 6. K/min, 280. C @ 9. min
Capillary	RTX-5	979.	Pham, Schilling, et al., 2008	30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 20. K/min; T_end: 250. C
Capillary	HP-5 MS	968.	Bozi, Czagany, et al., 2007	30. m/0.25 mm/0.25 μm, Helium, 50. C @ 1. min, 10. K/min, 300. C @ 4. min
Capillary	Elite-5MS	978.	Tava, Pecetti, et al., 2007	30. m/0.32 mm/0.5 μm, He, 40. C @ 5. min, 4. K/min, 280. C @ 10. min
Capillary	SPB-5	983.	Vasta, Ratel, et al., 2007	60. m/0.32 mm/1. μm, 40. C @ 5. min, 3. K/min, 230. C @ 5. min
Capillary	DB-5	980.	Xu, Fan, et al., 2007	30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min, 250. C @ 5. min
Capillary	HP-1	951.	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	954.	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	DB-5	980.	Fan and Qian, 2006	30. m/0.32 mm/1. μm, N2, 40. C @ 2. min, 6. K/min, 230. C @ 15. min
Capillary	DB-1	957.	Lee, Lee, et al., 2005, 2	60. m/0.32 mm/0.25 μm, He, 35. C @ 4. min, 2. K/min, 230. C @ 25. min
Capillary	DB-1	963.	Lee, Lee, et al., 2005, 2	60. m/0.32 mm/0.25 μm, He, 35. C @ 4. min, 2. K/min, 230. C @ 25. min
Capillary	MDN-5	980.	van Loon, Linssen, et al., 2005	60. m/0.25 mm/0.25 μm, He, 40. C @ 4. min, 4. K/min, 270. C @ 5. min
Capillary	DB-1	957.	Park, Lee, et al., 2004	60. m/0.32 mm/0.25 μm, He, 35. C @ 4. min, 2. K/min, 230. C @ 25. min
Capillary	DB-1	961.	Park, Lee, et al., 2004	60. m/0.32 mm/0.25 μm, He, 35. C @ 4. min, 2. K/min, 230. C @ 25. min
Capillary	DB-1	963.	Park, Lee, et al., 2004	60. m/0.32 mm/0.25 μm, He, 35. C @ 4. min, 2. K/min, 230. C @ 25. min
Capillary	DB-1	964.	Park, Lee, et al., 2004	60. m/0.32 mm/0.25 μm, He, 35. C @ 4. min, 2. K/min, 230. C @ 25. min
Capillary	HP-5	992.	Zenkevich, Moeder, et al., 2004	30. m/0.25 mm/0.25 μm, Helium, 50. C @ 3. min, 3. K/min, 280. C @ 20. min
Capillary	SPB-5	974.	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	HP-5	989.	Wanakhachornkrai and Lertsiri, 2003	30. m/0.25 mm/0.25 μm, He, 45. C @ 2. min, 15. K/min, 280. C @ 11.4 min
Capillary	BP-1	961.	Hayes R.A., Richardson B.J., et al., 2002	25. m/0.2 mm/0.1 μm, He, 40. C @ 5. min, 8. K/min; T_end: 250. C
Capillary	AT-1	986.	Kelling, 2001	He, 50. C @ 2. min, 10. K/min; T_end: 300. C
Capillary	SPB-5	978.	Poligné, Collignan, et al., 2001	60. m/0.32 mm/1. μm, He, 3. K/min; T_start: 40. C; T_end: 200. C
Capillary	BP-1	951.	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	Ultra-2	977.	Quiroz, Fuentes-Contreras, et al., 1999	40. C @ 4. min, 5. K/min; Column length: 25. m; Column diameter: 0.2 mm; T_end: 300. C
Capillary	BPX-5	986.	D'Arcy, Rintoul, et al., 1997	50. m/0.22 mm/0.25 μm, He, 50. C @ 1. min, 3. K/min, 250. C @ 10. min
Capillary	DB-1	973.	Lu, Yu, et al., 1997	60. m/0.32 mm/1. μm, He, 40. C @ 2. min, 2. K/min, 280. C @ 40. min
Capillary	DB-1	951.	Robacker and Bartelt, 1997	30. m/0.32 mm/0.5 μm, He, 35. C @ 1. min, 10. K/min; T_end: 200. C
Capillary	DB-1	981.	Yu and Ho, 1995	60. m/0.25 mm/1. μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 60. min
Capillary	DB-1	964.	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	DB-1	957.	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	DB5-30W	984.	Schwab and Schreier, 1988	30. m/0.25 mm/0.25 μm, He, 5. K/min; T_start: 60. C; T_end: 300. C
Capillary	SE-54	988.	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-1	954.	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	DB-1	948.	Habu, Flath, et al., 1985	3. K/min; Column length: 50. m; Column diameter: 0.32 mm; T_start: 50. C; T_end: 250. C
Capillary	OV-101	969.	Stern, Flath, et al., 1985	50. C @ 0.1 min, 4. K/min, 225. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm
Capillary	OV-101	953.	Spiteller and Spiteller, 1979	He, 75. C @ 7. min, 2. K/min; Column length: 25. m; T_end: 280. 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	982.	Kotowska, Zalikowski, et al., 2012	30. m/0.25 mm/0.25 μm, Helium; Program: not specified
Capillary	SLB-5 MS	982.	Mondello, 2012	30. m/0.25 mm/0.25 μm, Helium; Program: not specified
Capillary	Polydimethyl siloxane with 5 % Ph groups	979.	Robinson, Adams, et al., 2012	Program: not specified
Capillary	Polydimethyl siloxane with 5 % Ph groups	995.	Robinson, Adams, et al., 2012	Program: not specified
Capillary	RTX-5 MS	987.	Mebazaa, Mahmoudi, et al., 2009	30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (5 min) 2 0C/min -> 100 0C (5 min) 5 0C/min -> 300 0C
Capillary	RTX-5 MS	980.	Mebazaa, Mahmoudi, et al., 2009	30. m/0.25 mm/0.25 μm, Helium; Program: not specified
Capillary	ZB-5	983.	de Simon, Estruelas, et al., 2009	30. m/0.25 mm/0.25 μm, Helium; Program: 45 0C 3 0C/min -> 230 0C (10 min) 10 0C/min -> 270 0C (21 min)
Capillary	Nonpolar	969.	Staples and Zeiger, 2008	Program: not specified
Capillary	Nonpolar	976.	Staples and Zeiger, 2008	Program: not specified
Capillary	Nonpolar	976.	Staples and Zeiger, 2008	Program: not specified
Capillary	Nonpolar	976.	Staples and Zeiger, 2008	Program: not specified
Capillary	Nonpolar	976.	Staples and Zeiger, 2008	Program: not specified
Capillary	Nonpolar	977.	Staples and Zeiger, 2008	Program: not specified
Capillary	HP-5	986.	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	989.	Zhao, Li, et al., 2008	30. m/0.25 mm/0.25 μm; Program: not specified
Capillary	DB-5 MS	974.	Zhu, Li, et al., 2008	30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (2.8 min) 5.5 0C/min -> 140 0C (1 min) 4.5 oC/min -> 220 0C -> 225 0C (2 min) 3.4 0C/min -> 265 0C (5 min)
Capillary	DB-5 MS	976.	Zhu, Li, et al., 2008	30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (2.8 min) 5.5 0C/min -> 140 0C (1 min) 4.5 oC/min -> 220 0C -> 225 0C (2 min) 3.4 0C/min -> 265 0C (5 min)
Capillary	HP-5	984.	Dou, Li, et al., 2007	30. m/0.32 mm/0.25 μm, He; Program: 40 0C (2 min) 110 0C (2 min) 3 0C/min -> 170 0C (2 min) 4 0C/min -> 220 0C (2 min) 10 0C/min -> 260 0C (5 min)
Capillary	OV-101	952.	Ebrahimi and Hadjmohammadi, 2006	Program: not specified
Capillary	RTX-5	980.	Ádámová, Orinák, et al., 2005	30. m/0.25 mm/0.25 μm, N2; Program: not specified
Capillary	RTX-5	980.	Ádámová, Orinák, et al., 2005	30. m/0.25 mm/0.25 μm, N2; Program: not specified
Capillary	SE-30	1002.	Vinogradov, 2004	Program: not specified
Capillary	SPB-5	977.	Begnaud, Pérès, et al., 2003	60. m/0.32 mm/1. μm; Program: not specified
Capillary	CP Sil 5 CB	961.	Counet, Callemien, et al., 2002	50. m/0.32 mm/1.2 μm; Program: 36C => 20C/min => 85C => 1C/min => 145C=3C/min => 250C(30min)
Capillary	DB-5MS	973.	Fu, Yoon, et al., 2002	Program: not specified
Capillary	Methyl phenyl siloxane (not specified)	976.	Poligne, Collignan, et al., 2002	Program: not specified
Capillary	HP-5MS	995.	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	DB-5 MS	984.	Luo and Agnew, 2001	30. m/0.25 mm/1.0 μm, Helium; Program: not specified
Capillary	HP-5	987.	Ansorena, Astiasarán, et al., 2000	30. m/0.25 mm/0.25 μm, He; Program: 40C (10min) => 3C/min => 120C => 10C/min => 250C (5min)
Capillary	CP Sil 5 CB	956.	Guyot, Scheirman, et al., 1999	He; Column length: 50. m; Column diameter: 0.32 mm; Program: 30C => 55C/min => 85C => 1C/min => 145C => 3C/min => 250C
Capillary	CP Sil 5 CB	962.	Guyot, Bouseta, et al., 1998	50. m/0.32 mm/1.2 μm, He; Program: 30C => 55C/min => 85C => 1C/min => 145C => 3C/min => 250C
Capillary	DB-5	985.	Mateo, Aguirrezábal, et al., 1997	50. m/0.32 mm/0.25 μm, He; Program: 40C(10min) => 3C/min => 95C => 10C/min => 270C(10min)
Capillary	DB-5	982.	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	983.	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	962.	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	RSL-150	1002.	Buchbauer, Nikiforov, et al., 1994	60. m/0.32 mm/0.25 μm, He; Program: 30c (1.5min) => 20C/min => 55C => 6C/min => 200C(10min)
Capillary	DB-1	964.	Ciccioli, Cecinato, et al., 1994	60. m/0.32 mm/0.25 μm; Program: not specified
Capillary	DB-1	961.	Hathcock and Bertsch, 1993	100. m/0.25 mm/0.5 μm; Program: not specified
Capillary	SE-54	982.	Um, Bailey, et al., 1992	He; Column length: 50. m; Column diameter: 0.32 mm; Program: 35 0C (5 min) 8 0C/min -> 200 0C 2 0C/min -> 250 0C
Capillary	DB-1	961.	Kawai, Ishida, et al., 1991	60. m/0.25 mm/0.25 μm; Program: not specified
Capillary	DB-1	964.	Kawai, Ishida, et al., 1991	60. m/0.25 mm/0.25 μm; Program: not specified
Capillary	Polydimethyl siloxane, unknown content of Ph-groups	973.	Geldon, 1989	Program: not specified
Capillary	Polydimethyl siloxane, unknown content of Ph-groups	987.	Geldon, 1989	Program: not specified
Capillary	OV-1	959.	Waggott and Davies, 1984	Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
Capillary	OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.	926.	Waggott and Davies, 1984	Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
Other	Methyl Silicone	981.	Ardrey and Moffat, 1981	Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	HP-FFAP	2035.	Wanakhachornkrai and Lertsiri, 9999	25. m/0.32 mm/0.50 μm, Helium, 15. K/min; T_start: 45. C; T_end: 220. C
Capillary	HP-FFAP	2039.	Wanakhachornkrai and Lertsiri, 9999	25. m/0.32 mm/0.50 μm, Helium, 15. K/min; T_start: 45. C; T_end: 220. C
Capillary	HP-FFAP	2039.	Wanakhachornkrai and Lertsiri, 9999	25. m/0.32 mm/0.50 μm, Helium, 15. K/min; T_start: 45. C; T_end: 220. C
Capillary	HP-Innowax	2012.	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	AT-Wax	2007.	Kiss, Csoka, et al., 2011	60. m/0.25 mm/0.25 μm, Helium, 4. K/min; T_start: 60. C; T_end: 280. C
Capillary	FFAP	1995.	Piyachaiseth, Jirapakkul, et al., 2011	60. m/0.25 mm/0.25 μm, Helium, 45. C @ 1. min, 5. K/min, 220. C @ 5. min
Capillary	CP-Wax	1989.	Mo, Fan, et al., 2009	60. m/0.25 mm/0.25 μm, Helium, 50. C @ 2. min, 6. K/min, 230. C @ 15. min
Capillary	DB-Wax	2030.	Moon and Shibamoto, 2009	60. m/0.25 mm/0.50 μm, Helium, 40. C @ 5. min, 2. K/min, 210. C @ 70. min
Capillary	DB-Wax	2008.	Zhao, Xu, et al., 2009	30. m/0.25 mm/0.25 μm, Helium, 40. C @ 2. min, 3. K/min, 230. C @ 5. min
Capillary	Innowax	2020.	Kaypak and Avsar, 2008	30. m/0.25 mm/0.25 μm, 40. C @ 5. min, 10. K/min, 200. C @ 15. min
Capillary	HP-Innowax	2011.	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	Supelcowax-10	1994.	Vichi, Romero, et al., 2008	30. m/0.25 mm/0.25 μm, Helium, 50. C @ 10. min, 8. K/min; T_end: 240. C
Capillary	Stabilwax	2019.	Cros, Vandanjon, et al., 2007	60. m/0.25 mm/0.25 μm, Helium, 40. C @ 5. min, 3. K/min, 240. C @ 10. min
Capillary	RTX-Wax	1993.	Prososki, Etzel, et al., 2007	30. m/0.25 mm/0.5 μm, He, 40. C @ 5. min, 10. K/min, 220. C @ 10. min
Capillary	DB-Wax	2007.	Xu, Fan, et al., 2007	30. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min, 230. C @ 5. min
Capillary	DB-Wax	2007.	Fan and Qian, 2006, 2	30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min, 230. C @ 15. min
Capillary	DB-Wax	2007.	Fan and Qian, 2006, 2	30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min, 230. C @ 15. min
Capillary	DB-Wax	2015.	Fan and Qian, 2006	30. m/0.32 mm/0.25 μm, N2, 40. C @ 2. min, 6. K/min, 230. C @ 15. min
Capillary	DB-Wax Etr	2023.	Perestrelo, Fernandes, et al., 2006	30. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 2. K/min, 220. C @ 10. min
Capillary	ZB-Wax	2035.	Wierda R.L., Fletcher G., et al., 2006	60. m/0.32 mm/0.5 μm, He, 40. C @ 2. min, 3. K/min, 250. C @ 10. min
Capillary	Carbowax 20M	2017.	de la Fuente, Martinez-Castro, et al., 2005	50. m/0.25 mm/0.25 μm, Helium, 40. C @ 2. min, 4. K/min, 190. C @ 30. min
Capillary	TC-FFAP	2015.	Kurose and Yatagai, 2005	60. m/0.25 mm/0.4 μm, He, 3. K/min, 220. C @ 30. min; T_start: 60. C
Capillary	DB-Wax	2039.	Qian and Wang, 2005	60. m/0.32 mm/0.50 μm, Nitrogen, 35. C @ 4. min, 2. K/min, 235. C @ 30. min
Capillary	PEG-20M	2020.	Yao, Guo, et al., 2005	60. C @ 10. min, 3. K/min, 180. C @ 30. min; Column length: 30. m; Column diameter: 0.25 mm
Capillary	DB-Wax	1969.	López, Ezpeleta, et al., 2004	60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min; T_end: 220. C
Capillary	HP-Innowax	2045.	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	2012.	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	Stabilwax	2019.	Cros, Vandanjon, et al., 2003, 2	60. m/0.25 mm/0.25 μm, Helium, 40. C @ 5. min, 3. K/min, 240. C @ 10. min
Capillary	TC-Wax	2011.	Miyazawa and Okuno, 2003	He, 4. K/min, 250. C @ 30. min; Column length: 60. m; Column diameter: 0.25 mm; T_start: 80. C
Capillary	Carbowax 20M	1946.	Saura, LAencina, et al., 2003	Helium, 50. C @ 2. min, 4. K/min; Column length: 50. m; Column diameter: 0.70 mm; T_end: 280. C
Capillary	DB-Wax	2007.	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	2009.	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	1995.	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-FFAP	2039.	Wanakhachornkrai and Lertsiri, 2003	25. m/0.32 mm/0.5 μm, He, 15. K/min; T_start: 45. C; T_end: 220. C
Capillary	HP-FFAP	2039.	Wanakhachornkrai and Lertsiri, 2003	25. m/0.32 mm/0.5 μm, He, 15. K/min; T_start: 45. C; T_end: 220. C
Capillary	HP-FFAP	2035.	Wanakhachornkrai and Lertsiri, 2003	25. m/0.32 mm/0.5 μm, He, 15. K/min; T_start: 45. C; T_end: 220. C
Capillary	DB-Wax	1955.	Fu, Yoon, et al., 2002	30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 8. K/min, 250. C @ 5. min
Capillary	FFAP	1949.	Lecanu, Ducruet, et al., 2002	30. m/0.32 mm/1. μm, He, 35. C @ 3. min, 5. K/min; T_end: 240. C
Capillary	DB-Wax	1973.	Osorio, Duque, et al., 2002	30. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 220. C @ 20. min
Capillary	DB-Wax	1984.	Osorio, Duque, et al., 2002	30. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 220. C @ 20. min
Capillary	EC-1000	2015.	Bendall, 2001	30. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 5. K/min, 230. C @ 15. min
Capillary	DB-Wax	1951.	Lee and Shibamoto, 2000	30. m/0.25 mm/0.25 μm, He, 3. K/min, 180. C @ 40. min; T_start: 50. C
Capillary	DB-Wax	2005.	Paniandy, Chane-Ming, et al., 2000	60. m/0.32 mm/0.25 μm, Helium, 50. C @ 2. min, 5. K/min; T_end: 230. C
Capillary	DB-Wax	1950.	Parada, Duque, et al., 2000	30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min, 240. C @ 10. min
Capillary	DB-Wax	1989.	Parada, Duque, et al., 2000	30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min, 240. C @ 10. min
Capillary	DB-Wax	1983.	Iwatsuki, Mizota, et al., 1999	4. K/min; Column length: 30. m; Column diameter: 0.53 mm; T_start: 60. C; T_end: 210. C
Capillary	DB-Wax	2000.	Umano, Nakahara, et al., 1999	60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 2. K/min; T_end: 200. C
Capillary	Supelcowax	1990.	Näf and Velluz, 1998	He, 5. K/min; Column length: 60. m; Column diameter: 0.25 mm; T_start: 80. C; T_end: 240. C
Capillary	DB-Wax	2004.	Sekiwa, Kubota, et al., 1997	He, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; T_start: 60. C; T_end: 180. C
Capillary	PEG-20M	1958.	Kubota, Matsujage, et al., 1996	50. m/0.25 mm/0.25 μm, Nitrogen, 2. K/min; T_start: 60. C; T_end: 180. C
Capillary	TC-Wax	2028.	Shuichi, Masazumi, et al., 1996	80. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; T_end: 240. C
Capillary	Carbowax 20M	1956.	Kawakami, Ganguly, et al., 1995	60. C @ 4. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; T_end: 180. C
Capillary	Carbowax 20M	1957.	Kawakami, Kobayashi, et al., 1993	He, 60. C @ 4. min, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; T_end: 180. C
Capillary	DB-Wax	1969.	Hatsuko, Kazuko, et al., 1992	He, 60. C @ 10. min, 3. K/min; Column length: 30. m; Column diameter: 0.25 mm; T_end: 240. C
Capillary	Carbowax 20M	1953.	Kawakami and Kobayashi, 1991	He, 60. C @ 4. min, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; T_end: 180. C
Capillary	PEG-20M	1988.	Kubota, Nakamoto, et al., 1991	N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; T_start: 60. C; T_end: 180. C
Capillary	DB-Wax	1996.	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	Supelcowax-10	2014.	Hsieh, Williams, et al., 1989	60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 1. K/min; T_end: 175. C
Capillary	DB-Wax	2004.	Andersen J.F., Mikolajczak K.L., et al., 1987	Helium, 40. C @ 1. min, 6. K/min; Column length: 30. m; Column diameter: 0.32 mm; T_end: 200. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	1973.	Welke, Manfroi, et al., 2012	30. m/0.25 mm/0.25 μm, Helium; Program: not specified
Capillary	DB-Wax	1978.	Welke, Manfroi, et al., 2012	30. m/0.25 mm/0.25 μm, Helium; Program: not specified
Capillary	DB-Wax	2002.	Welke, Manfroi, et al., 2012	30. m/0.25 mm/0.25 μm, Helium; Program: not specified
Capillary	HP-Innowax	2037.	Xiao, Dai, et al., 2011	60. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (2 min) 3 0C/min -> 150 0C 5 0C/min -> 220 0C (5 min)
Capillary	Supelko CO Wax	2022.	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	2020.	Vekiari, Orepoulou, et al., 2010	60. m/0.32 mm/0.25 μm, Helium; Program: not specified
Capillary	DB-FFAP	1996.	Mebazaa, Mahmoudi, et al., 2009	30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C 2 0C/min -> 100 0C (5 min) 5 0C/min -> 250 0C
Capillary	DB-FFAP	1998.	Mebazaa, Mahmoudi, et al., 2009	30. m/0.25 mm/0.25 μm, Helium; Program: not specified
Capillary	Supelcowax-10	1978.	de Simon, Estruelas, et al., 2009	30. m/0.25 mm/0.25 μm, Helium; Program: 45 0C 3 0C/min -> 230 0C (10 min) 10 0C/min -> 270 0C (21 min)
Capillary	DB-Wax	2007.	Zhao, Xu, et al., 2009	30. m/0.25 mm/0.25 μm, Helium; Program: not specified
Capillary	DB-Wax	1989.	Tao, Wenlai, et al., 2008	30. m/0.32 mm/0.25 μm, Helium; Program: 50 0C 20 0C/min -> 80 0C 3 0C/min -> 230 0C
Capillary	PEG 20M	2004.	Zhang, Zhang, et al., 2008	30. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (3 min) 5 0C/min -> 60 0C 6 0C/min -> 130 0C 10 0C/min -> 230 0C
Capillary	DB-Wax	2007.	Gonzalez-Rios, Suarez-Quiroz, et al., 2007	30. m/0.25 mm/0.25 μm, Hydrogen; Program: 44 0C 3 0C/min -> 170 0C 8 0C/min -> 250 0C
Capillary	DB-Wax	1984.	Gonzalez-Rios, Suarez-Quiroz, et al., 2007	30. m/0.25 mm/0.25 μm, Hydrogen; Program: not specified
Capillary	DB-Wax	2000.	Tian, Zhang, et al., 2007	30. m/0.25 mm/0.25 μm, He; Program: 50 0C (2 min) 6 0C/min -> 150 0C 8 0C/min -> 230 0C (15 min)
Capillary	Supelcowax-10	2020.	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	PEG-20M	2004.	Zhang C., Zhang H., et al., 2007	30. m/0.25 mm/0.25 μm; Program: 40C(3min) => 5C/min => 60C => 6C/min => 130C => 10C/min => 230C (10min)
Capillary	DB-Wax	1993.	Krings, Zelena, et al., 2006	30. m/0.32 mm/0.25 μm, He; Program: 45C(5min) => 5C/min => 150C => 10C/min => 240C (10min)
Capillary	DB-Wax	1996.	Lee, Lee, et al., 2005, 2	60. m/0.32 mm/0.25 μm, He; Program: 30C(4min) => 2C/min => 170C(25min) => 10C/min => 210C(10min)
Capillary	DB-Wax	2000.	Lee, Lee, et al., 2005, 2	60. m/0.32 mm/0.25 μm, He; Program: 30C(4min) => 2C/min => 170C(25min) => 10C/min => 210C(10min)
Capillary	HP-Innowax	2014.	Piasenzotto, Gracco, et al., 2003	30. m/0.32 mm/0.5 μm, He; Program: 50C(4min) => 10C/min => 230C(10min) => 10C/min => 250C
Capillary	DB-Wax	1996.	Mayorga, Knapp, et al., 2001	30. m/0.25 mm/0.25 μm; Program: 50C(4min) => 4C/min => 130C => 1C/min => 190C => 4C/min => 220C(20min)
Capillary	DB-Wax	2009.	Mayorga, Knapp, et al., 2001	30. m/0.25 mm/0.25 μm; Program: 50C(4min) => 4C/min => 130C => 1C/min => 190C => 4C/min => 220C(20min)
Capillary	DB-Wax	1979.	Caldentey, Daria Fumi, et al., 1998	30. m/0.25 mm/0.25 μm, He; Program: 25C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C
Capillary	DB-FFAP	1995.	Lizárraga-Guerra, Guth, et al., 1997	He; Column length: 30. m; Column diameter: 0.32 mm; Program: 35C => 40C/min => 60C (1min) => 6C/min => 250C
Capillary	DB-Wax	1954.	Peng, 1996	30. m/0.53 mm/1.0 μm; Program: 40 0C (4 min) 4 0C/min -> 200 0C (20 min)
Capillary	DB-Wax	1955.	Hatsuko, Kazuko, et al., 1992	He; Column length: 30. m; Column diameter: 0.25 mm; Program: not specified
Capillary	DB-Wax	1954.	Peng, Yang, et al., 1991, 2	Program: not specified
Capillary	Superox 0.6; Carbowax 20M	1961.	Waggott and Davies, 1984	Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
Capillary	Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.	1967.	Waggott and Davies, 1984	Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; 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	151.4	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	151.6	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	DB-5	156.32	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	DB-5	154.7	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	DB-5	156.32	Rostad and Pereira, 1986	30. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-5	152.2	Fuentes, Font, et al., 2007	Column length: 60. m; Program: not specified
Capillary	DB-5MS	150.4	Aracil, Font, et al., 2005	Column length: 60. m; Column diameter: 0.25 mm; Program: not specified
Capillary	Methyl Silicone	156.32	Eckel, Ross, et al., 1993	Program: not specified
Capillary	Methyl Silicone	158.08	Eckel, Ross, et al., 1993	Program: not specified

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), UV/Visible spectrum, 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), UV/Visible spectrum, Gas Chromatography, References

Symbols used in this document:

AE	Appearance energy
C_p,gas	Constant pressure heat capacity of gas
C_p,solid	Constant pressure heat capacity of solid
IE (evaluated)	Recommended ionization energy
P_c	Critical pressure
S°_{solid,1 bar}	Entropy of solid at standard conditions (1 bar)
T	Temperature
T_boil	Boiling point
T_c	Critical temperature
T_fus	Fusion (melting) point
T_triple	Triple point temperature
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°_solid	Enthalpy of combustion of solid at standard conditions
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions
Δ_fH°_solid	Enthalpy of formation of solid 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_subH°	Enthalpy of sublimation at standard conditions
Δ_vapH	Enthalpy of vaporization
Δ_vapH°	Enthalpy of vaporization at standard conditions

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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Data at NIST subscription sites:

Gas phase thermochemistry data

Constant pressure heat capacity of gas

Condensed phase thermochemistry data

Constant pressure heat capacity of solid

Phase change data

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

Free energy of reaction

Henry's Law data

Henry's Law constant (water solution)

Gas phase ion energetics data

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

Free energy of reaction

IR Spectrum

Mass spectrum (electron ionization)

Spectrum

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Credits

Additional Data

UV/Visible spectrum

Spectrum

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Credits

Additional Data

Gas Chromatography

Kovats' RI, non-polar column, isothermal

Kovats' RI, non-polar column, temperature ramp

Kovats' RI, polar column, isothermal

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, 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