Carbon Tetrachloride

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Gas phase thermochemistry data

Go To: Top, Phase change data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Vibrational and/or electronic energy levels, 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

Quantity Value Units Method Reference Comment
Δfgas-25. ± 5.kcal/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
gas,1 bar74.008cal/mol*KReviewChase, 1998Data last reviewed in December, 1968

Gas Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. to 6000.
A 24.64469
B 1.001110
C -0.269234
D 0.022867
E -0.458801
F -31.86800
G 100.9640
H -22.94000
ReferenceChase, 1998
Comment Data last reviewed in December, 1968

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

Quantity Value Units Method Reference Comment
Tboil349.8 ± 0.3KAVGN/AAverage of 82 out of 89 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus250.3 ± 0.3KAVGN/AAverage of 31 out of 37 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple249. ± 3.KAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Tc556.36KN/AAltunin, Geller, et al., 1987Uncertainty assigned by TRC = 0.2 K; TRC
Tc556.4KN/AMajer and Svoboda, 1985 
Tc556.3KN/ACampbell and Chatterjee, 1969Uncertainty assigned by TRC = 0.2 K; TRC
Tc558.35KN/ALivingston, Morgan, et al., 1908Uncertainty assigned by TRC = 5. K; calculation based on extrap. of density and surface tension; TRC
Quantity Value Units Method Reference Comment
Pc44.34atmN/AAltunin, Geller, et al., 1987Uncertainty assigned by TRC = 0.49 atm; TRC
Pc44.980atmN/ACampbell and Chatterjee, 1969Uncertainty assigned by TRC = 0.09998 atm; TRC
Quantity Value Units Method Reference Comment
ρc3.62mol/lN/ACampbell and Chatterjee, 1969Uncertainty assigned by TRC = 0.02 mol/l; TRC
ρc3.625mol/lN/AKordes, 1954Uncertainty assigned by TRC = 0.02 mol/l; TRC
ρc3.625mol/lN/ALewis, 1953Uncertainty assigned by TRC = 0.03 mol/l; TRC
Quantity Value Units Method Reference Comment
Δvap7.7 ± 0.4kcal/molAVGN/AAverage of 7 values; Individual data points

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
7.127349.9N/AMajer and Svoboda, 1985 
7.27364.AStephenson and Malanowski, 1987Based on data from 349. to 416. K.; AC
6.98427.AStephenson and Malanowski, 1987Based on data from 412. to 497. K.; AC
7.31509.AStephenson and Malanowski, 1987Based on data from 494. to 555. K.; AC
8.05277.A,EBStephenson and Malanowski, 1987Based on data from 262. to 349. K. See also Boublík and Aim, 1972.; AC
7.72308.N/AHildenbrand and McDonald, 1959Based on data from 293. to 351. K.; AC
7.58325.N/ABarker, Brown, et al., 1953Based on data from 313. to 338. K.; AC

Enthalpy of vaporization

ΔvapH = A exp(-βTr) (1 − Tr)β
    ΔvapH = Enthalpy of vaporization (at saturation pressure) (kcal/mol)
    Tr = reduced temperature (T / Tc)

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Temperature (K) A (kcal/mol) β Tc (K) Reference Comment
298. to 358.10.960.2656556.4Majer and Svoboda, 1985 

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
293.03 to 350.864.017201221.781-45.739Hildenbrand and McDonald, 1959, 2Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
9.06227. to 248.N/AGoto, Fujinawa, et al., 1996AC
10.3226.BBondi, 1963AC
9.27217.N/AJones, 1960Based on data from 209. to 225. K. See also Goto, Fujinawa, et al., 1996.; AC

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
0.643249.Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
4.897224.6Domalski and Hearing, 1996CAL
2.586249.
4.85225.4
2.41250.3
4.90225.7
2.44250.5

Enthalpy of phase transition

ΔHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
1.107225.7crystaline, IIcrystaline, IMorrison and Richards, 1976DH
0.6123250.53crystaline, IliquidMorrison and Richards, 1976DH
0.4417245.70crystaline, IIliquidArentsen and Van Miltenburg, 1972DH
0.6185250.28crystaline, IliquidArentsen and Van Miltenburg, 1972Stable phase.; DH
1.095225.35crystaline, IIcrystaline, IChang and Westrum, 1970DH
0.6011250.3crystaline, IliquidChang and Westrum, 1970DH
1.095225.35crystaline, IIcrystaline, IHicks, Hooley, et al., 1944DH
0.6011250.3crystaline, IliquidHicks, Hooley, et al., 1944DH
1.099224.6crystaline, IIcrystaline, ILatimer, 1922DH
0.6439249.crystaline, IliquidLatimer, 1922DH
1.100225.63crystaline, IIcrystaline, IStull, 1937DH
0.5810250.37crystaline, IliquidStull, 1937DH

Entropy of phase transition

ΔStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
4.904225.7crystaline, IIcrystaline, IMorrison and Richards, 1976DH
2.4441250.53crystaline, IliquidMorrison and Richards, 1976DH
1.80245.70crystaline, IIliquidArentsen and Van Miltenburg, 1972DH
2.443250.28crystaline, IliquidArentsen and Van Miltenburg, 1972Stable; DH
4.859225.35crystaline, IIcrystaline, IChang and Westrum, 1970DH
2.400250.3crystaline, IliquidChang and Westrum, 1970DH
4.859225.35crystaline, IIcrystaline, IHicks, Hooley, et al., 1944DH
2.402250.3crystaline, IliquidHicks, Hooley, et al., 1944DH
4.90224.6crystaline, IIcrystaline, ILatimer, 1922DH
2.58249.crystaline, IliquidLatimer, 1922DH
6.310225.63crystaline, IIcrystaline, IStull, 1937DH
2.32250.37crystaline, IliquidStull, 1937DH

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:


Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Phase change data, Ion clustering data, IR Spectrum, Vibrational and/or electronic energy levels, 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:
L - Sharon G. Lias

Data compiled as indicated in comments:
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
LL - Sharon G. Lias and Joel F. Liebman
B - John E. Bartmess

Quantity Value Units Method Reference Comment
IE (evaluated)11.47 ± 0.01eVN/AN/AL

Electron affinity determinations

EA (eV) Method Reference Comment
0.80 ± 0.34IMRBStaneke, Groothuis, et al., 1995EA > EA(CH2S-.), and Cl-A(CCl3.) < Cl-A(CCl4); B
2.00 ± 0.20NBIELacmann, Maneira, et al., 1983B
2.00 ± 0.20NBIEDispert and Lacmann, 1978B
2.12 ± 0.10SIGaines, Kay, et al., 1966The Magnetron method, lacking mass analysis, is not considered reliable.; B

Ionization energy determinations

IE (eV) Method Reference Comment
11.5 ± 0.1EIKime, Driscoll, et al., 1987LBLHLM
11.3PEVon Niessen, Asbrink, et al., 1982LBLHLM
11.47 ± 0.08PEBassett and Lloyd, 1971LLK
11.47PEDewar and Worley, 1969RDSH
11.47 ± 0.01PIWatanabe, 1957RDSH
11.0 ± 1.0EIBaker and Tate, 1938RDSH
11.69PEKimura, Katsumata, et al., 1981Vertical value; LLK
11.69PEDixon, Murrell, et al., 1971Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C+24. ± 1.4ClPIBurton, Chan, et al., 1994LL
C+23.5 ± 0.24ClEIBaker and Tate, 1938RDSH
CCl+17. ± 1.3ClPIBurton, Chan, et al., 1994LL
CCl+19.35 ± 0.05Cl2+Cl?EIReed and Snedden, 1958RDSH
CCl+19.4 ± 0.1Cl2+Cl?EIBlanchard and LeGoff, 1957RDSH
CCl+17.1 ± 0.23ClEIBaker and Tate, 1938RDSH
CCl2+14. ± 1.Cl2PIBurton, Chan, et al., 1994LL
CCl2+16. ± 1.2ClPIBurton, Chan, et al., 1994LL
CCl2+15.4?EIShapiro and Lossing, 1968RDSH
CCl2+16.0 ± 0.22ClEIBaker and Tate, 1938RDSH
CCl3+11. ± 1.ClPIBurton, Chan, et al., 1994LL
CCl3+11.28 ± 0.03ClPIWerner, Tsai, et al., 1974LLK
CCl3+11.37ClEILossing, 1972LLK
CCl3+11.65 ± 0.10ClEIFox and Curran, 1961RDSH
CCl3+11.90 ± 0.07ClEIReed and Snedden, 1958RDSH
CCl3+11.7 ± 0.1ClEIFarmer, Henderson, et al., 1956RDSH
CCl3+12.2 ± 0.2ClEIBaker and Tate, 1938RDSH
Cl+24. ± 1.C+Cl+Cl2PIBurton, Chan, et al., 1994LL
Cl+19. ± 1.CCl+Cl2PIBurton, Chan, et al., 1994LL
Cl+16.1 ± 0.2CCl3EIFox and Curran, 1961RDSH
Cl+19.1 ± 0.2?EIBaker and Tate, 1938RDSH
Cl2+23. ± 1.C+2ClPIBurton, Chan, et al., 1994LL
Cl2+16.4 ± 0.5?EIBaker and Tate, 1938RDSH
Cl2+23.0 ± 1.0C+2ClEIBaker and Tate, 1938RDSH

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 as indicated in comments:
B - John E. Bartmess
M - 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

CCl5- + 2Carbon Tetrachloride = C2Cl9-

By formula: CCl5- + 2CCl4 = C2Cl9-

Quantity Value Units Method Reference Comment
Δr9.30kcal/molN/AHiraoka, Mizuno, et al., 2001gas phase; B
Quantity Value Units Method Reference Comment
Δr3.04kcal/molTDAsHiraoka, Mizuno, et al., 2001gas phase; B

Chlorine anion + Carbon Tetrachloride = (Chlorine anion • Carbon Tetrachloride)

By formula: Cl- + CCl4 = (Cl- • CCl4)

Quantity Value Units Method Reference Comment
Δr13.4 ± 2.0kcal/molTDAsHiraoka, Mizuno, et al., 2001gas phase; B
Δr14.20 ± 0.70kcal/molTDAsDougherty, Dalton, et al., 1974gas phase; B,M
Quantity Value Units Method Reference Comment
Δr27.8cal/mol*KHPMSDougherty, Dalton, et al., 1974gas phase; M
Quantity Value Units Method Reference Comment
Δr5.05kcal/molTDAsHiraoka, Mizuno, et al., 2001gas phase; B
Δr5.90 ± 0.90kcal/molTDAsDougherty, Dalton, et al., 1974gas phase; B

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

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

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


Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering 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: Takehiko Shimanouchi

Symmetry:   Td     Symmetry Number σ = 12


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

a1 1 Sym str 459  C  ia 458.7 p liq.
e 2 Deg deform 217  C  ia 217.0 dp liq.
f2 3 Deg str 776  E 789 VS gas 790.4 dp liq. FR14)
f2 3 Deg str 776  E 768 VS gas 761.7 dp liq. FR14)
f2 4 Deg deform 314  C 309.9 W liq. 313.5 dp liq.

Source: Shimanouchi, 1972

Notes

VSVery strong
WWeak
iaInactive
pPolarized
dpDepolarized
FRFermi resonance with an overtone or a combination tone indicated in the parentheses.
C3~6 cm-1 uncertainty
E15~30 cm-1 uncertainty

Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Vibrational and/or electronic energy levels, 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 paraffin130.680.5Dallos, Sisak, et al., 2000He; Column length: 3.3 m
CapillaryDB-160.660.Dewulf, Van Langenhove, et al., 199730. m/0.53 mm/5.0 μm, He
PackedC78, Branched paraffin130.680.7Reddy, Dutoit, et al., 1992Chromosorb G HP; Column length: 3.3 m
PackedApolane130.680.Dutoit, 1991Column length: 3.7 m
PackedOV-1100.667.Castello and Gerbino, 1988He, Chromosorb W DMCS; Column length: 3. m
PackedOV-1125.673.Castello and Gerbino, 1988He, Chromosorb W DMCS; Column length: 3. m
PackedOV-175.662.Castello and Gerbino, 1988He, Chromosorb W DMCS; Column length: 3. m
PackedSqualane80.648.Pacáková, Vojtechová, et al., 1988N2, Chezasorb AW-HMDS; Column length: 1.2 m
PackedSE-30150.680.Tiess, 1984Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m
PackedSE-30100.672.Winskowski, 1983Gaschrom Q; Column length: 2. m
PackedPorapack Q200.628.Goebel, 1982N2
PackedApolane70.663.1Riedo, Fritz, et al., 1976He, Chromosorb; Column length: 2.4 m
PackedSqualane50.647.Vernon, 1971N2
PackedApiezon L100.679.Brown, Chapman, et al., 1968N2, DCMS-treated Chromosorb W; Column length: 2.3 m
PackedDC-200100.669.Rohrschneider, 1966Column length: 4. m
PackedSqualane100.656.Rohrschneider, 1966Column length: 5. m
PackedApiezon L100.682.Rohrschneider, 1966Column length: 5. m
PackedApiezon L130.691.von Kováts, 1958Celite (40:60 Gewichtsverhaltnis)
PackedApiezon L70.671.von Kováts, 1958Celite (40:60 Gewichtsverhaltnis)

Kovats' RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryCBP-1657.Shimadzu, 200325. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 200. C

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedSP-1000100.900.66Castello and Gerbino, 1988He, Chromosorb W DMCS; Column length: 3. m
PackedSP-1000125.902.2Castello and Gerbino, 1988He, Chromosorb W DMCS; Column length: 3. m
PackedSP-100075.886.54Castello and Gerbino, 1988He, Chromosorb W DMCS; Column length: 3. m
PackedCarbowax 20M75.888.Goebel, 1982N2, Kieselgur (60-100 mesh); Column length: 2. m
PackedCarbowax 20M100.895.Rohrschneider, 1966Column length: 2. m

Kovats' RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryCBP-20868.Shimadzu, 200325. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 200. C

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

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Column type Active phase I Reference Comment
CapillaryDB-1645.7Helmig, Pollock, et al., 199630. m/0.25 mm/1. μm, 6. K/min; Tstart: -50. C; Tend: 180. C
CapillaryDB-5661.Helmig, Pollock, et al., 199660. m/0.33 mm/0.25 μm, 6. K/min; Tstart: -50. C; Tend: 180. C
CapillarySE-54663.Weber, 198625. m/0.31 mm/0.17 μm, H2, 2. K/min; Tstart: 35. C
CapillaryOV-1652.Schreyen, Dirinck, et al., 19761. K/min; Column length: 183. m; Column diameter: 0.762 mm; Tstart: 0. C; Tend: 230. C

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

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Column type Active phase I Reference Comment
CapillarySupelcowax-10879.Bianchi, Careri, et al., 200730. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)

Normal alkane RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryDB-160.661.Shimadzu, 2003, 260. m/0.32 mm/1. μm, He
PackedSynachrom150.611.Dufka, Malinsky, et al., 1971Helium, Synachrom (60-80 mesh); Column length: 1.5 m
PackedSynachrom150.618.Dufka, Malinsky, et al., 1971Helium, Synachrom (60-80 mesh); Column length: 1.5 m
PackedSqualane100.651.Vernon, 1971N2
PackedDC-400150.675.Anderson, 1968Helium, Gas-Pak (60-80 mesh); Column length: 3.0 m

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
PackedSE-30659.MHA, 9999Nitrogen, Chromosorb G AW DMCS (80-100 mesh); Column length: 2. m; Tstart: 100. C; Tend: 300. C
CapillaryHP-5656.Isidorov and Jdanova, 20023. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 200. C
CapillaryBP-1663.Health Safety Executive, 200050. m/0.22 mm/0.75 μm, He, 5. K/min; Tstart: 50. C; Tend: 200. C
CapillarySE-54661.Huang, Liang, et al., 199636. m/0.25 mm/0.25 μm, 5. K/min; Tstart: 35. C; Tend: 240. C
CapillaryDB-1654.Ciccioli, Cecinato, et al., 199260. m/0.32 mm/1.2 μm, He, 30. C @ 10. min, 3. K/min; Tend: 240. C
CapillaryOV-101645.Misharina, Golovnya, et al., 199150. m/0.32 mm/0.5 μm, He, 4. K/min; Tstart: 50. C; Tend: 250. C
CapillaryDB-1645.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
CapillaryMethyl Silicone658.Zenkevich, 2001Program: not specified
CapillarySPB-1661.Flanagan, Streete, et al., 199760. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
CapillaryDB-5664.Sorimachi, Tanabe, et al., 1995He; Column length: 30. m; Program: not specified
CapillaryMethyl Silicone658.Zenkevich, Korolenko, et al., 1995Program: not specified
CapillaryDB-1645.Ciccioli, Cecinato, et al., 199460. m/0.32 mm/0.25 μm; Program: not specified
CapillaryDB-1645.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
CapillarySPB-1661.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C
CapillarySPB-1659.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 μm, Helium; Program: not specified
CapillaryCP Sil 8 CB664.Weller and Wolf, 198940. m/0.25 mm/0.25 μm, He; Program: 30 0C (1 min) 15 0C/min -> 45 0C 3 0C/min -> 120 0C
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.646.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.658.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.672.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.673.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryOV-1659.Ramsey and Flanagan, 1982Program: not specified
CapillarySE-30649.Heydanek and McGorrin, 1981He; Column length: 50. m; Column diameter: 0.5 mm; Program: -10C (8min) => 12C/min => 26C => 3C/min => 170C (30min)

Normal alkane RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryDB-Wax60.908.Shimadzu, 2003, 250. m/0.32 mm/1. μm, He

Normal alkane RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-Wax900.Shimadzu, 201230. m/0.32 mm/0.50 μm, Helium, 4. K/min; Tstart: 40. C; Tend: 260. C
CapillaryDB-Wax900.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

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Column type Active phase I Reference Comment
CapillarySupelcowax 10864.Soria, Martinez-Castro, et al., 200850. m/0.25 mm/0.25 μm, Helium; Program: 45 0C (15 min) 3 0C/min -> 75 0C 5 0C/min -> 180 0C (10 min)
CapillaryPolyethylene Glycol886.Zenkevich, Korolenko, et al., 1995Program: not specified
CapillaryCarbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.888.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryCarbowax 20M886.Ramsey and Flanagan, 1982Program: not specified
CapillaryPolyethylene Glycol872.MacLeod and Pieris, 1981Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, Notes

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

Chase, 1998
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Stephenson and Malanowski, 1987
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Hildenbrand and McDonald, 1959, 2
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Baker and Tate, 1938
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Blanchard and LeGoff, 1957
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Shapiro and Lossing, 1968
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Werner, Tsai, et al., 1974
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Lossing, 1972
Lossing, F.P., Free radicals by mass spectrometry. XLIV. Ionization potentials bond dissociation energies for chloro-and fluoromethyl radicals, Bull. Soc. Chim. Belg., 1972, 81, 125. [all data]

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Farmer, Henderson, et al., 1956
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Hiraoka, Mizuno, et al., 2001
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Dougherty, Dalton, et al., 1974
Dougherty, R.C.; Dalton, J.; Roberts, J.D., SN2 reactions in the gas phase: Structure of the transition state, Org. Mass Spectrom., 1974, 8, 77. [all data]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]

Dallos, Sisak, et al., 2000
Dallos, A.; Sisak, A.; Kulcsár, Z.; Kováts, E., Pair-wise interactions by gas chromatography VII. Interaction free enthalpies of solutes with secondary alcohol groups, J. Chromatogr. A, 2000, 904, 2, 211-242, https://doi.org/10.1016/S0021-9673(00)00908-0 . [all data]

Dewulf, Van Langenhove, et al., 1997
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Reddy, Dutoit, et al., 1992
Reddy, K.S.; Dutoit, J.-Cl.; Kovats, E. sz., Pair-wise interactions by gas chromatography. I. Interaction free enthalpies of solutes with non-associated primary alcohol groups, J. Chromatogr., 1992, 609, 1-2, 229-259, https://doi.org/10.1016/0021-9673(92)80167-S . [all data]

Dutoit, 1991
Dutoit, J., Gas chromatographic retention behaviour of some solutes on structurally similar polar and non-polar stationary phases, J. Chromatogr., 1991, 555, 1-2, 191-204, https://doi.org/10.1016/S0021-9673(01)87179-X . [all data]

Castello and Gerbino, 1988
Castello, G.; Gerbino, T.C., Effect of Temperature on the Gas Chromatographic Separation of Halogenated Compounds on Polar and Non-Polar Stationary Phases, J. Chromatogr., 1988, 437, 33-45, https://doi.org/10.1016/S0021-9673(00)90369-8 . [all data]

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Pacáková, V.; Vojtechová, H.; Coufal, P., Reaction gas chromatography: study of the photodecomposition of halogenated hydrocarbons, Chromatographia, 1988, 25, 7, 621-626, https://doi.org/10.1007/BF02327659 . [all data]

Tiess, 1984
Tiess, D., Gaschromatographische Retentionsindices von 125 leicht- bis mittelflüchtigen organischen Substanzen toxikologisch-analytischer Relevanz auf SE-30, Wiss. Z. Wilhelm-Pieck-Univ. Rostock Math. Naturwiss. Reihe, 1984, 33, 6-9. [all data]

Winskowski, 1983
Winskowski, J., Gaschromatographische Identifizierung von Stoffen anhand von Indexziffem und unterschiedlichen Detektoren, Chromatographia, 1983, 17, 3, 160-165, https://doi.org/10.1007/BF02271041 . [all data]

Goebel, 1982
Goebel, K.-J., Gaschromatographische Identifizierung Niedrig Siedender Substanzen Mittels Retentionsindices und Rechnerhilfe, J. Chromatogr., 1982, 235, 1, 119-127, https://doi.org/10.1016/S0021-9673(00)95793-5 . [all data]

Riedo, Fritz, et al., 1976
Riedo, F.; Fritz, D.; Tarján, G.; Kováts, E.Sz., A tailor-made C87 hydrocarbon as a possible non-polar standard stationary phase for gas chromatography, J. Chromatogr., 1976, 126, 63-83, https://doi.org/10.1016/S0021-9673(01)84063-2 . [all data]

Vernon, 1971
Vernon, F., An investigation into hydrogen bonding in gas-liquid chromatography, J. Chromatogr., 1971, 63, 249-257, https://doi.org/10.1016/S0021-9673(01)85637-5 . [all data]

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Rohrschneider, L., Eine methode zur charakterisierung von gaschromatographischen trennflüssigkeiten, J. Chromatogr., 1966, 22, 6-22, https://doi.org/10.1016/S0021-9673(01)97064-5 . [all data]

von Kováts, 1958
von Kováts, E., 206. Gas-chromatographische Charakterisierung organischer Verbindungen. Teil 1: Retentionsindices aliphatischer Halogenide, Alkohole, Aldehyde und Ketone, Helv. Chim. Acta, 1958, 41, 7, 1915-1932, https://doi.org/10.1002/hlca.19580410703 . [all data]

Shimadzu, 2003
Shimadzu, Gas chromatography analysis of organic solvents using capillary columns (No. 2), 2003, retrieved from http://www.shimadzu.com/apps/form.cfm. [all data]

Helmig, Pollock, et al., 1996
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Shimadzu, 2003, 2
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Dufka, Malinsky, et al., 1971
Dufka, O.; Malinsky, J.; Vladyka, J., Sorpcni materialy pro plynovou chromatographii - III, Chemicky promysl., 1971, 21/46, 9, 459-463. [all data]

Anderson, 1968
Anderson, D.G., USe of Kovats retention indices and response factors for the qualitative and quantitative analysis of coating solvents, J. Paint Technol., 1968, 40, 527, 549-557. [all data]

MHA, 9999
MHA, Directorate of ForensicScience., Forensic Toxicology, 9999. [all data]

Isidorov and Jdanova, 2002
Isidorov, V.; Jdanova, M., Volatile organic compounds from leaves litter, Chemosphere, 2002, 48, 9, 975-979, https://doi.org/10.1016/S0045-6535(02)00074-7 . [all data]

Health Safety Executive, 2000
Health Safety Executive, MDHS 96 Volatile organic compounds in air - Laboratory method using pumed solid sorbent tubes, solvent desorption and gas chromatography in Methods for the Determination of Hazardous Substances (MDHS) guidance, Crown, Colegate, Norwich, 2000, 1-24, retrieved from http://www.hse.gov.uk/pubns/mdhs/pdfs/mdhs96.pdf. [all data]

Huang, Liang, et al., 1996
Huang, C.; Liang, H.; Han, S., The analysis of organic compounds in waste water by gas extraction/thermal desorption/gas chromatography-mass spectrometry, Chin. J. Chromatogr., 1996, 14, 6, 421-424. [all data]

Ciccioli, Cecinato, et al., 1992
Ciccioli, P.; Cecinato, A.; Brancaleoni, E.; Frattoni, M.; Liberti, A., Use of carbon adsorption traps combined with high resolution gas chromatography - mass spectrometry for the analysis of polar and non-polar C4-C14 hydrocarbons involved in photochemical smog formation, J. Hi. Res. Chromatogr., 1992, 15, 2, 75-84, https://doi.org/10.1002/jhrc.1240150205 . [all data]

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Zenkevich, 2001
Zenkevich, I.G., Comparative Characterization of Conditions for Unambuguous Chromatographic Identification of Organic Compounds, Zh. Anal. Khim., 2001, 56, 9, 915-924. [all data]

Flanagan, Streete, et al., 1997
Flanagan, R.J.; Streete, P.J.; Ramsey, J.D., Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56, retrieved from http://www.odccp.org/pdf/technicalseries1997-01-011.pdf. [all data]

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Sorimachi, J.; Tanabe, A.; Mitobe, H.; Kuniaki, K.; Masaaki, S., Programmed temperature retention indices for volatile organic compounds on headspace GC/MS analysis, Niigata-ken Eisei Kogai Kenkyusho Nenpo, 1995, 11, 75-79. [all data]

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Zenkevich, I.G.; Korolenko, L.I.; Khralenkova, N.B., Desorption with solvent vapor as a method of sample preparation in the sorption preconcentration of organic-compounds from the air of a working area and from industrial-waste gases, J. Appl. Chem. USSR (Engl. Transl.), 1995, 50, 10, 937-944. [all data]

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Ciccioli, P.; Brancaleoni, E.; Cecinato, A.; Sparapani, R.; Frattoni, M., Identification and determination of biogenic and anthropogenic volatile organic compounds in forest areas of Northern and Southern Europe and a remote site of the Himalaya region by high-resolution gas chromatography-mass spectrometry, J. Chromatogr., 1993, 643, 1-2, 55-69, https://doi.org/10.1016/0021-9673(93)80541-F . [all data]

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Weller and Wolf, 1989
Weller, J.-P.; Wolf, M., Massenspektroskopie und Headspace-GC, Beitr. Gerichtl. Med., 1989, 47, 525-532. [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]

Ramsey and Flanagan, 1982
Ramsey, J.D.; Flanagan, R.J., Detection and Identification of Volatile Organic Compounds in Blood by Headspace Gas Chromatography as an Aid to the Diagnosis of Solvent Abuse, J. Chromatogr., 1982, 240, 2, 423-444, https://doi.org/10.1016/S0021-9673(00)99622-5 . [all data]

Heydanek and McGorrin, 1981
Heydanek, M.G.; McGorrin, R.J., Gas chromatography-mass spectroscopy investigations on the flavor chemistry of oat groats, J. Agric. Food Chem., 1981, 29, 5, 950-954, https://doi.org/10.1021/jf00107a016 . [all data]

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Shimadzu, Pharmaceutical Related, Analysis of pharmaceutical residual solvent (observation of separation) (1) - GC, 2012, retrieved from www.shimadzu.ru/applications/Applicationspdf/GC/Pharma/Pharmaceutical residual solvents GC.pdf. [all data]

Shimadzu Corporation, 2003
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Soria, Martinez-Castro, et al., 2008
Soria, A.C.; Martinez-Castro, I.; Sanz, J., Some aspects of dynamic headspace analysis of volatile components in honey, Foog Res. International, 2008, 41, 8, 838-848, https://doi.org/10.1016/j.foodres.2008.07.010 . [all data]

MacLeod and Pieris, 1981
MacLeod, A.J.; Pieris, N.M., Volatile flavor components of beli fruit (Aegle marmelos) and a processed product, J. Agric. Food Chem., 1981, 29, 6, 1262-1264, https://doi.org/10.1021/jf00108a040 . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, References