Naphthalene, 1,2,3,4-tetrahydro-

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Gas phase thermochemistry data

Go To: Top, 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 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
Δfgas7.17kcal/molN/AGood and Lee, 1976Value computed using ΔfHliquid° value of -28.6±1.0 kj/mol from Good and Lee, 1976 and ΔvapH° value of 58.6 kj/mol from Boyd, Sanwal, et al., 1971.; DRB
Δfgas6.22 ± 0.47kcal/molCcbBoyd, Sanwal, et al., 1971Reanalyzed by Pedley, Naylor, et al., 1986, Original value = 5.29 ± 0.81 kcal/mol; ALS

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
9.44350.Dorofeeva O.V., 1988Recommended values were calculated statistically mechanically using force field approximation for polycyclic aromatic hydrocarbons to estimate the needed vibrational frequencies (see also [ Dorofeeva O.V., 1986]). These functions are reproduced in the reference book [ Frenkel M., 1994]. Values of S(298.15 K)=368.6 and Cp(298.15 K)=146.6 J/mol*K were calculated using molecular constants estimated by molecular mechanics [ Boyd R.H., 1971]. Discrepancies with semiempirical calculation [ Szekely, 1955] amount to 14 and 6 J/mol*K for S and Cp at 298.15 K. Cp(298.15 K) calculated by semiempirical calculation [ Vvedenskii A.A., 1957] agrees well with value recommended here.; GT
13.23100.
17.98150.
23.49200.
32.737273.15
36.08 ± 0.48298.15
36.324300.
49.391400.
60.782500.
70.179600.
77.894700.
84.288800.
89.646900.
94.1681000.
98.0091100.
101.281200.
104.091300.
106.501400.
108.581500.

Phase change data

Go To: Top, Gas phase thermochemistry 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil480. ± 1.KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus237.3 ± 0.9KAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple237.3400KN/AMcCullough, Finke, et al., 1957Uncertainty assigned by TRC = 0.07 K; TRC
Ttriple237.3500KN/AMcCullough, Finke, et al., 1957Uncertainty assigned by TRC = 0.05 K; TRC
Quantity Value Units Method Reference Comment
Tc720. ± 1.KN/ATsonopoulos and Ambrose, 1995 
Tc721.7KN/AGude and Teja, 1994Uncertainty assigned by TRC = 0.5 K; by the flow method; TRC
Tc719.9KN/ATeja and Anselme, 1990Uncertainty assigned by TRC = 1. K; TRC
Tc721.KN/ASteele, Chirico, et al., 1988Uncertainty assigned by TRC = 1.5 K; TRC
Quantity Value Units Method Reference Comment
Pc36.0 ± 1.atmN/ATsonopoulos and Ambrose, 1995 
Pc35.83atmN/AGude and Teja, 1994Uncertainty assigned by TRC = 0.25 atm; by the flow method; TRC
Pc37.01atmN/ASteele, Chirico, et al., 1988Uncertainty assigned by TRC = 0.79 atm; TRC
Quantity Value Units Method Reference Comment
Vc0.408l/molN/ATsonopoulos and Ambrose, 1995 
Quantity Value Units Method Reference Comment
ρc2.5 ± 0.1mol/lN/ATsonopoulos and Ambrose, 1995 
ρc2.45mol/lN/ATeja and Anselme, 1990Uncertainty assigned by TRC = 0.05 mol/l; TRC
ρc2.27mol/lN/ASteele, Chirico, et al., 1988Uncertainty assigned by TRC = 0.11 mol/l; TRC
Quantity Value Units Method Reference Comment
Δvap13.2 ± 0.3kcal/molVBoyd, Sanwal, et al., 1971ALS
Δvap14.0kcal/molN/ABoyd, Sanwal, et al., 1971DRB

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
10.5480.N/ALee, Dempsey, et al., 1992Based on data from 465. to 580. K.; AC
12.2326.AStephenson and Malanowski, 1987Based on data from 311. to 481. K.; AC
9.87 ± 0.02498.CNatarajan and Viswanath, 1985AC
8.99 ± 0.02552.CNatarajan and Viswanath, 1985AC
8.53 ± 0.02567.CNatarajan and Viswanath, 1985AC
8.10 ± 0.02585.CNatarajan and Viswanath, 1985AC
7.65 ± 0.02604.CNatarajan and Viswanath, 1985AC
12.5346.N/AKatayama and Harada, 1984Based on data from 331. to 437. K.; AC
11.6382.N/AStull, 1947Based on data from 367. to 479. K.; AC

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
367.0 to 479.44.121001690.912-70.229Herz and Schuftan, 1922Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
2.9749237.36McCullough, Finke, et al., 1957, 2DH
2.976237.4Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
12.53237.36McCullough, Finke, et al., 1957, 2DH

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, Phase change 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: 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

2Hydrogen + Naphthalene = Naphthalene, 1,2,3,4-tetrahydro-

By formula: 2H2 + C10H8 = C10H12

Quantity Value Units Method Reference Comment
Δr-29.8kcal/molEqkFrye and Weitkamp, 1969gas phase
Δr-28.8 ± 1.2kcal/molEqkWilson, Caflisch, et al., 1958gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -32.0 ± 1.2 kcal/mol; At 400 K

Hydrogen + Naphthalene, 1,2-dihydro- = Naphthalene, 1,2,3,4-tetrahydro-

By formula: H2 + C10H10 = C10H12

Quantity Value Units Method Reference Comment
Δr-24.10 ± 0.20kcal/molChydWilliams, 1942liquid phase; solvent: Acetic acid; At 302 K

Hydrogen + 1,4-Dihydronaphthalene = Naphthalene, 1,2,3,4-tetrahydro-

By formula: H2 + C10H10 = C10H12

Quantity Value Units Method Reference Comment
Δr-27.1 ± 0.1kcal/molChydWilliams, 1942liquid phase; solvent: Acetic acid; At 302 K

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
MM - Michael M. Meot-Ner (Mautner)
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C10H12+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)8.46 ± 0.02eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)193.5kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity186.9kcal/molN/AHunter and Lias, 1998HL

Proton affinity at 298K

Proton affinity (kcal/mol) Reference Comment
191.4Aue, Guidoni, et al., 2000Experimental literature data re-evaluated by the authors using ab initio protonation entropies; MM

Gas basicity at 298K

Gas basicity (review) (kcal/mol) Reference Comment
185.0Aue, 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
8.44EIDass and Gross, 1985LBLHLM
8.48 ± 0.05EQMautner(Meot-Ner), 1980LLK
8.47CTSPitt, 1970RDSH
8.73EILoudon, Maccoll, et al., 1970RDSH
9.14 ± 0.05EIMeier, Heiss, et al., 1968RDSH
8.45 ± 0.02PEMaier and Turner, 1973Vertical value; LLK
8.44PEBrogli, Giovannini, et al., 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C8H8+11.31?EILoudon, Maccoll, et al., 1970RDSH

IR Spectrum

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

Data compiled by: Coblentz Society, Inc.

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


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR 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 compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

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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 CONTINENTAL OIL CO., PONCA CITY, OKLA, USA
NIST MS number 34859

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Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), 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
CapillaryHP-1100.1143.Zhang, Li, et al., 1992N2; Column length: 25. m; Column diameter: 0.20 mm
CapillaryHP-1100.1143.Zhang, Li, et al., 1992N2; Column length: 25. m; Column diameter: 0.20 mm
CapillaryOV-1160.1168.5Meusinger and Engewald, 1991Column length: 20. m; Column diameter: 0.3 mm
CapillaryOV-1100.1142.8Engewald and Maurer, 1990Column length: 60. m; Column diameter: 0.32 mm
CapillaryOV-1120.1154.Engewald and Maurer, 1990Column length: 60. m; Column diameter: 0.32 mm
CapillaryOV-101145.1180.Grinberg, Tokarev, et al., 1984He; Column length: 50. m; Column diameter: 0.25 mm
CapillaryOV-101145.1179.Grinberg, Tokarev, et al., 1984He; Column length: 100. m; Column diameter: 0.25 mm
PackedSE-30150.1170.Tiess, 1984Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m
CapillaryOV-101100.1142.Boneva, Papazova, et al., 1983N2; Column length: 85. m; Column diameter: 0.28 mm
CapillaryOV-101100.1142.Boneva, Papazova, et al., 1983N2; Column length: 85. m; Column diameter: 0.28 mm
CapillaryOV-101110.1147.Boneva, Papazova, et al., 1983N2; Column length: 85. m; Column diameter: 0.28 mm
CapillaryOV-10190.1136.Boneva, Papazova, et al., 1983N2; Column length: 85. m; Column diameter: 0.28 mm
CapillarySE-3070.1129.8Tóth, 1983N2; Column length: 15. m; Column diameter: 0.25 mm
CapillarySE-30130.1164.Bredael, 1982Column length: 100. m; Column diameter: 0.5 mm
CapillarySE-30150.1178.Bredael, 1982Column length: 100. m; Column diameter: 0.5 mm
CapillarySE-3080.1137.Bredael, 1982Column length: 100. m; Column diameter: 0.5 mm
CapillarySqualane86.1133.2Macák, Nabivach, et al., 1982N2; Column length: 50. m; Column diameter: 0.25 mm
CapillarySqualane96.1137.6Macák, Nabivach, et al., 1982N2; Column length: 50. m; Column diameter: 0.25 mm
CapillaryOV-101140.1168.7Gerasimenko, Kirilenko, et al., 1981N2; Column length: 50. m; Column diameter: 0.3 mm
CapillaryOV-101160.1179.8Gerasimenko, Kirilenko, et al., 1981N2; Column length: 50. m; Column diameter: 0.3 mm
CapillarySqualane100.1140.Bogoslovsky, Anvaer, et al., 1978 
CapillarySqualane110.1142.Bogoslovsky, Anvaer, et al., 1978 
CapillarySqualane120.1150.Bogoslovsky, Anvaer, et al., 1978 
CapillarySqualane130.1155.Bogoslovsky, Anvaer, et al., 1978 
CapillarySqualane90.1133.Bogoslovsky, Anvaer, et al., 1978 
CapillarySqualane92.1137.Bogoslovsky, Anvaer, et al., 1978 
CapillarySqualane86.1133.2Nabivach, Bur'yan, et al., 1978Column length: 50. m; Column diameter: 0.25 mm
CapillarySqualane96.1137.6Nabivach, Bur'yan, et al., 1978Column length: 50. m; Column diameter: 0.25 mm
PackedSE-30120.1165.Mitra, Mohan, et al., 1974N2, Chrom W; Column length: 6.1 m
PackedSE-30130.1168.Mitra, Mohan, et al., 1974N2, Chrom W; Column length: 6.1 m
PackedSE-30140.1173.Mitra, Mohan, et al., 1974N2, Chrom W; Column length: 6.1 m
CapillarySqualane100.1140.Mitra, Mohan, et al., 1974, 2H2; Column length: 50. m; Column diameter: 0.2 mm
CapillarySE-3065.1125.6Svob and Deur-Siftar, 1974He; Column length: 25.5 m; Column diameter: 0.5 mm
CapillarySqualane120.1150.Schomburg, 1966 

Kovats' RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryOV-1011136.Hayes and Pitzer, 1982110. m/0.25 mm/0.20 μm, He, 1. K/min; Tstart: 35. C; Tend: 200. C

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

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Column type Active phase I Reference Comment
CapillaryPetrocol DH-1001163.35Haagen-Smit Laboratory, 1997He; Column length: 100. m; Column diameter: 0.2 mm; Program: 5C(10min) => 5C/min => 50C(48min) => 1.5C/min => 195C(91min)

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryPEG-20M70.1490.4Tóth, 1983N2; Column length: 30. m; Column diameter: 0.3 mm
PackedCarbowax 20M140.1476.Szabó and Jánosi, 1979Ar, Chromosorb W; Column length: 1.5 m

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

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Column type Active phase I Reference Comment
CapillaryPetrocol DH1153.9Censullo, Jones, et al., 200350. m/0.25 mm/0.5 μm, He, 35. C @ 10. min, 3. K/min, 200. C @ 10. min
CapillaryDB-51151.7Song, Lai, et al., 200330. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51158.5Song, Lai, et al., 200330. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51162.5Song, Lai, et al., 200330. m/0.25 mm/0.25 μm, He, 6. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51179.4Xu, van Stee, et al., 200330. m/0.25 mm/1. μm, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C
CapillaryOV-11142.9Gautzsch and Zinn, 19968. K/min; Tstart: 35. C; Tend: 300. C
CapillaryDB-51151.7Lai and Song, 199530. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51158.5Lai and Song, 199530. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51162.5Lai and Song, 199530. m/0.25 mm/0.25 μm, He, 6. K/min; Tstart: 40. C; Tend: 310. C
CapillaryPetrocol DH1140.47White, Douglas, et al., 1992100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryPetrocol DH1140.85White, Douglas, et al., 1992100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryPetrocol DH1141.White, Hackett, et al., 1992100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryDB-51163.Rostad and Pereira, 198630. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min
CapillaryUltra-11130.46Haynes and Pitzer, 198550. m/0.22 mm/0.33 μm, He, 1. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-11138.09Haynes and Pitzer, 198550. m/0.22 mm/0.33 μm, He, 2. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-11142.95Haynes and Pitzer, 198550. m/0.22 mm/0.33 μm, He, 3. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-21157.79Haynes and Pitzer, 198550. m/0.22 mm/0.33 μm, He, 1. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-21166.27Haynes and Pitzer, 198550. m/0.22 mm/0.33 μm, He, 2. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-21171.51Haynes and Pitzer, 198550. m/0.22 mm/0.33 μm, He, 3. K/min; Tstart: -30. C; Tend: 240. C
CapillaryOV-1011136.Hayes and Pitzer, 1981108. m/0.25 mm/0.2 μm, 1. K/min; Tstart: 35. C; Tend: 200. C

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

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Column type Active phase I Reference Comment
PackedSE-301169.Peng, Ding, et al., 1988Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min)

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

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Column type Active phase I Reference Comment
CapillarySupelcowax-101523.Cadwallader, Tan, et al., 199560. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 200. C @ 30. min
CapillaryDB-Wax1517.Shimoda, Shigematsu, et al., 199560. m/0.25 mm/0.25 μm, 2. K/min; Tstart: 50. C; Tend: 230. C

Normal alkane RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillarySqualane100.1133.Berezkin, 1993 
CapillarySqualane100.1137.Berezkin, 1993 
CapillarySqualane110.1142.Papazova and Pankova, 1975N2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane130.1155.Papazova and Pankova, 1975N2; Column length: 100. m; Column diameter: 0.25 mm
PackedPolydimethyl siloxane110.1147.Ferrand, 1962 
PackedPolydimethyl siloxane147.1166.Ferrand, 1962 

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxane: CP-Sil 5 CB1169.Bramston-Cook, 201360. m/0.25 mm/1.0 μm, Helium, 45. C @ 1.45 min, 3.6 K/min, 210. C @ 2.72 min
CapillaryHP-5 MS1155.Kotowska, Zalikowski, et al., 201230. m/0.25 mm/0.25 μm, Helium, 35. C @ 5. min, 3. K/min, 300. C @ 15. min
CapillaryPetrocol DH1148.Supelco, 2012100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min
CapillaryPetrocol DH1152.Supelco, 2012100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min
CapillaryVF-5 MS1162.Leffingwell and Alford, 201160. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C
CapillaryVF-5 MS1164.Leffingwell and Alford, 201160. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C
CapillaryVF-51174.Li and Zhao, 200930. m/0.25 mm/0.25 μm, Helium, 60. C @ 2. min, 10. K/min, 300. C @ 10. min
CapillaryOV-11136.Orav, Kailas, et al., 19992. K/min; Tstart: 50. C; Tend: 160. C
CapillaryUltra-11147.Elizalde-González, Hutfliess, et al., 199650. m/0.2 mm/0.33 μm, H2, 3. K/min, 300. C @ 35. min; Tstart: 60. C
CapillaryUltra-21167.King, Hamilton, et al., 199350. m/0.32 mm/0.52 μm, He, 40. C @ 3. min, 4. K/min, 250. C @ 30. min
CapillaryDB-11137.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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5 MS1158.Kotowska, Zalikowski, et al., 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryPolydimethyl siloxane with 5 % Ph groups1171.Robinson, Adams, et al., 2012Program: not specified
CapillaryPolydimethyl siloxane with 5 % Ph groups1179.Robinson, Adams, et al., 2012Program: not specified
CapillarySqualane1137.Chen, 2008Program: not specified
CapillaryHP-51162.Zhao, Li, et al., 200830. 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)
CapillaryHP-51163.Zhao, Li, et al., 200830. m/0.25 mm/0.25 μm; Program: not specified
CapillaryPolymethylsiloxane, (PMS-20000)1130.Cornwell and Cordano, 2003Program: not specified
CapillaryHP Ultra 11144.Hernandes, Vargas-Arispuro, et al., 199925. m/0.20 mm/0.33 μm, Nitrogen; Program: 50 0C 4 0C/min -> 180 0C 10 0C/min -> 280 0C
CapillaryDB-11169.Peng, 199630. 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)
CapillaryOV-11142.1Engewald and Maurer, 1990Column length: 60. m; Column diameter: 0.32 mm; Program: 1) 1st 30m column temp ramp 4C/min 60-120C 2)2nd 30m column isothermal 100C
CapillaryOV-11152.9Engewald and Maurer, 1990Column length: 60. m; Column diameter: 0.32 mm; Program: 1) 1st 30m column temp ramp 4C/min 60-120C. 2) 2nd 30m column isothermal 120C.
CapillaryOV-11149.7Engewald and Maurer, 1990Column length: 60. m; Column diameter: 0.32 mm; Program: 1) 1st 30m column temp ramp 6C/min 60-120C. 2) 2nd 30m column isothermal 120C.
CapillaryOV-11152.4Engewald and Maurer, 1990Column length: 60. m; Column diameter: 0.32 mm; Program: 1)1st 30m column temp ramp 3C/min 60-120 2)2nd 30m column isothermal 120C
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.1141.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.1136.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryApieson L1153.Vaisberg and Gizitdinova, 1969Helium; Column length: 50. m; Column diameter: 0.25 mm; Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1565.Shimadzu, 201230. m/0.32 mm/0.50 μm, Helium, 4. K/min; Tstart: 40. C; Tend: 260. C
CapillaryDB-Wax1565.Shimadzu Corporation, 200330. m/0.32 mm/0.5 μm, He, 4. K/min; Tstart: 40. C; Tend: 260. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryCarbowax 20M1490.Cornwell and Cordano, 2003Program: not specified
CapillaryDB-Wax1525.Peng, 199630. m/0.53 mm/1.0 μm; Program: 40 0C (4 min) 4 0C/min -> 200 0C (20 min)
CapillaryDB-Wax1525.Peng, Yang, et al., 1991Program: not specified
CapillaryDB-Wax1525.Peng, Yang, et al., 1991Program: not specified

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5MS195.21Chen, Keeran, et al., 200230. m/0.25 mm/0.5 μm, 40. C @ 1. min, 10. K/min; Tend: 310. C
CapillaryDB-5195.47Rostad and Pereira, 198630. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min
CapillarySE-52197.04Lee, Vassilaros, et al., 197912. m/0.3 mm/0.34 μm, He, 2. K/min; Tstart: 50. C; Tend: 250. C

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), 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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Shimadzu Corporation, 2003
Shimadzu Corporation, Analysis of pharmaceutical residual solvent (observation of separation), 2003, retrieved from http://www.shimadzu.com.br/analitica/aplicacoes/book/pharm69.pdf. [all data]

Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Ding, S.F., Prediction of rentention idexes. II. Structure-retention index relationship on polar columns, J. Chromatogr., 1991, 586, 1, 85-112, https://doi.org/10.1016/0021-9673(91)80028-F . [all data]

Chen, Keeran, et al., 2002
Chen, P.H.; Keeran, W.S.; Van Ausdale, W.A.; Schindler, D.R.; Roberts, D.W., Application of Lee retention indices to the confirmation of tentatively identified compounds from GC/MS analysis of environmental samples, Technical paper, Analytical Services Division, Environmental ScienceEngineering, Inc, PO Box 1703, Gainesville, FL 32602, 2002, 11. [all data]

Lee, Vassilaros, et al., 1979
Lee, M.L.; Vassilaros, D.L.; White, C.M.; Novotny, M., Retention Indices for Programmed-Temperature Capillary-Column Gas Chromatography of Polycyclic Aromatic Hydrocarbons, Anal. Chem., 1979, 51, 6, 768-773, https://doi.org/10.1021/ac50042a043 . [all data]


Notes

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