Thiophene

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Condensed 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:
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
Δfliquid  CcbZaheeruddin and Lodhi, 1991uncertain value: 43.728 kcal/mol; Author's hf_SO2=-320.5 kJ/mol; ALS
Δfliquid19.35 ± 0.15kcal/molCcrSunner, 1963Correction of Sunner, 1955; ALS
Δfliquid19.02 ± 0.25kcal/molCcbHubbard, Scott, et al., 1955Reanalyzed by Cox and Pilcher, 1970, Original value = 19.20 ± 0.24 kcal/mol; see Waddington, Knowlton, et al., 1949; ALS
Δfliquid19.44 ± 0.61kcal/molCcbMoore, Renquist, et al., 1940Reanalyzed by Cox and Pilcher, 1970, Original value = 19.54 kcal/mol; hf_H2SO4=-135.01; ALS
Quantity Value Units Method Reference Comment
Δcliquid  CcbZaheeruddin and Lodhi, 1991uncertain value: -633.172 kcal/mol; Author's hf_SO2=-320.5 kJ/mol; ALS
Δcliquid-676.09kcal/molCcrSunner, 1963Correction of Sunner, 1955; ALS
Δcliquid-675.81 ± 0.22kcal/molCcbHubbard, Scott, et al., 1955Reanalyzed by Cox and Pilcher, 1970, Original value = -675.55 ± 0.22 kcal/mol; see Waddington, Knowlton, et al., 1949; ALS
Δcliquid-676.23 ± 0.60kcal/molCcbMoore, Renquist, et al., 1940Reanalyzed by Cox and Pilcher, 1970, Original value = -667.39 ± 0.60 kcal/mol; hf_H2SO4=-135.01; ALS
Quantity Value Units Method Reference Comment
liquid43.31cal/mol*KN/AFiguiere, Szwarc, et al., 1985DH
liquid43.301cal/mol*KN/AWaddington, Knowlton, et al., 1949DH
liquid42.21cal/mol*KN/AJacobs and Parks, 1934Details of extrapolation below 90 K not given. Scatter in data for solid introduce uncertainty. Value good to about 4 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
29.254298.14Figuiere, Szwarc, et al., 1985T = 13 to 300 K. Value is unsmoothed experimental datum.; DH
29.601297.45Waddington, Knowlton, et al., 1949T = 11 to 336 K. Value is unsmoothed experimental datum.; DH
29.450289.3Jacobs and Parks, 1934T = 93 to 294 K. Data for solid, 90 to 237 K, not given (table omitted, apparently). Value is unsmoothed experimental datum.; 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, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil357.3 ± 0.6KAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus234.93KN/AGoates, Ott, et al., 1973Uncertainty assigned by TRC = 0.05 K; TRC
Tfus234.94KN/ATimmermans and Hennaut-Roland, 1959Uncertainty assigned by TRC = 0.1 K; TRC
Tfus233.15KN/ATimmermans and Mattaar, 1921Uncertainty assigned by TRC = 0.4 K; TRC
Quantity Value Units Method Reference Comment
Ttriple235.02KN/AFiguiere, Szwarc, et al., 1985, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.05 K; TRC
Ttriple234.900KN/AWaddington, Knowlton, et al., 1949, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.08 K; TRC
Ttriple234.95KN/AWaddington, Knowlton, et al., 1949, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.06 K; TRC
Ttriple233.7KN/AJacobs and Parks, 1934, 2Uncertainty assigned by TRC = 0.4 K; TRC
Quantity Value Units Method Reference Comment
Tc579.4KN/AMajer and Svoboda, 1985 
Tc579.4KN/ACheng, McCoubrey, et al., 1962Uncertainty assigned by TRC = 0.3 K; Visual (5-cm 2-mm bore tubes) in nitrate-nitrite bath, TE or TH cal. vs NPL thermometer J.C.McCoubrey, A.R.Ubbelohde Trans. Faraday Soc. 1960,56,114; TRC
Tc580.KN/AKobe, Ravicz, et al., 1956Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Pc56.25atmN/AKobe, Ravicz, et al., 1956Uncertainty assigned by TRC = 0.6804 atm; TRC
Quantity Value Units Method Reference Comment
Vc0.220l/molN/AKobe, Ravicz, et al., 1956Uncertainty assigned by TRC = 0.005 l/mol; TRC
Quantity Value Units Method Reference Comment
Δvap8.315kcal/molN/AMajer and Svoboda, 1985 
Δvap8.27kcal/molN/AReid, 1972AC
Δvap8.29 ± 0.008kcal/molVHubbard, Scott, et al., 1955see Waddington, Knowlton, et al., 1949; ALS
Δvap8.46kcal/molN/AHubbard, Scott, et al., 1955DRB

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
7.524357.3N/AMajer and Svoboda, 1985 
8.56282.N/ADykyj, Svoboda, et al., 1999Based on data from 267. to 381. K.; AC
8.32348.IEon, Pommier, et al., 1971Based on data from 333. to 373. K.; AC
8.15315.EBWhite, Barnard--Smith, et al., 1952Based on data from 300. to 366. K.; AC
8.05326.N/AWaddington, Knowlton, et al., 1949Based on data from 311. to 393. K.; AC
8.03 ± 0.02319.CWaddington, Knowlton, et al., 1949AC
7.82 ± 0.02336.CWaddington, Knowlton, et al., 1949AC
7.53 ± 0.02357.CWaddington, Knowlton, et al., 1949AC
7.79353.N/AFawcett and Rasmussen, 1945Based on data from 344. to 363. K.; AC
8.4270.N/AMilazzo, 1944Based on data from 228. to 289. 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
319. to 357.11.850.288579.4Majer 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
333.4 to 373.55.061451790.319-2.805Eon, Pommier, et al., 1971Coefficents calculated by NIST from author's data.
312.21 to 392.944.067871239.578-52.585Waddington, Knowlton, et al., 1949Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Reference Comment
11.2213.Stephenson and Malanowski, 1987Based on data from 195. to 228. K. See also Milazzo, 1956.; AC
12.203.Milazzo, 1944Based on data from 192. to 213. K.; AC

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
1.19235.2Domalski and Hearing, 1996See also Figuiere, Szwarc, et al., 1985.; AC

Temperature of phase transition

Ttrs (K) Initial Phase Final Phase Reference Comment
90.76crystaline, V'crystaline, IV'Figuiere, Szwarc, et al., 1984Metastable transition.; DH
139.2crystaline, IV'crystaline, III'Figuiere, Szwarc, et al., 1984Metastable transition.; DH
112.35crystaline, Vcrystaline, IVFiguiere, Szwarc, et al., 1984DH
138.5crystaline, IVcrystaline, IIIFiguiere, Szwarc, et al., 1984DH
170.70crystaline, IIIcrystaline, IIFiguiere, Szwarc, et al., 1984DH
175.03crystaline, IIcrystaline, IFiguiere, Szwarc, et al., 1984DH
235.03crystaline, IliquidFiguiere, Szwarc, et al., 1984DH
111.3crystaline, Vcrystaline, IVAndre, Dworkin, et al., 1982DH
136.8crystaline, IVcrystaline, IIIAndre, Dworkin, et al., 1982DH
170.5crystaline, IIIcrystaline, IIAndre, Dworkin, et al., 1982DH
174.5crystaline, IIcrystaline, IAndre, Dworkin, et al., 1982DH

Enthalpy of phase transition

ΔHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.10244. to 170.crystaline, Vcrystaline, IIIFiguiere, Szwarc, et al., 1985DH
0.1935170.70crystaline, IIIcrystaline, IIFiguiere, Szwarc, et al., 1985DH
0.438837. to 216.crystaline, II'crystaline, IFiguiere, Szwarc, et al., 1985DH
1.205235.02crystaline, IliquidFiguiere, Szwarc, et al., 1985DH
0.1524171.6crystaline, IIcrystaline, IWaddington, Knowlton, et al., 1949Anomalous heat capacity 100 to 150 K. Apparently two second order transitions at about 112, 138 K, with small energies involved.; DH
1.2156234.95crystaline, IliquidWaddington, Knowlton, et al., 1949DH
0.2890171.1crystaline, IIcrystaline, IJacobs and Parks, 1934DH
1.187233.7crystaline, IliquidJacobs and Parks, 1934DH

Entropy of phase transition

ΔStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
0.9644. to 170.crystaline, Vcrystaline, IIIFiguiere, Szwarc, et al., 1985DH
1.13170.70crystaline, IIIcrystaline, IIFiguiere, Szwarc, et al., 1985DH
3.5937. to 216.crystaline, II'crystaline, IFiguiere, Szwarc, et al., 1985DH
5.122235.02crystaline, IliquidFiguiere, Szwarc, et al., 1985DH
0.889171.6crystaline, IIcrystaline, IWaddington, Knowlton, et al., 1949Anomalous; DH
5.174234.95crystaline, IliquidWaddington, Knowlton, et al., 1949DH
1.7171.1crystaline, IIcrystaline, IJacobs and Parks, 1934DH
5.09233.7crystaline, IliquidJacobs and Parks, 1934DH

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, Condensed 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 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. 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

C4H3S- + Hydrogen cation = Thiophene

By formula: C4H3S- + H+ = C4H4S

Quantity Value Units Method Reference Comment
Δr381.2 ± 3.1kcal/molG+TSDePuy, Kass, et al., 1988gas phase; Between MeOH, EtOH. D exchange implies anion at C-2.; B
Quantity Value Units Method Reference Comment
Δr373.0 ± 3.0kcal/molIMRBDePuy, Kass, et al., 1988gas phase; Between MeOH, EtOH. D exchange implies anion at C-2.; B

C4H4S+ + Thiophene = (C4H4S+ • Thiophene)

By formula: C4H4S+ + C4H4S = (C4H4S+ • C4H4S)

Quantity Value Units Method Reference Comment
Δr16.9kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr23.1cal/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase; M

(C4H4S+ • Thiophene) + Thiophene = (C4H4S+ • 2Thiophene)

By formula: (C4H4S+ • C4H4S) + C4H4S = (C4H4S+ • 2C4H4S)

Quantity Value Units Method Reference Comment
Δr7.5kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; ΔrH<; M

C4H5S+ + Thiophene = (C4H5S+ • Thiophene)

By formula: C4H5S+ + C4H4S = (C4H5S+ • C4H4S)

Quantity Value Units Method Reference Comment
Δr11.5kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; ΔrH<; M

Gas phase ion energetics data

Go To: Top, Condensed 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:
B - John E. Bartmess
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

View reactions leading to C4H4S+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)8.86 ± 0.02eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)194.8kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity187.5kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
8.85PEKlasinc, Sabljic, et al., 1982LBLHLM
8.85PEGalasso, Klasinc, et al., 1981LLK
9.0 ± 0.1CEMSTedder and Vidaud, 1980LLK
8.87 ± 0.01PEButler and Baer, 1980LLK
~8.8EIVan Veen, 1976LLK
8.80 ± 0.05EIThorstad and Undheim, 1974LLK
8.90PEClark, Gleiter, et al., 1973LLK
9.05CTSAloisi and Pignataro, 1973LLK
8.874 ± 0.005SDiLonardo, Galloni, et al., 1972LLK
9.12 ± 0.05EILinda, Marino, et al., 1971LLK
8.87 ± 0.01PEDerrick, Asbrink, et al., 1971LLK
8.86 ± 0.01PIPotapov and Bazhenov, 1970RDSH
8.80 ± 0.05PEBaker, Betteridge, et al., 1970RDSH
8.87 ± 0.05PEEland, 1969RDSH
8.860 ± 0.005PIWatanabe, Nakayama, et al., 1962RDSH
8.95 ± 0.02SPrice and Walsh, 1941RDSH
8.85PEBajic, Humski, et al., 1985Vertical value; LBLHLM
8.90PEBock and Roth, 1983Vertical value; LBLHLM
8.90PEMellink and Janssen, 1978Vertical value; LLK
8.85PEBozic, Humski, et al., 1977Vertical value; LLK
8.87PESchafer, Schweig, et al., 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CHS+13.0 ± 0.2C3H3CEMSTedder and Vidaud, 1980LLK
CHS+13.19 ± 0.04C3H3PEButler and Baer, 1980LLK
CHS+13.0 ± 0.2?EIKhvostenko, 1962RDSH
C2H2S+12.5 ± 0.2C2H2CEMSTedder and Vidaud, 1980LLK
C2H2S+12.1 ± 0.1C2H2PEButler and Baer, 1980LLK
C2H2S+10.8 ± 0.2?EIKhvostenko, 1962RDSH
C3HS+12.95 ± 0.05CH3PEButler and Baer, 1980LLK
C3H3+13.0 ± 0.2CHSCEMSTedder and Vidaud, 1980LLK
C3H3+13.06 ± 0.05CHSPEButler and Baer, 1980LLK
C3H3+12.8 ± 0.2?EIKhvostenko, 1962RDSH
C4H3S+12.93 ± 0.07HPEButler and Baer, 1980LLK
S+20.0 ± 0.5?EIStepanov, Perov, et al., 1988LL

De-protonation reactions

C4H3S- + Hydrogen cation = Thiophene

By formula: C4H3S- + H+ = C4H4S

Quantity Value Units Method Reference Comment
Δr381.2 ± 3.1kcal/molG+TSDePuy, Kass, et al., 1988gas phase; Between MeOH, EtOH. D exchange implies anion at C-2.; B
Quantity Value Units Method Reference Comment
Δr373.0 ± 3.0kcal/molIMRBDePuy, Kass, et al., 1988gas phase; Between MeOH, EtOH. D exchange implies anion at C-2.; B

IR Spectrum

Go To: Top, Condensed 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: Tanya L. Myers, Russell G. Tonkyn, Ashley M. Oeck, Tyler O. Danby, John S. Loring, Matthew S. Taubman, Stephen W. Sharpe, Jerome C. Birnbaum, and Timothy J. Johnson


Mass spectrum (electron ionization)

Go To: Top, Condensed 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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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, 1998.
NIST MS number 291513

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Gas Chromatography

Go To: Top, Condensed 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
PackedApiezon L160.694.Kurbatova, Finkelstein, et al., 2004Chromaton N-AW; Column length: 1. m; Large deviations from similar measurements
CapillaryDB-5100.686.1Miller and Bruno, 200330. m/0.25 mm/0.1 μm
CapillaryDB-5120.700.0Miller and Bruno, 200330. m/0.25 mm/0.1 μm
CapillaryDB-560.674.6Miller and Bruno, 200330. m/0.25 mm/0.1 μm
CapillaryDB-580.679.6Miller and Bruno, 200330. m/0.25 mm/0.1 μm
PackedC78, Branched paraffin130.685.3Dallos, Sisak, et al., 2000He; Column length: 3.3 m
CapillarySPB-1100.668.Misharina, Beletsky, et al., 199460. m/0.32 mm/0.25 μm
CapillarySE-30100.668.Golovnya, Misharina, et al., 199260. m/0.25 mm/0.50 μm, He
CapillaryOV-101100.668.Golovnya, Misharina, et al., 199260. m/0.25 mm/0.50 μm, He
PackedC78, Branched paraffin130.683.0Reddy, Dutoit, et al., 1992Chromosorb G HP; Column length: 3.3 m
PackedApolane130.686.Dutoit, 1991Column length: 3.7 m
PackedApiezon M130.694.Garbuzov, Misharina, et al., 1985He or N2, Chromosorb W, AW-DMCS; Column length: 2.1 m
PackedApiezon M60.675.Mikhailova, Gren, et al., 1985Chromosorb WAW; Column length: 2.1 m
PackedApiezon M130.694.Golovnya, Garbuzov, et al., 1978Chromosorb W, AW/DMS; Column length: 2.1 m
PackedApolane70.664.6Riedo, Fritz, et al., 1976He, Chromosorb; Column length: 2.4 m
CapillarySqualane60.641.Ryba, 1976Column length: 50. m; Column diameter: 0.25 mm
CapillarySqualane60.648.Ryba, 1976Column length: 50. m; Column diameter: 0.25 mm
CapillaryApiezon L120.693.Agr, Tesaric, et al., 1973 
CapillarySqualane120.644.Agr, Tesaric, et al., 1973 
CapillarySqualane86.632.Agr, Tesaric, et al., 1973 
CapillarySqualane120.644.Agrawal, Tesarík, et al., 1972N2, Celite 545; Column length: 50. m; Column diameter: 0.3 mm
CapillarySqualane86.632.Agrawal, Tesarík, et al., 1972N2, Celite 545; Column length: 50. m; Column diameter: 0.3 mm
CapillaryApiezon L120.693.Agrawal, Tesarík, et al., 1972N2; Column length: 100. m; Column diameter: 0.3 mm
PackedDC-200120.670.Reymond, Mueggler-Chavan, et al., 1966Celite; Column length: 4. m
PackedDC-200100.671.Rohrschneider, 1966Column length: 4. m
PackedSqualane100.652.Rohrschneider, 1966Column length: 5. m
PackedApiezon L100.690.Rohrschneider, 1966Column length: 5. m

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedCarbowax 20M160.1054.Kurbatova, Finkelstein, et al., 2004Chromaton N-AW; Column length: 1. m
CapillaryCarbowax 40M100.1039.Golovnya, Misharina, et al., 199250. m/0.32 mm/0.25 μm, He
PackedCarbowax 20M100.1046.Rohrschneider, 1966Column length: 2. m

Kovats' RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-Wax1023.Shimoda and Shibamoto, 1990He, 40. C @ 6. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 190. C

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

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Column type Active phase I Reference Comment
CapillaryDB-5672.Methven L., Tsoukka M., et al., 200760. m/0.32 mm/1. μm, 40. C @ 2. min, 4. K/min, 260. C @ 10. min
CapillaryMega 5MS703.Condurso, Verzera, et al., 200660. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryCP Sil 8 CB673.Elmore, Campo, et al., 200260. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 280. C
CapillaryBPX-5665.Ames, Guy, et al., 200150. m/0.32 mm/0.5 μm, He, 60. C @ 5. min, 4. K/min, 250. C @ 10. min
CapillaryBPX-5665.Ames, Guy, et al., 200150. m/0.32 mm/0.5 μm, He, 60. C @ 5. min, 4. K/min, 250. C @ 10. min
CapillaryDB-1649.Kim, 200160. m/0.32 mm/1. μm, He, 40. C @ 5. min, 2. K/min; Tend: 220. C
CapillaryCP Sil 8 CB671.Elmore, Mottram, et al., 200060. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 280. C
CapillarySPB-1658.Misharina, Beletsky, et al., 199460. m/0.32 mm/0.25 μm, 8. K/min; Tstart: 50. C; Tend: 200. C
CapillaryOV-101668.Misharina, Golovnya, et al., 199350. m/0.32 mm/0.5 μm, He, 4. K/min; Tstart: 50. C; Tend: 200. C
CapillaryOV-101648.Golovnya, Misharina, et al., 199260. m/0.25 mm/0.50 μm, He, 4. K/min; Tstart: 50. C; Tend: 200. C
CapillaryDB-1650.Zhang and Ho, 199160. m/0.25 mm/0.25 μm, He, 2. K/min, 220. C @ 10. min; Tstart: 40. C
CapillaryDB-1646.Zhang and Ho, 198960. m/0.25 mm/0.25 μm, He, 2. K/min, 220. C @ 10. min; Tstart: 40. C
CapillaryDB-1648.Zhang, Chien, et al., 198860. m/0.25 mm/0.25 μm, He, 2. K/min, 220. C @ 10. min; Tstart: 40. C

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

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Column type Active phase I Reference Comment
CapillaryDB-5661.Klesk, Qian, et al., 200430. m/0.32 mm/1. μm, He; Program: 40C (2min) => 5C/min => 100C => 4C/min => 230C (10min)
CapillaryDB-5661.Klesk and Qian, 200330. m/0.25 mm/0.25 μm, He; Program: 40C(2min) => 5C/min => 100C => 4C/min => 230C(10min)
CapillaryCP-Sil 8CB-MS626.Elmore, Mottram, et al., 2000, 260. m/0.25 mm/0.25 μm, He; Program: 0C(5min) => 40C/min => 40C (2min) => 4C/min => 280C
CapillaryDB-5636.Parker, Hassell, et al., 200050. m/0.32 mm/0.5 μm, He; Program: oC(5min) => 60C/min => 60C (5min) => 4C/min => 250C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1017.Kim, 200160. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 200. C @ 30. min
CapillaryDB-Wax1023.Chung, Eiserich, et al., 1994He, 60. C @ 4. min, 3. K/min, 220. C @ 30. min; Column length: 60. m; Column diameter: 0.25 mm
CapillaryCarbowax 40M1028.Golovnya, Misharina, et al., 199250. m/0.32 mm/0.25 μm, He, 4. K/min; Tstart: 50. C; Tend: 200. C

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

View large format table.

Column type Active phase I Reference Comment
CapillarySupelcowax-101022.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)
CapillaryCP-Wax 52CB1028.Condurso, Verzera, et al., 200660. m/0.25 mm/0.25 μm, He; Program: 45C(5min) => 10C/min => 80C => 2C/min => 240C
CapillaryStabilwax1034.Klesk, Qian, et al., 200430. m/0.32 mm/1. μm, He; Program: 40C (2min) => 5C/min => 100C => 4C/min => 230C (10min)
CapillaryStabilwax1030.Klesk and Qian, 200330. m/0.32 mm/1. μm, He; Program: 40C(2min) => 5C/min => 100C => 4C/min => 230C(10min)

Normal alkane RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryPolydimethyl siloxane with 5 % Ph groups100.686.Safa and Hadjmohannadi, 200530. m/0.25 mm/0.10 μm, Nitrogen
CapillaryPolydimethyl siloxane with 5 % Ph groups60.675.Safa and Hadjmohannadi, 200530. m/0.25 mm/0.10 μm, Nitrogen
CapillaryPolydimethyl siloxane with 5 % Ph groups80.680.Safa and Hadjmohannadi, 200530. m/0.25 mm/0.10 μm, Nitrogen
PackedApiezon L100.693.Kavan, 1973Column length: 3.2 m
PackedPolydimethyl siloxane110.655.Ferrand, 1962 

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryPONA648.Yang, Wang, et al., 200450. m/0.20 mm/0.50 μm, N2, 2. K/min; Tstart: 35. C; Tend: 170. C
CapillaryPONA646.Yang, Wang, et al., 200350. m/0.20 mm/0.50 μm, 2. K/min; Tstart: 30. C; Tend: 150. C
CapillaryPONA647.Yang, Yang, et al., 200350. m/0.20 mm/0.50 μm, Helium, 2. K/min; Tstart: 30. C; Tend: 170. C
CapillaryMethyl Silicone643.23Baraldi, Rapparini, et al., 199960. m/0.25 mm/0.25 μm, 40. C @ 10. min, 5. K/min; Tend: 220. C
CapillaryDB-1685.Tai and Ho, 199860. m/0.32 mm/1.0 μm, He, 2. K/min; Tstart: 40. C; Tend: 280. C
CapillaryOV-101650.Egolf and Jurs, 19932. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C
CapillaryDB-5677.Macku and Shibamoto, 1991He, 40. C @ 5. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 160. C
CapillaryCP-Sil 5644.Damste, van Dalen, et al., 198825. m/0.32 mm/0.45 μm, Helium, 0. C @ 5. min, 3. K/min; Tend: 300. C
CapillaryCP-Sil 5645.Damste, van Dalen, et al., 198825. m/0.32 mm/0.45 μm, Helium, 0. C @ 5. min, 3. K/min; Tend: 300. C
CapillaryCP Sil 5 CB644.Damste, Kock-van Dalen, et al., 198825. m/0.32 mm/0.45 μm, He, 3. K/min; Tstart: 50. C; Tend: 300. C
CapillaryCP Sil 5 CB645.Damste, Kock-van Dalen, et al., 198825. m/0.32 mm/0.45 μm, He, 3. K/min; Tstart: 50. C; Tend: 300. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5665.Rotsatschakul, Visesanguan, et al., 200960. m/0.25 mm/0.25 μm, Helium; Program: 30 0C (2 min) 2 0Cmin -> 60 0C 10 0C/min -> 100 0C 20 0C/min -> 140 0C 10 0C/min -> 200 0C (10 min)
CapillarySE-30650.Vinogradov, 2004Program: not specified
CapillarySPB-5665.Begnaud, Pérès, et al., 200360. m/0.32 mm/1. μm; Program: not specified
CapillaryBPX-5667.Machiels, van Ruth, et al., 200360. m/0.32 mm/1. μm, He; Program: 40C (4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250 C (10min)
CapillaryPONA647.Yang, Wang, et al., 200350. m/0.20 mm/0.50 μm; Program: not specified
CapillaryApiezon L694.Finkelstein, Kurbatova, et al., 2002Program: not specified
CapillaryDB-5 MS680.Luo and Agnew, 200130. m/0.25 mm/1.0 μm, Helium; Program: not specified
CapillarySPB-1651.Nedjma and Maujean, 199530. m/0.32 mm/4. μm, H2; Program: 35(1)-10 -> 55-25 ->250
CapillaryMethyl Silicone653.Zenkevich and Kuznetsova, 1990Program: not specified
CapillarySE-30665.P'yanova, Zvereva, et al., 1987Column length: 25. m; Column diameter: 0.25 mm; Program: not specified
CapillaryOV-101650.Shibamoto, 1987Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.647.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
PackedApiezon M700.Golovnya, Misharina, et al., 1983N2, Chromosorb W AW/DMCS; Column length: 5.6 m; Program: 60C(7min), 100C(7min), 150C isothermal

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-Innowax1010.Puvipirom and Chaisei, 201215. m/0.32 mm/0.50 μm, Helium, 3. K/min; Tstart: 40. C; Tend: 250. C
CapillaryFFAP1024.Budryn, Nebesny, et al., 201130. m/0.32 mm/0.50 μm, Nitrogen, 35. C @ 5. min, 4. K/min, 250. C @ 45. min
CapillaryFFAP1024.Nebesny, Budryn, et al., 200730. m/0.32 mm/0.5 μm, N2, 35. C @ 5. min, 4. K/min, 320. C @ 45. min
CapillaryTC-Wax1026.Ishikawa, Ito, et al., 200460. m/0.25 mm/0.5 μm, He, 40. C @ 8. min, 3. K/min; Tend: 230. C
CapillaryHP-Wax1021.Sanz, Maeztu, et al., 200260. m/0.25 mm/0.5 μm, He, 40. C @ 6. min, 3. K/min; Tend: 190. C
CapillaryHP-Wax1021.Maeztu, Sanz, et al., 200160. m/0.25 mm/0.5 μm, He, 40. C @ 6. min, 3. K/min; Tend: 190. C
CapillaryHP-Wax1021.Sanz, Ansorena, et al., 200160. m/0.25 mm/0.5 μm, He, 40. C @ 6. min, 3. K/min; Tend: 190. C
CapillaryDB-Wax1041.Schlüter, Steinhart, et al., 199960. m/0.32 mm/0.5 μm, He, 34. C @ 3. min, 5. K/min, 200. C @ 10. min
CapillaryDB-Wax995.Schlüter, Steinhart, et al., 199960. m/0.32 mm/0.25 μm, He, 34. C @ 3. min, 5. K/min, 200. C @ 10. min
CapillaryDB-Wax1022.Umano, Hagi, et al., 1995He, 40. C @ 2. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C
CapillaryCarbowax 20M1035.Egolf and Jurs, 19932. K/min; Column length: 80. m; Column diameter: 0.2 mm; Tstart: 70. C; Tend: 170. C
CapillaryCarbowax 20M1032.Shibamoto and Russell, 19771. K/min; Column length: 100. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 170. C
CapillaryCarbowax 20M1034.Shibamoto and Russell, 19771. K/min; Column length: 100. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 170. C
CapillaryCarbowax 20M1032.Shibamoto and Russell, 1976N2, 1. K/min; Column length: 100. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 170. C
CapillaryCarbowax 20M1035.Shibamoto and Russell, 1976N2, 1. K/min; Column length: 100. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 170. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryCarbowax 20M1035.Vinogradov, 2004Program: not specified
CapillaryCarbowax 20M1054.Finkelstein, Kurbatova, et al., 2002Program: not specified
CapillaryDB-Wax1022.Peng, Yang, et al., 1991Program: not specified
CapillaryDB-Wax1025.Peng, Yang, et al., 1991Program: not specified
CapillaryCarbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.1018.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

References

Go To: Top, Condensed 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.

Zaheeruddin and Lodhi, 1991
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Moore, Renquist, et al., 1940
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Figuiere, Szwarc, et al., 1985
Figuiere, P.; Szwarc, H.; Oguni, M.; Suga, H., Calorimetric study of thiophene from 13 to 300 K. Emergence of two glassy crystalline states, J. Chem. Thermodynam., 1985, 17, 949-966. [all data]

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Waddington, Knowlton, et al., 1949, 2
Waddington, G.; Knowlton, J.W.; Scott, D.W.; Oliver, G.D.; Todd, S.S.; Hubbard, W.N.; Smith, J.C.; Huffman, H.M., Thermodynamic Properties of Thiophene, J. Am. Chem. Soc., 1949, 71, 797. [all data]

Jacobs and Parks, 1934, 2
Jacobs, C.J.; Parks, G.S., Thermal data on organic compounds. XIV. Some heat capacity, entropy and free energy data for cyclic substances, J. Am. Chem. Soc., 1934, 56, 1513-17. [all data]

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Milazzo, 1956
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Andre, Dworkin, et al., 1982
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Hiraoka, Takimoto, et al., 1987
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Hunter and Lias, 1998
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Bozic, Z.; Humski, K.; Cvitas, T.; Klasinc, L., Photoelectron spectra of bromo- and iodo- thiophens, J. Chem. Soc. Perkin Trans. 2, 1977, 1413. [all data]

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Khvostenko, V.I., Ionisation of thiophen and some of its derivatives by electron impact, Zh. Fiz. Khim., 1962, 36, 384, In original 197. [all data]

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Kurbatova, Finkelstein, et al., 2004
Kurbatova, S.V.; Finkelstein, E.E.; Kolosova, E.A.; Kartashev, A.V.; Rashkin, S.V., Structural analogy method in studies of adamantanes, J. Struct. Chem., 2004, 45, 1, 144-150, https://doi.org/10.1023/B:JORY.0000041513.82837.4e . [all data]

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Miller, K.E.; Bruno, T.J., Isothermal Kováts retention indices of sulfur compounds on a poly(5% diphenyl-95% dimethylsiloxane) stationary phase, J. Chromatogr. A, 2003, 1007, 1-2, 117-125, https://doi.org/10.1016/S0021-9673(03)00958-0 . [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]

Misharina, Beletsky, et al., 1994
Misharina, T.A.; Beletsky, I.V.; Golovnya, R.V., Chromatographic and IR characteristics of methyl-, formyl-, and acetyl-substituted furans and thiophenes, Russ. Chem. Bull. (Engl. Transl.), 1994, 43, 1, 64-69, https://doi.org/10.1007/BF00699137 . [all data]

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Golovnya, R.V.; Misharina, T.A.; Beletskiy, I.V., Influence of methyl, formyl and acetyl groups on retention of substituted furans and thiophenes in capillary GC, Chromatographia, 1992, 34, 9/10, 497-501, https://doi.org/10.1007/BF02290243 . [all data]

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]

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Notes

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