Cyclopentanone

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Gas phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled 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
Δfgas-197.4 ± 1.3kJ/molCmWiberg, Crocker, et al., 1991ALS
Δfgas-194.8 ± 1.7kJ/molCcbWolf, 1972ALS
Δfgas-193.0 ± 1.8kJ/molCcbSellers and Sunner, 1962Reanalyzed by Cox and Pilcher, 1970, Original value = -193.8 kJ/mol; ALS

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
38.3150.Thermodynamics Research Center, 1997p=1 bar. Selected entropies and heat capacities agree within 2 J/mol*K with statistical values calculated by [ Shvaro O.V., 1987] except for S(1000 K) which value is about 6 J/mol*K lower than that of [ Thermodynamics Research Center, 1997]. Discrepancies with statistical calculation of [ Andreevskii D.N., 1976] amount to 4-12 J/mol*K for S(T) and 3-8 J/mol*K for Cp(T).; GT
45.17100.
53.92150.
65.64200.
87.22273.15
95.33298.15
95.93300.
128.42400.
157.31500.
181.43600.
201.42700.
218.14800.
232.24900.
244.211000.
254.411100.
263.11200.
270.61300.
277.11400.
282.61500.

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
116.90360.Shvaro O.V., 1987GT
121.16375.
128.03400.
133.86420.
139.31440.
144.04460.
149.22480.

Condensed phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfliquid-240.2 ± 1.3kJ/molCmWiberg, Crocker, et al., 1991 
Δfliquid-237.4 ± 1.7kJ/molCcbWolf, 1972 
Δfliquid-236.5kJ/molCcbSellers and Sunner, 1962 
Quantity Value Units Method Reference Comment
Δcliquid-2873.5 ± 1.6kJ/molCcbWolf, 1972Corresponding Δfliquid = -237.35 kJ/mol (simple calculation by NIST; no Washburn corrections)
Δcliquid-2874.0 ± 0.92kJ/molCcbSellers and Sunner, 1962Corresponding Δfliquid = -236.9 kJ/mol (simple calculation by NIST; no Washburn corrections)
Δcliquid-2870. ± 0.8kJ/molCcbSkuratov, Kozina, et al., 1957At 20C; Corresponding Δfliquid = -241. kJ/mol (simple calculation by NIST; no Washburn corrections)

Phase change data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil403. ± 1.KAVGN/AAverage of 13 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus221.7KN/AWurflinger and Kreutzenbeck, 1978Uncertainty assigned by TRC = 0.3 K; TRC
Tfus220.05KN/ASellers and Sunner, 1962Uncertainty assigned by TRC = 0.5 K; TRC
Tfus222.6KN/AAnonymous, 1954Uncertainty assigned by TRC = 0.6 K; TRC
Tfus221.85KN/ATimmermans, 1952Uncertainty assigned by TRC = 0.4 K; TRC
Tfus221.85KN/ATimmermans and Hennaut-Roland, 1937Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Ttriple221.44KN/AShvaro, 1987Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Tc624.5KN/AAmbrose and Ghiassee, 1987Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Pc46.00barN/AAmbrose and Ghiassee, 1987Uncertainty assigned by TRC = 0.50 bar; TRC
Quantity Value Units Method Reference Comment
Δvap42.6 ± 0.4kJ/molAVGN/AAverage of 6 values; Individual data points

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
41.5338.EBTeodorescu, Barhala, et al., 2006Based on data from 323. to 403. K.; AC
40.6332.N/AAmbrose and Ghiassee, 1987, 2Based on data from 317. to 427. K.; AC
42.6308.AStephenson and Malanowski, 1987Based on data from 293. to 404. K.; AC
39.6353.A,EBStephenson and Malanowski, 1987Based on data from 338. to 416. K. See also Meyer and Hotz, 1976.; AC
36.35403.7N/AMajer and Svoboda, 1985 
43.6286.N/ABenson and Kistiakowsky, 1942Based on data from 273. to 299. 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
273.09 to 298.791.08305376.418-168.499Benson and Kistiakowsky, 1942Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
11.4221.2Gonthier-Vassal and Szwarc, 1998AC

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

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
B - John E. Bartmess

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

Cyclopentanone + Hydrogen = Cyclopentanol

By formula: C5H8O + H2 = C5H10O

Quantity Value Units Method Reference Comment
Δr-60.25 ± 0.67kJ/molCmWiberg, Crocker, et al., 1991liquid phase; ALS
Δr-51.25 ± 0.63kJ/molChydConn, Kistiakowsky, et al., 1939gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -52.3 ± 0.3 kJ/mol; At 355 K; ALS

C5H7O- + Hydrogen cation = Cyclopentanone

By formula: C5H7O- + H+ = C5H8O

Quantity Value Units Method Reference Comment
Δr1540. ± 18.kJ/molG+TSBrickhouse and Squires, 1988gas phase; B
Quantity Value Units Method Reference Comment
Δr1507. ± 17.kJ/molIMRBBrickhouse and Squires, 1988gas phase; B

Cyclopentanol = Cyclopentanone + Hydrogen

By formula: C5H10O = C5H8O + H2

Quantity Value Units Method Reference Comment
Δr54.9 ± 4.7kJ/molEqkFedoseenko, Yursha, et al., 1984gas phase; ALS
Δr51.30kJ/molEqkCubberley and Mueller, 1946gas phase; ALS

1-Methoxycyclopentene + Water = Cyclopentanone + Methyl Alcohol

By formula: C6H10O + H2O = C5H8O + CH4O

Quantity Value Units Method Reference Comment
Δr-21.22 ± 0.69kJ/molCmHine and Arata, 1976liquid phase; Heat of hydrolysis; ALS

Water + 1,1-Dimethoxycyclopentane = Cyclopentanone + 2Methyl Alcohol

By formula: H2O + C7H14O2 = C5H8O + 2CH4O

Quantity Value Units Method Reference Comment
Δr16. ± 2.kJ/molCmWiberg, Morgan, et al., 1994liquid phase; ALS

Cyclopentanone + 2Methyl Alcohol = Water + 1,1-Dimethoxycyclopentane

By formula: C5H8O + 2CH4O = H2O + C7H14O2

Quantity Value Units Method Reference Comment
Δr-44. ± 1.kJ/molCmWiberg, Morgan, et al., 1994gas phase; ALS

Cyclohexanone + Cyclopentanol = Cyclohexanol + Cyclopentanone

By formula: C6H10O + C5H10O = C6H12O + C5H8O

Quantity Value Units Method Reference Comment
Δr-11.6 ± 1.7kJ/molEqkFedoseenko, Yursha, et al., 1984gas phase; ALS

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data 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

Quantity Value Units Method Reference Comment
IE (evaluated)9.26 ± 0.01eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)823.7kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity794.0kJ/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
0.00169EFDDesfrancois, Abdoul-Carime, et al., 1994EA: 1.7 meV. Dipole-bound state.; B

Proton affinity at 298K

Proton affinity (kJ/mol) Reference Comment
828. ± 4.Morlender-Vais and Holmes, 2001MM

Ionization energy determinations

IE (eV) Method Reference Comment
9.28 ± 0.01PECocksey, Eland, et al., 1971LLK
9.25 ± 0.02PEChadwick, Frost, et al., 1971LLK
9.26 ± 0.01PIWatanabe, Nakayama, et al., 1962RDSH
9.42 ± 0.03PIVilesov, 1960RDSH
9.3PEBieri, Asbrink, et al., 1982Vertical value; LBLHLM
9.10PEKovac and Klasinc, 1978Vertical value; LLK
9.28PEGerson, Worley, et al., 1978Vertical value; LLK
9.28PEHentrich, Gunkel, et al., 1974Vertical value; LLK
9.25 ± 0.02PEChadwick, Frost, et al., 1971, 2Vertical value; LLK

De-protonation reactions

C5H7O- + Hydrogen cation = Cyclopentanone

By formula: C5H7O- + H+ = C5H8O

Quantity Value Units Method Reference Comment
Δr1540. ± 18.kJ/molG+TSBrickhouse and Squires, 1988gas phase; B
Quantity Value Units Method Reference Comment
Δr1507. ± 17.kJ/molIMRBBrickhouse and Squires, 1988gas phase; B

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, References, Notes

Data compiled by: Coblentz Society, Inc.

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


Mass spectrum (electron ionization)

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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

Spectrum

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Mass 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 D.HENNEBERG, MAX-PLANCK INSTITUTE, MULHEIM, WEST GERMANY
NIST MS number 61744

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UV/Visible spectrum

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

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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

Spectrum

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UVVis spectrum
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Additional Data

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Source Rambart-Lucas and Grumes, 1950
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. 49
Instrument n.i.g.
Melting point -51.3
Boiling point 130.5

Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedC78, Branched paraffin130.741.1Dallos, Sisak, et al., 2000He; Column length: 3.3 m
PackedC78, Branched paraffin130.740.9Reddy, Dutoit, et al., 1992Chromosorb G HP; Column length: 3.3 m
PackedApolane130.744.Dutoit, 1991Column length: 3.7 m
PackedApiezon L120.770.Bogoslovsky, Anvaer, et al., 1978Celite 545
PackedApiezon L160.780.Bogoslovsky, Anvaer, et al., 1978Celite 545
PackedApiezon L130.766.Bogoslovsky, Anvaer, et al., 1978 
CapillarySqualane60.734.Ryba, 1976Column length: 50. m; Column diameter: 0.25 mm
PackedApiezon L130.766.Wehrli and Kováts, 1959Celite; Column length: 2.25 m

Kovats' RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-1752.Takeoka, Perrino, et al., 199660. m/0.25 mm/0.25 μm, 30. C @ 4. min, 2. K/min; Tend: 220. C
CapillaryDB-1759.Takeoka, Perrino, et al., 199660. m/0.25 mm/0.25 μm, 30. C @ 4. min, 2. K/min; Tend: 220. C

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

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Column type Active phase I Reference Comment
CapillaryDB-5797.Methven L., Tsoukka M., et al., 200760. m/0.32 mm/1. μm, 40. C @ 2. min, 4. K/min, 260. C @ 10. min
CapillaryCP-Sil 8CB-MS795.Hierro, de la Hoz, et al., 200460. m/0.25 mm/0.25 μm, 40. C @ 2. min, 4. K/min, 280. C @ 5. min
CapillaryDB-1749.6Sun and Stremple, 200330. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 325. C
CapillaryDB-5793.8Xu, van Stee, et al., 200330. m/0.25 mm/1. μm, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C
CapillarySPB-1766.Larráyoz, Addis, et al., 200130. m/0.32 mm/4. μm, He, 45. C @ 13. min, 5. K/min, 240. C @ 5. min

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

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Column type Active phase I Reference Comment
CapillaryCP-Sil 8CB-MS798.Elmore, Mottram, et al., 200060. m/0.25 mm/0.25 μm, He; Program: 0C(5min) => 40C/min => 40C (2min) => 4C/min => 280C
CapillaryDB-5808.Parker, Hassell, et al., 200050. m/0.32 mm/0.5 μm, He; Program: oC(5min) => 60C/min => 60C (5min) => 4C/min => 250C
CapillaryBPX-5811.Elmore, Mottram, et al., 199950. m/0.32 mm/0.5 μm, He; Program: 0C(5min) => 40C/min => 40C(2min) => 4C/min => 280C

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

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Column type Active phase I Reference Comment
CapillaryCP-Wax 52CB1176.Alasalvar, Taylor, et al., 200560. m/0.25 mm/0.25 μm, 35. C @ 4. min, 3. K/min; Tend: 203. C
CapillarySupelcowax-101200.Elmore, Nisyrios, et al., 200560. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 280. C
CapillaryDB-Wax1144.Fröhlich, Duque, et al., 198930. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; Tend: 250. C
CapillaryDB-Wax1150.Fröhlich, Duque, et al., 198930. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; Tend: 250. C
CapillaryCP-WAX 57CB1164.Baltes and Mevissen, 1988He, 50. C @ 5. min, 2. K/min; Column length: 50. m; Column diameter: 0.24 mm; Tend: 210. C
CapillaryPEG-20M1211.7Wang and Sun, 19852. K/min; Column length: 62. m; Column diameter: 0.27 mm; Tstart: 100. C
CapillaryPEG-20M1200.Wang and Sun, 19853. K/min; Column length: 62. m; Column diameter: 0.27 mm; Tstart: 70. C
CapillaryPEG-20M1203.1Wang and Sun, 19854. K/min; Column length: 62. m; Column diameter: 0.27 mm; Tstart: 70. C
CapillaryPEG-20M1200.Wang and Sun, 19852. K/min; Column length: 62. m; Column diameter: 0.27 mm; Tstart: 80. C
CapillaryPEG-20M1206.3Wang and Sun, 19852. K/min; Column length: 62. m; Column diameter: 0.27 mm; Tstart: 90. C
CapillaryCarbowax 20M1166.Chen, Kuo, et al., 1982He, 50. C @ 10. min, 1. K/min; Tend: 160. C

Normal alkane RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryPolydimethyl siloxane105.771.Tello, Lebron-Aguilar, et al., 2009 
CapillaryPolydimethyl siloxane75.764.Tello, Lebron-Aguilar, et al., 2009 
CapillaryPolydimethyl siloxane90.767.Tello, Lebron-Aguilar, et al., 2009 
CapillaryMethyl Silicone100.769.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryMethyl Silicone120.775.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryMethyl Silicone140.780.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryMethyl Silicone80.764.Lebrón-Aguilar, Quintanilla-López, et al., 2007 

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryVF-5 MS793.Leffingwell and Alford, 201160. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C
CapillaryVF-5 MS794.Leffingwell and Alford, 201160. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C
CapillarySPB-5791.Vasta, Ratel, et al., 200760. m/0.32 mm/1. μm, 40. C @ 5. min, 3. K/min, 230. C @ 5. min
CapillaryMDN-5791.van Loon, Linssen, et al., 200560. m/0.25 mm/0.25 μm, He, 40. C @ 4. min, 4. K/min, 270. C @ 5. min
CapillarySPB-5789.Poligné, Collignan, et al., 200160. m/0.32 mm/1. μm, He, 3. K/min; Tstart: 40. C; Tend: 200. C
CapillaryDB-1747.Lu, Yu, et al., 199760. m/0.32 mm/1. μm, He, 40. C @ 2. min, 2. K/min, 280. C @ 40. min
CapillaryDB-1767.Ciccioli, Cecinato, et al., 199260. m/0.32 mm/1.2 μm, He, 30. C @ 10. min, 3. K/min; Tend: 240. C
CapillaryDB-1761.Habu, Flath, et al., 19853. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 0. C; Tend: 250. C

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

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Column type Active phase I Reference Comment
CapillaryHP-5796.Thierry, Maillard, et al., 200560. m/0.32 mm/1. μm; Program: not specified
CapillarySE-30802.Vinogradov, 2004Program: not specified
CapillarySPB-5788.Begnaud, Pérès, et al., 200360. m/0.32 mm/1. μm; Program: not specified
CapillaryDB-5MS767.Fu, Yoon, et al., 2002Program: not specified
CapillaryHP-5766.Jordán, Goodner, et al., 200230. m/0.25 mm/0.25 μm; Program: not specified
CapillaryMethyl phenyl siloxane (not specified)789.Poligne, Collignan, et al., 2002Program: not specified
CapillaryDB-5791.Mateo and Zumalacárregui, 199650. m/0.32 mm/0.25 μm, He; Program: 40C (10min) => 3C/min => 95C => 10C/min => 270C (10min)
CapillaryDB-5794.Mateo and Zumalacárregui, 199650. m/0.32 mm/0.25 μm, He; Program: 40C (10min) => 3C/min => 95C => 10C/min => 270C (10min)
CapillaryDB-1754.Ciccioli, Cecinato, et al., 199460. m/0.32 mm/0.25 μm; Program: not specified
CapillarySPB-1761.1Chang, Giang, et al., 199330. m/0.53 mm/1.5 μm; Program: 35C (6min) => 3C/min => 100C => 6C/min => 250C => 30C => 260C (2.5min)
CapillaryDB-1754.Ciccioli, Brancaleoni, et al., 199360. 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

Normal alkane RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-Innowax1170.Puvipirom and Chaisei, 201215. m/0.32 mm/0.50 μm, Helium, 3. K/min; Tstart: 40. C; Tend: 250. C
CapillaryHP-Innowax1192.Soria, Sanz, et al., 200850. m/0.20 mm/0.20 μm, Helium, 45. C @ 2. min, 4. K/min, 190. C @ 50. min
CapillaryPEG-20M1172.Narain, Almeida, et al., 200450. m/0.20 mm/0.20 μm, 40. C @ 5. min, 3. K/min, 180. C @ 30. min
CapillaryDB-Wax1154.Fu, Yoon, et al., 200230. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 8. K/min, 250. C @ 5. min
CapillaryDB-Wax1142.Osorio, Duque, et al., 200230. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 220. C @ 20. min
CapillaryDB-Wax1144.Osorio, Duque, et al., 200230. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 220. C @ 20. min
CapillaryHP-Wax1202.Sanz, Maeztu, et al., 200260. m/0.25 mm/0.5 μm, He, 40. C @ 6. min, 3. K/min; Tend: 190. C
CapillaryDB-Wax1170.Wei, Mura, et al., 200160. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 200. C
CapillaryDB-Wax1176.Pollak and Berger, 199630. m/0.32 mm/0.5 μm, He, 40. C @ 1. min, 3. K/min, 210. C @ 25. min

Normal alkane RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryDB-Wax1154.Welke, Manfroi, et al., 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryDB-Wax1186.Welke, Manfroi, et al., 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryDB-Wax1187.Peng, Yang, et al., 1991Program: not specified
CapillaryCarbowax1167.Baltes and Bochmann, 1987Program: not specified
CapillaryCarbowax1167.Baltes and Bochmann, 1987Program: not specified
CapillaryCarbowax1168.Baltes and Bochmann, 1987Program: not specified
CapillaryCarbowax1168.Baltes and Bochmann, 1987Program: not specified
CapillaryCarbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.1185.Waggott and Davies, 1984Hydrogen; 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
CapillaryDB-5116.Williams and Horne, 1995He, 60. C @ 2. min, 5. K/min; Column length: 25. m; Column diameter: 0.3 mm; Tend: 270. C

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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Baltes and Bochmann, 1987
Baltes, W.; Bochmann, G., Model reactions on roast aroma formations, V. Mass spectrometric identification of pyrifines, oxazoles, and carbocyclic compounds from the reaction of serine and threonine with sucrose under the conditions of coffee roasting, Z. Lebensm. Unters. Forsch., 1987, 185, 1, 5-9, https://doi.org/10.1007/BF01083331 . [all data]

Waggott and Davies, 1984
Waggott, A.; Davies, I.W., Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]

Williams and Horne, 1995
Williams, P.T.; Horne, P.A., Analysis of aromatic hydrocarbons in pyrolytic oil derived from biomass, J. Anal. Appl. Pyrolysis, 1995, 31, 15-37, https://doi.org/10.1016/0165-2370(94)00814-H . [all data]


Notes

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