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Acenaphthene

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

Quantity Value Units Method Reference Comment
Deltafgas156.8 ± 3.1kJ/molReviewRoux, Temprado, et al., 2008There are sufficient literature values to make a qualified recommendation where the suggested value is in good agreement with values predicted using thermochemical cycles or from reliable estimates. In general, the evaluated uncertainty limits are on the order of (2 to 4) kJ/mol.; DRB
Deltafgas156. ± 4.kJ/molCcbBoyd, Christensen, et al., 1965ALS

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
38.7250.Dorofeeva O.V., 1989GT
55.21100.
77.31150.
103.81200.
147.01273.15
162.2 ± 1.0298.15
163.27300.
220.85400.
269.56500.
308.84600.
340.46700.
366.25800.
387.56900.
405.371000.
420.361100.
433.081200.
443.921300.
453.211400.
461.211500.

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, NIST Free Links, References, Notes

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:
DRB - Donald R. Burgess, Jr.
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
Deltafsolid72. ± 3.1kJ/molReviewRoux, Temprado, et al., 2008There are sufficient literature values to make a qualified recommendation where the suggested value is in good agreement with values predicted using thermochemical cycles or from reliable estimates. In general, the evaluated uncertainty limits are on the order of (2 to 4) kJ/mol.; DRB
Deltafsolid70. ± 3.kJ/molCcbBoyd, Christensen, et al., 1965ALS
Quantity Value Units Method Reference Comment
Deltacsolid-6222. ± 3.kJ/molCcbBoyd, Christensen, et al., 1965Corresponding «DELTA»fsolid = 70.3 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
solid,1 bar188.87J/mol*KN/AFinke, Messerly, et al., 1977DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
190.37298.15Finke, Messerly, et al., 1977T = 10 to 440 K.; DH
185.8298.Sadowska, Stepniewska, et al., 1969T = 20 to 93°C, equation only; liquid, 93 to 200°C, equation only.; DH
210.5298.1Eibert, 1944T = 25 to 200°C, equations only in t°C. Cp(c) = 0.2756 + 0.001854t cal/g*K (25 to 60°C); Cp(liq) = 0.409 + 0.000598t cal/g*K (95 to 200°C).; DH

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, Kenneth Kroenlein director
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

Quantity Value Units Method Reference Comment
Tboil552.2KN/AWeast and Grasselli, 1989BS
Tboil552.KN/ABuckingham and Donaghy, 1982BS
Tboil502.65KN/APerkin, 1896Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Tfus367. ± 4.KAVGN/AAverage of 13 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple366.56KN/AFinke, Messerly, et al., 1977, 2Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple366.55KN/AOsborn and Douslin, 1975Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Deltavap68.0kJ/molCGCZhao, Unhannanant, et al., 2008AC
Deltavap70.5 ± 1.1kJ/molGCHaftka, Parsons, et al., 2006Based on data from 363. - 423. K.; AC
Deltavap66.2kJ/molCGCChickos, Hesse, et al., 1998AC
Deltavap66.2kJ/molN/ARuuzicka, Mokbel, et al., 1998See also Hanshaw, Nutt, et al., 2008.; AC
Deltavap66.5 ± 1.3kJ/molN/AMokbel, Guetachew, et al., 1995See also Hanshaw, Nutt, et al., 2008.; AC
Quantity Value Units Method Reference Comment
Deltasub84.8 ± 0.4kJ/molReviewRoux, Temprado, et al., 2008There are sufficient high-quality literature values to make a good evaluation with a high degree of confidence. In general, the evaluated uncertainty limits are on the order of (0.5 to 2.5) kJ/mol.; DRB
Deltasub84.6kJ/molCGC-DSCChickos, Hesse, et al., 1998AC
Deltasub83.4 ± 1.0kJ/molN/AOsborn and Douslin, 1975, 2See also Finke, Messerly, et al., 1977.; AC
Deltasub86. ± 1.kJ/molVBoyd, Christensen, et al., 1965ALS
Deltasub86.0kJ/molN/ABoyd, Christensen, et al., 1965DRB

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
63.9398.GCLei, Chankalal, et al., 2002Based on data from 323. - 473. K.; AC
61.1366.N/ARuuzicka, Mokbel, et al., 1998See also Hanshaw, Nutt, et al., 2008.; AC
60.6378.N/AMokbel, Guetachew, et al., 1995See also Hanshaw, Nutt, et al., 2008.; AC
54.403.AStephenson and Malanowski, 1987Based on data from 368. - 552. K.; AC
60.3383.AStephenson and Malanowski, 1987Based on data from 368. - 413. K. See also Osborn and Douslin, 1975, 2 and Boublik, Fried, et al., 1984.; AC
61.3395.ICramer, 1943AC
54.3466.IMortimer and Murphy, 1923Based on data from 413. - 561. K.; AC
55.4435.N/AMortimer and Murphy, 1923Based on data from 420. - 561. K. See also Boublik, Fried, et al., 1984.; 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
368. - 413.4.322362062.099-73.146Osborn and Douslin, 1975, 2Coefficents calculated by NIST from author's data.
420.4 - 560.94.931172611.29-20.227Mortimer and Murphy, 1923Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
83.2383.GSNass, Lenoir, et al., 1995Based on data from 313. - 453. K.; AC
77.0318.GSSATO, INOMATA, et al., 1986Based on data from 293. - 342. K.; AC
86.8 ± 0.9303.GSSonnefeld, Zoller, et al., 1983Based on data from 283. - 323. K.; AC
82.4366.BOsborn and Douslin, 1975, 2AC
84.7 ± 2.7283.VRadchenko and Kitaigorodskii, 1974ALS
86.2 ± 0.8290. - 340.MEBoyd, Christensen, et al., 1965See also Cox and Pilcher, 1970.; AC
82.13 ± 0.42368.VAihara, 1959crystal phase; ALS
82.1 ± 0.4300.VAihara, 1959, 2Based on data from 291. - 310. K. See also Stephenson and Malanowski, 1987.; AC
81.6258. - 308.N/AHoyer and Peperle, 1958AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Method Reference Comment
21.4622366.56N/AFinke, Messerly, et al., 1977DH
21.0367.DSCSharma, Gupta, et al., 2008AC
21.46366.6N/ADomalski and Hearing, 1996AC
20.233366.4N/ASadowska, Stepniewska, et al., 1969DH
25.100367.8N/AEibert, 1944DH

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
58.55366.56Finke, Messerly, et al., 1977DH
55.22366.4Sadowska, Stepniewska, et al., 1969DH
68.2367.8Eibert, 1944DH

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, NIST Free Links, References, Notes

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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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

C12H10+ + Acenaphthene = (C12H10+ bullet Acenaphthene)

By formula: C12H10+ + C12H10 = (C12H10+ bullet C12H10)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar71.1kJ/molPHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar120.J/mol*KN/AMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
34.283.PHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M

C12H8+ + Acenaphthene = (C12H8+ bullet Acenaphthene)

By formula: C12H8+ + C12H10 = (C12H8+ bullet C12H10)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar59.4kJ/molPHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar120.J/mol*KN/AMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
26.283.PHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M

C12H11+ + Acenaphthene = (C12H11+ bullet Acenaphthene)

By formula: C12H11+ + C12H10 = (C12H11+ bullet C12H10)

Quantity Value Units Method Reference Comment
Deltar61.9kJ/molPHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar120.J/mol*KN/AMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
23.330.PHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M

C12H9- + Hydrogen cation = Acenaphthene

By formula: C12H9- + H+ = C12H10

Quantity Value Units Method Reference Comment
Deltar1559. ± 10.kJ/molTDEqMeot-ner and Kafafi, 1988gas phase; acenaphthene: 1,8-(1,2-ethano)naphthalene; B
Quantity Value Units Method Reference Comment
Deltar1531. ± 8.4kJ/molTDEqMeot-ner and Kafafi, 1988gas phase; acenaphthene: 1,8-(1,2-ethano)naphthalene; B

C6H7N+ + Acenaphthene = (C6H7N+ bullet Acenaphthene)

By formula: C6H7N+ + C12H10 = (C6H7N+ bullet C12H10)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar73.2kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar115.J/mol*KPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; M

2Hydrogen + Acenaphthene = hexahydroacenaphthylene

By formula: 2H2 + C12H10 = hexahydroacenaphthylene

Quantity Value Units Method Reference Comment
Deltar-110.kJ/molEqkFrye and Weitkamp, 1969gas phase; ALS

Henry's Law 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: Rolf Sander

Henry's Law constant (water solution)

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

H (mol/kg*bar) d(ln(kH))/d(1/T) (K) Method Reference
6.4 XN/A
4.12800.XN/A
4.2 LN/A
0.65 MN/A
6.8 MMackay, Shiu, et al., 1979
13. VN/A

Gas phase ion energetics 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 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)
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 C12H10+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)7.75 ± 0.05eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)851.7kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity821.0kJ/molN/AHunter and Lias, 1998HL

Proton affinity at 298K

Proton affinity (kJ/mol) Reference Comment
849.8Aue, Guidoni, et al., 2000Experimental literature data re-evaluated by the authors using ab initio protonation entropies; MM

Gas basicity at 298K

Gas basicity (review) (kJ/mol) Reference Comment
821.7Aue, Guidoni, et al., 2000Experimental literature data re-evaluated by the authors using ab initio protonation entropies; MM

Ionization energy determinations

IE (eV) Method Reference Comment
7.68 ± 0.05EQMautner(Meot-Ner), 1980LLK
7.73 ± 0.01PEDewar, Haselbach, et al., 1970RDSH
7.66CTSKinoshita, 1962RDSH
7.76 ± 0.03PEHeilbronner, Hoshi, et al., 1976Vertical value; LLK
7.82 ± 0.04PEBoschi, Clar, et al., 1974Vertical value; LLK

De-protonation reactions

C12H9- + Hydrogen cation = Acenaphthene

By formula: C12H9- + H+ = C12H10

Quantity Value Units Method Reference Comment
Deltar1559. ± 10.kJ/molTDEqMeot-ner and Kafafi, 1988gas phase; acenaphthene: 1,8-(1,2-ethano)naphthalene; B
Quantity Value Units Method Reference Comment
Deltar1531. ± 8.4kJ/molTDEqMeot-ner and Kafafi, 1988gas phase; acenaphthene: 1,8-(1,2-ethano)naphthalene; B

Ion clustering 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: Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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

C6H7N+ + Acenaphthene = (C6H7N+ bullet Acenaphthene)

By formula: C6H7N+ + C12H10 = (C6H7N+ bullet C12H10)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar73.2kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase
Quantity Value Units Method Reference Comment
Deltar115.J/mol*KPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase

C12H8+ + Acenaphthene = (C12H8+ bullet Acenaphthene)

By formula: C12H8+ + C12H10 = (C12H8+ bullet C12H10)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar59.4kJ/molPHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar120.J/mol*KN/AMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
26.283.PHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated

C12H10+ + Acenaphthene = (C12H10+ bullet Acenaphthene)

By formula: C12H10+ + C12H10 = (C12H10+ bullet C12H10)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar71.1kJ/molPHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar120.J/mol*KN/AMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
34.283.PHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated

C12H11+ + Acenaphthene = (C12H11+ bullet Acenaphthene)

By formula: C12H11+ + C12H10 = (C12H11+ bullet C12H10)

Quantity Value Units Method Reference Comment
Deltar61.9kJ/molPHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar120.J/mol*KN/AMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
23.330.PHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

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


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, UV/Visible spectrum, Gas Chromatography, NIST Free Links, 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

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 NIST Mass Spectrometry Data Center, 1990.
NIST MS number 113179

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

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, 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 Herington and Jones, 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. 599
Instrument Beckman spectrophotometer
Melting point 93.4
Boiling point 279

Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, NIST Free Links, 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

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-1150.1472.Zhang, Chen, et al., 199725. m/0.2 mm/0.33 «mu»m, N2
CapillaryOV-1150.1472.Zhang, Chen, et al., 199725. m/0.2 mm/0.33 «mu»m, N2
CapillaryOV-1150.1475.Zhang, Chen, et al., 199725. m/0.2 mm/0.33 «mu»m, N2
CapillaryOV-1160.1486.Zhang, Chen, et al., 199725. m/0.2 mm/0.33 «mu»m, N2
CapillaryOV-101140.1463.9Gerasimenko, Kirilenko, et al., 1981N2; Column length: 50. m; Column diameter: 0.3 mm
PackedSE-30150.1475.Shlyakhov, Anvaer, et al., 1975 

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-51481.4Song, Lai, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 4. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51480.5Song, Lai, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 40. C @ 5. min, 4. K/min; Tend: 310. C
CapillaryDB-51468.0Song, Lai, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 2. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51481.4Song, Lai, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 4. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51488.6Song, Lai, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 6. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51468.Lai and Song, 199530. m/0.25 mm/0.25 «mu»m, He, 2. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51481.4Lai and Song, 199530. m/0.25 mm/0.25 «mu»m, He, 4. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51488.6Lai and Song, 199530. m/0.25 mm/0.25 «mu»m, He, 6. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51481.4Lai and Song, 199530. m/0.25 mm/0.25 «mu»m, He, 4. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51480.5Lai and Song, 199530. m/0.25 mm/0.25 «mu»m, He, 40. C @ 5. min, 4. K/min; Tend: 310. C
CapillaryDB-11445.5Farkas, Le Quere, et al., 199430. m/0.25 mm/0.25 «mu»m, H2, 2. K/min; Tstart: 35. C; Tend: 259. C
CapillaryUltra-11445.3Farkas, Le Quere, et al., 199450. m/0.32 mm/0.52 «mu»m, H2, 2. K/min; Tstart: 35. C; Tend: 259. C
CapillaryDB-51493.Rostad and Pereira, 198630. m/0.26 mm/0.25 «mu»m, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min
CapillarySE-541456.Weber, 198625. m/0.31 mm/0.17 «mu»m, H2, 2. K/min; Tstart: 35. C
CapillarySE-541481.Weber, 198625. m/0.31 mm/0.17 «mu»m, H2, 2. K/min; Tstart: 35. C
CapillarySE-521461.Beernaert, 1979He, 50. C @ 5. min, 6. K/min; Column length: 33.3 m; Column diameter: 0.50 mm; Tend: 320. C
CapillarySE-521458.Carugno and Rossi, 1967N2, 1.8 K/min; Column length: 65. m; Column diameter: 0.3 mm; Tstart: 100. C; Tend: 300. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-11455.06Dimitriou-Christidis, Harris, et al., 200330. m/0.25 mm/0.25 «mu»m; Program: 60C => 7C/min => 225C => 15C/min => 300C(11.43min)
CapillaryHP-51488.2Dimitriou-Christidis, Harris, et al., 200330. m/0.25 mm/0.25 «mu»m; Program: 60C => 7C/min => 225C => 15C/min => 300C(11.43min)
CapillaryDB-51503.Havenga and Rohwer, 199930. m/0.25 mm/0.25 «mu»m, He; Program: 60 0C 7 0C/min -> 130 0C 5 0C/min -> 200 0C 6 0C/min -> 260 0C 20 0C/min -> 320 0C (4 min)
CapillaryOV-1011439.Yasuhara, Shiraishi, et al., 199715. m/0.25 mm/0.25 «mu»m, He; Program: 50C(2min) => (20C/min) => 120C => (7C/min) => 310C(10min)
Capillary5 % Phenyl methyl siloxane1472.Yasuhara, Shiraishi, et al., 199725. m/0.31 mm/0.52 «mu»m, He; Program: 50C(2min) => (20C/min) => 120C => (7C/min) => 310C(10min)
CapillaryMethyl Silicone1450.Oda, Ichikawa, et al., 1996Program: 50C (2min) => 20C/min => 160C => 5C/min => 210C => 10C/min => 300C

Normal alkane RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-101120.1464.Nabivach and Gerasimenko, 1996 
CapillaryPolidimethyl siloxane130.1455.Nabivach and Gerasimenko, 1996 
CapillaryPolidimethyl siloxane130.1458.Nabivach and Gerasimenko, 1996 
PackedPolydimethyl siloxane147.1466.Ferrand, 1962 

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5 MS1472.Kotowska, Zalikowski, et al., 201230. m/0.25 mm/0.25 «mu»m, Helium, 35. C @ 5. min, 3. K/min, 300. C @ 15. min
CapillaryHP-5 MS1518.Ukolova and Zenkevich, 201125. m/0.20 mm/0.33 «mu»m, Helium, 10. K/min; Tstart: 40. C; Tend: 280. C
CapillaryHP-5 MS1520.Ukolova and Zenkevich, 201125. m/0.20 mm/0.33 «mu»m, Helium, 10. K/min; Tstart: 40. C; Tend: 280. C
CapillaryHP-5 MS1523.Ukolova and Zenkevich, 201125. m/0.20 mm/0.33 «mu»m, Helium, 10. K/min; Tstart: 40. C; Tend: 280. C
CapillaryHP-5 MS1523.Ukolova and Zenkevich, 201125. m/0.20 mm/0.33 «mu»m, Helium, 10. K/min; Tstart: 40. C; Tend: 280. C
CapillaryHP-5 MS1523.Ukolova and Zenkevich, 201125. m/0.20 mm/0.33 «mu»m, Helium, 10. K/min; Tstart: 40. C; Tend: 280. C
CapillaryHP-5 MS1523.Ukolova and Zenkevich, 201125. m/0.20 mm/0.33 «mu»m, Helium, 10. K/min; Tstart: 40. C; Tend: 280. C
CapillaryHP-5 MS1523.Ukolova and Zenkevich, 201125. m/0.20 mm/0.33 «mu»m, Helium, 10. K/min; Tstart: 40. C; Tend: 280. C
CapillaryHP-5 MS1523.Ukolova and Zenkevich, 201125. m/0.20 mm/0.33 «mu»m, Helium, 10. K/min; Tstart: 40. C; Tend: 280. C
CapillaryHP-5 MS1523.Ukolova and Zenkevich, 201125. m/0.20 mm/0.33 «mu»m, Helium, 10. K/min; Tstart: 40. C; Tend: 280. C
CapillaryHP-5 MS1523.Ukolova and Zenkevich, 201125. m/0.20 mm/0.33 «mu»m, Helium, 10. K/min; Tstart: 40. C; Tend: 280. C
CapillaryHP-5 MS1525.Ukolova and Zenkevich, 201125. m/0.20 mm/0.33 «mu»m, Helium, 10. K/min; Tstart: 40. C; Tend: 280. C
CapillaryHP-5 MS1526.Ukolova and Zenkevich, 201125. m/0.20 mm/0.33 «mu»m, Helium, 10. K/min; Tstart: 40. C; Tend: 280. C
CapillaryDB-51496.Grung, Lichtenthaler, et al., 200730. m/0.25 mm/0.25 «mu»m, 5. K/min, 280. C @ 10. min; Tstart: 40. C
CapillaryHP-51503.Miyazawa and Kawata, 200630. m/0.32 mm/0.25 «mu»m, Helium, 4. K/min, 240. C @ 5. min; Tstart: 40. C
CapillaryC103H2081492.Dumitrescu, Buda, et al., 2000H2, 5. K/min; Phase thickness: 0.25 «mu»m; Tstart: 80. C; Tend: 275. C
CapillaryC103H2081494.Dumitrescu, Buda, et al., 2000H2, 4. K/min; Phase thickness: 0.25 «mu»m; Tstart: 100. C; Tend: 275. C
CapillaryHP-51483.Miao and Wu, 199930. m/0.32 mm/0.25 «mu»m, 50. C @ 2. min, 5. K/min; Tend: 310. C
CapillaryHP-51483.Miao and Wu, 199930. m/0.32 mm/0.25 «mu»m, 50. C @ 2. min, 5. K/min; Tend: 310. C
CapillaryHP-51485.Miao and Wu, 199930. m/0.32 mm/0.25 «mu»m, 50. C @ 2. min, 5. K/min; Tend: 310. C
CapillaryHP-51485.Miao and Wu, 199930. m/0.32 mm/0.25 «mu»m, 50. C @ 2. min, 5. K/min; Tend: 310. C
CapillaryHP-51485.Miao and Wu, 199930. m/0.32 mm/0.25 «mu»m, 50. C @ 2. min, 5. K/min; Tend: 310. C
CapillaryHP-51486.Miao and Wu, 199930. m/0.32 mm/0.25 «mu»m, 50. C @ 2. min, 5. K/min; Tend: 310. C
CapillaryHP-51491.Miao and Wu, 199930. m/0.32 mm/0.25 «mu»m, 50. C @ 2. min, 5. K/min; Tend: 310. C
CapillaryHP-51491.Miao and Wu, 199930. m/0.32 mm/0.25 «mu»m, 50. C @ 2. min, 5. K/min; Tend: 310. C
CapillaryUltra-11460.Elizalde-González, Hutfliess, et al., 199650. m/0.2 mm/0.33 «mu»m, H2, 3. K/min, 300. C @ 35. min; Tstart: 60. C
CapillaryUltra-11437.Okumura, 199125. m/0.32 mm/0.25 «mu»m, He, 3. K/min; Tstart: 80. C; Tend: 260. C
CapillarySE-541474.Harland, Cumming, et al., 1986He, 50. C @ 2. min, 8. K/min, 250. C @ 12. min; Column length: 25. m; Column diameter: 0.32 mm

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

View large format table.

Column type Active phase I Reference Comment
CapillaryTR-5 MS1457.Kurashov, Mitrukova, et al., 201415. m/0.25 mm/0.25 «mu»m, Helium; Program: 35 0C (3 min) 2 0C/min -> 60 0C (3 min) 2 0C/min -> 80 0C (3 min) 4 0C/min -> 120 0C (3 min) 5 0C/min -> 150 0C (3 min) 15 0C/min -> 240 0C (10 min)
CapillaryHP-5 MS1476.Kotowska, Zalikowski, et al., 201230. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryHP-5MS1447.Vichi, Pizzale, et al., 200530. m/0.25 mm/0.25 «mu»m; Program: 40C(3min) => 4C/min => 75C => 8C/min => 250C
CapillaryHP-51446.Ansorena, Astiasarán, et al., 200030. m/0.25 mm/0.25 «mu»m, He; Program: 40C (10min) => 3C/min => 120C => 10C/min => 250C (5min)
CapillaryMethyl Silicone1463.Oda, Yasuhara, et al., 199825. m/0.25 mm/0.25 «mu»m, He; Program: 50 0C (2 min) 20 0C/min -> 160 0C 5 0C/min -> 210 0C 10 0C/min -> 300 0C
CapillaryPolydimethyl siloxane, unknown content of Ph-groups1494.Geldon, 1989Program: not specified
CapillaryPolydimethyl siloxane, unknown content of Ph-groups1494.Geldon, 1989Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.1522.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillarySupelcowax-102132.Vichi, Pizzale, et al., 200530. m/0.25 mm/0.25 «mu»m; Program: 40C(3min) => 4C/min => 75C => 8C/min => 250C
CapillaryDB-Wax2108.Peng, Yang, et al., 1991Program: not specified
CapillaryDB-Wax2133.Peng, Yang, et al., 1991Program: not specified
CapillarySuperox 0.6; Carbowax 20M2092.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillarySuperox 0.6; Carbowax 20M2103.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
CapillaryPE-5254.4Jamoussi, Kanzari, et al., 200720. m/0.18 mm/0.18 «mu»m, 50. C @ 1.5 min, 8. K/min; Tend: 345. C
CapillaryHP-5242.9Wang, Hou, et al., 200730. m/0.30 mm/0.25 «mu»m, Helium, 50. C @ 5. min, 5. K/min, 200. C @ 15. min
CapillaryHP-5243.1Shao, Wang, et al., 200630. m/0.3 mm/0.25 «mu»m, He, 50. C @ 5. min, 5. K/min, 200. C @ 15. min
Capillary5 % Phenyl methyl siloxane251.29Skrbic and Onjia, 20062. K/min; Tstart: 50. C; Tend: 250. C
Capillary5 % Phenyl methyl siloxane253.30Skrbic and Onjia, 200680. C @ 2. min, 8. K/min, 300. C @ 10. min
CapillaryHP-5254.07Pedersen, Durant, et al., 200530. m/0.25 mm/0.25 «mu»m, Helium, 50. C @ 1.5 min, 6. K/min, 310. C @ 10. min
CapillaryHP-5243.16Marynowski, Pieta, et al., 200460. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 35. C; Tend: 300. C
CapillaryHP-5243.16Marynowski, Pieta, et al., 200460. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 35. C; Tend: 300. C
CapillaryDB-5MS254.87Chen, Keeran, et al., 200230. m/0.25 mm/0.5 «mu»m, 40. C @ 1. min, 10. K/min; Tend: 310. C
CapillaryDB-5MS254.36Chen, Keeran, et al., 200230. m/0.25 mm/0.5 «mu»m, 40. C @ 1. min, 4. K/min; Tend: 310. C
CapillaryPTE-5254.04Wang, Jia, et al., 200030. m/0.25 mm/0.25 «mu»m, 60. C @ 1.5 min, 8. K/min, 300. C @ 12.5 min
CapillaryHP-5254.10Miao and Wu, 199950. C @ 2. min, 5. K/min; Tend: 310. C
CapillaryHP-5254.21Miao and Wu, 199950. C @ 2. min, 5. K/min; Tend: 310. C
CapillaryHP-5254.30Miao and Wu, 199950. C @ 2. min, 5. K/min; Tend: 310. C
CapillaryHP-5254.33Miao and Wu, 199950. C @ 2. min, 5. K/min; Tend: 310. C
CapillaryHP-5254.60Miao and Wu, 199950. C @ 2. min, 5. K/min; Tend: 310. C
CapillaryHP-5254.83Miao and Wu, 199950. C @ 2. min, 5. K/min; Tend: 310. C
CapillaryHP-5254.89Miao and Wu, 199950. C @ 2. min, 5. K/min; Tend: 310. C
CapillaryHP-5254.91Miao and Wu, 199950. C @ 2. min, 5. K/min; Tend: 310. C
CapillaryHP-5253.90Piao, Chu, et al., 199930. m/0.25 mm/0.25 «mu»m, 50. C @ 2. min, 4. K/min, 280. C @ 20. min
CapillaryHP-5254.30Piao, Chu, et al., 199930. m/0.25 mm/0.25 «mu»m, 50. C @ 2. min, 4. K/min, 280. C @ 20. min
CapillarySE-52253.54Wang, Peng, et al., 19974. K/min; Column length: 30. m; Column diameter: 0.30 mm; Tstart: 40. C; Tend: 250. C
CapillaryDB-5253.91Williams and Horne, 1995He, 60. C @ 2. min, 5. K/min; Column length: 25. m; Column diameter: 0.3 mm; Tend: 270. C
CapillaryDB-5254.8Donnelly, Abdel-Hamid, et al., 199330. m/0.32 mm/0.25 «mu»m, He, 40. C @ 3. min, 8. K/min, 285. C @ 29.5 min
CapillarySE-54253.71Guillén, Blanco, et al., 198920. m/0.22 mm/0.20 «mu»m, He, 4. K/min; Tstart: 50. C; Tend: 300. C
CapillaryDB-5253.67Wise, Benner, et al., 198830. m/0.25 mm/0.25 «mu»m, 40. C @ 2. min, 4. K/min, 280. C @ 5. min
CapillaryDB-5254.98Rostad and Pereira, 198630. m/0.26 mm/0.25 «mu»m, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min
CapillaryDB-5231.65Tong, Centen, et al., 1985He, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 90. C; Tend: 325. C
CapillarySE-52253.14Vassilaros, Kong, et al., 198220. m/0.30 mm/0.25 «mu»m, H2, 40. C @ 2. min, 4. K/min; Tend: 265. C
CapillarySE-52251.29Lee, Vassilaros, et al., 197912. m/0.3 mm/0.34 «mu»m, He, 2. K/min; Tstart: 50. C; Tend: 250. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5255.Fuentes, Font, et al., 2007Column length: 60. m; Program: not specified
CapillaryHP-5MS253.56Wang, Li, et al., 200730. m/0.25 mm/0.25 «mu»m, He; Program: 60C(2min) => 6C/min => 258C => 2C/min => 300C(4min)
CapillaryHP-5MS253.56Wang, Li, et al., 2007, 230. m/0.25 mm/0.25 «mu»m, He; Program: not specified
CapillaryHP-5MS253.67Wang, Li, et al., 2007, 230. m/0.25 mm/0.25 «mu»m, He; Program: not specified
CapillaryDB-5MS254.5Aracil, Font, et al., 2005Column length: 60. m; Column diameter: 0.25 mm; Program: not specified
CapillaryHP-5MS251.99Cheng, Liu, et al., 200530. m/0.30 mm/0.25 «mu»m, He; Program: 50 0C (2 min) 8 0C/min -> 120 0C (3 min) 10 0C/min -> 230 0C
CapillaryLM-5245.85Ré-Poppi and Santiago-Silva, 200530. m/0.25 mm/0.25 «mu»m, He; Program: 60C(2min) => 15C/min => 180C => 5C/min => 280C (10min)
CapillaryLM-5245.9Ré-Poppi and Santiago-Silva, 200530. m/0.25 mm/0.25 «mu»m, He; Program: 60C(2min) => 15C/min => 180C => 5C/min => 280C (10min)
CapillaryUltra-1251.3Sremac, Skrbic, et al., 200550. m/0.32 mm/0.50 «mu»m, Nitrogen; Program: 40-100 0C 3-15 0C/min -> 290 0C
CapillaryUltra-1253.3Sremac, Skrbic, et al., 200550. m/0.32 mm/0.50 «mu»m, Nitrogen; Program: 40-100 0C 3-15 0C/min -> 290 0C
CapillaryUltra-1253.5Sremac, Skrbic, et al., 200550. m/0.32 mm/0.50 «mu»m, Nitrogen; Program: 40-100 0C 3-15 0C/min -> 290 0C
CapillaryDB-5253.3Lundstedt, Haglund, et al., 200330. m/0.25 mm/0.25 «mu»m; Program: not specified
CapillaryLM-5245.85Ré-Poppi and Santiago-Silva, 200230. m/0.25 mm/0.25 «mu»m, He; Program: 60C(2min) => 15C/min => 180C => 5C/min => 280C(5min)
CapillaryLM-5245.90Ré-Poppi and Santiago-Silva, 200230. m/0.25 mm/0.25 «mu»m, He; Program: 60C(2min) => 15C/min => 180C => 5C/min => 280C(5min)
CapillarySE-52257.17Wang, Peng, et al., 1997Column length: 30. m; Column diameter: 0.30 mm; Program: not specified
CapillaryDB-5255.6Paschke, Herbel, et al., 199230. m/0.25 mm/0.25 «mu»m, He; Program: 60 0C (3 min) 10 0C/min -> 100 0C (3 min) 5 0C/min -> 300 0C
CapillarySE-54253.5Peterman and Delfino, 199015. m/0.25 mm/0.25 «mu»m, He; Program: 125 0C (15 min) 1 0C/min -> 131 0C 4 0C/min -> 247 0C 8 0C/min -> 280 0C (15 min)
CapillaryOV-101247.8Tucminen, Wickstrom, et al., 1986Program: 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, NIST Free Links, Notes

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

Roux, Temprado, et al., 2008
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Finke, Messerly, et al., 1977
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Finke, Messerly, et al., 1977, 2
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Notes

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