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Cyclopentane, methyl-

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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
Deltafgas-106.0kJ/molN/AGood and Smith, 1969Value computed using «DELTA»fHliquid° value of -137.7±0.7 kj/mol from Good and Smith, 1969 and «DELTA»vapH° value of 31.7 kj/mol from Prosen, Johnson, et al., 1946.; DRB
Deltafgas-106.7 ± 0.84kJ/molCcbProsen, Johnson, et al., 1946ALS
Deltafgas-108.1kJ/molN/AMoore, Renquist, et al., 1940Value computed using «DELTA»fHliquid° value of -139.8±1.7 kj/mol from Moore, Renquist, et al., 1940 and «DELTA»vapH° value of 31.7 kj/mol from Prosen, Johnson, et al., 1946.; DRB

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
43.3150.Thermodynamics Research Center, 1997p=1 bar. Selected values of S(T) and Cp(T) are in close agreement with those calculated by [ Scott D.W., 1960] at low temperatures. Discrepancies increase up to 1.8 J/mol*K at 1000-1500 K.; GT
53.01100.
62.63150.
74.75200.
99.62273.15
109.5298.15
110.3300.
151.5400.
188.9500.
220.3600.
246.6700.
268.6800.
287.4900.
303.41000.
317.11100.
328.91200.
339.01300.
347.81400.
355.41500.
370.41750.
381.12000.
389.12250.
395.12500.
399.72750.
403.33000.

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
124.24 ± 0.25333.20McCullough J.P., 1959GT
136.21 ± 0.27362.55
152.15 ± 0.30402.35
165.21 ± 0.33436.25
178.17 ± 0.36471.05

Condensed phase thermochemistry data

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

Data compiled 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
Deltafliquid-137.7 ± 0.71kJ/molCcbGood and Smith, 1969ALS
Deltafliquid-138.4 ± 0.84kJ/molCcbProsen, Johnson, et al., 1946ALS
Deltafliquid-139.8 ± 1.7kJ/molCcbMoore, Renquist, et al., 1940Reanalyzed by Cox and Pilcher, 1970, Original value = -141.1 kJ/mol; see Moore and Parks, 1939; ALS
Quantity Value Units Method Reference Comment
Deltacliquid-3938.3 ± 0.59kJ/molCcbGood and Smith, 1969Corresponding «DELTA»fliquid = -137.7 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-3937.7 ± 0.75kJ/molCcbProsen, Johnson, et al., 1946Corresponding «DELTA»fliquid = -138.3 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-3936.2 ± 1.7kJ/molCcbMoore, Renquist, et al., 1940Reanalyzed by Cox and Pilcher, 1970, Original value = -3934.5 ± 1.7 kJ/mol; see Moore and Parks, 1939; Corresponding «DELTA»fliquid = -139.8 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-3956.kJ/molCcbZubova, 1901Corresponding «DELTA»fliquid = -120. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid247.78J/mol*KN/ADouslin and Huffman, 1946DH
liquid247.7J/mol*KN/AHuffman, Parks, et al., 1931Extrapolation below 90 K, 57.86 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
157.66293.15Siddiqi, Svejda, et al., 1983DH
159.12299.8Connolly, Sage, et al., 1951T = 80 to 200°F.; DH
158.70298.15Douslin and Huffman, 1946T = 12 to 300 K.; DH
157.3295.7Huffman, Parks, et al., 1931T = 92 to 294 K. 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, Kenneth Kroenlein 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
Tboil345.0 ± 0.2KAVGN/AAverage of 35 out of 41 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus131. ± 1.KAVGN/AAverage of 30 out of 35 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple130.5 ± 0.6KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Tc532.7 ± 0.2KN/ADaubert, 1996 
Tc532.7KN/AMajer and Svoboda, 1985 
Tc532.73KN/AKudchadker, Alani, et al., 1968Uncertainty assigned by TRC = 0.3 K; TRC
Tc532.7KN/AAmbrose, Cox, et al., 1960Uncertainty assigned by TRC = 0.2 K; Vis, PRT, IPTS-48; TRC
Tc532.76KN/AKay, 1947Uncertainty assigned by TRC = 0.05 K; TRC
Quantity Value Units Method Reference Comment
Pc37.9 ± 0.4barN/ADaubert, 1996 
Pc37.84barN/AKudchadker, Alani, et al., 1968Uncertainty assigned by TRC = 0.4053 bar; TRC
Pc37.8591barN/AKay, 1947Uncertainty assigned by TRC = 0.0506 bar; TRC
Quantity Value Units Method Reference Comment
Vc0.318l/molN/ADaubert, 1996 
Quantity Value Units Method Reference Comment
rhoc3.14 ± 0.04mol/lN/ADaubert, 1996 
rhoc3.137mol/lN/AKudchadker, Alani, et al., 1968Uncertainty assigned by TRC = 0.05 mol/l; TRC
rhoc3.14mol/lN/AKay, 1947Uncertainty assigned by TRC = 0.02 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap31.7 ± 0.1kJ/molAVGN/AAverage of 6 values; Individual data points

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
29.08345.N/AMajer and Svoboda, 1985 
31.4315.N/ASapei, Uusi-Kyyny, et al., 2010Based on data from 300. - 345. K.; AC
31.9303.A,MMStephenson and Malanowski, 1987Based on data from 288. - 346. K. See also Willingham, Taylor, et al., 1945.; AC
31.33 ± 0.02304.VMcCullough, Pennington, et al., 1959ALS
31.3 ± 0.1304.CMcCullough, Pennington, et al., 1959AC
30.2 ± 0.1326.CMcCullough, Pennington, et al., 1959AC
29.1 ± 0.1345.CMcCullough, Pennington, et al., 1959AC

Enthalpy of vaporization

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

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Temperature (K) A (kJ/mol) beta Tc (K) Reference Comment
298. - 345.45.980.271532.7Majer and Svoboda, 1985 

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
288.18 - 345.783.987731186.059-47.108Williamham, Taylor, et al., 1945

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
6.9287130.73Douslin and Huffman, 1946DH
6.93130.7Domalski and Hearing, 1996AC
6.883130.1Huffman, Parks, et al., 1931DH

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
53.00130.73Douslin and Huffman, 1946DH
52.9130.1Huffman, Parks, et al., 1931DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

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

Data compiled 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

Hydrogen + Cyclopentene, 1-methyl- = Cyclopentane, methyl-

By formula: H2 + C6H10 = C6H12

Quantity Value Units Method Reference Comment
Deltar-100.8 ± 0.63kJ/molChydRogers, Crooks, et al., 1987liquid phase
Deltar-101.3 ± 0.50kJ/molChydAllinger, Dodziuk, et al., 1982liquid phase; solvent: Hexane
Deltar-96.3 ± 0.2kJ/molChydTurner and Garner, 1958liquid phase; solvent: Acetic acid
Deltar-96.3 ± 0.2kJ/molChydTurner and Garner, 1957liquid phase; solvent: Acetic acid
Deltar-96.3 ± 0.2kJ/molChydTurner and Garner, 1957, 2liquid phase; solvent: Acetic acid

Hydrogen + Cyclopentane, methylene- = Cyclopentane, methyl-

By formula: H2 + C6H10 = C6H12

Quantity Value Units Method Reference Comment
Deltar-115.9 ± 0.96kJ/molChydAllinger, Dodziuk, et al., 1982liquid phase; solvent: Hexane
Deltar-112.5 ± 0.08kJ/molChydTurner and Garner, 1958liquid phase; solvent: Acetic acid
Deltar-112.3 ± 0.2kJ/molChydTurner and Garner, 1957liquid phase; solvent: Acetic acid
Deltar-112.2 ± 0.3kJ/molChydTurner and Garner, 1957, 2liquid phase; solvent: Acetic acid

Cyclopentene, 3-methyl- + Hydrogen = Cyclopentane, methyl-

By formula: C6H10 + H2 = C6H12

Quantity Value Units Method Reference Comment
Deltar-115.4 ± 0.75kJ/molChydAllinger, Dodziuk, et al., 1982liquid phase; solvent: Hexane

Cyclopentane, methyl- = Cyclohexane

By formula: C6H12 = C6H12

Quantity Value Units Method Reference Comment
Deltar-14.69kJ/molEqkGlasebrook and Lovell, 1939liquid phase; Heat of isomerization

2Hydrogen + Bicyclo(3.1.0)hex-2-ene = Cyclopentane, methyl-

By formula: 2H2 + C6H8 = C6H12

Quantity Value Units Method Reference Comment
Deltar-264. ± 0.8kJ/molChydRoth, Adamczak, et al., 1991liquid phase

3Hydrogen + Fulvene = Cyclopentane, methyl-

By formula: 3H2 + C6H6 = C6H12

Quantity Value Units Method Reference Comment
Deltar-330. ± 0.4kJ/molChydRoth, Adamczak, et al., 1991liquid phase

2Hydrogen + 3-Methylenecyclopentene = Cyclopentane, methyl-

By formula: 2H2 + C6H8 = C6H12

Quantity Value Units Method Reference Comment
Deltar-221. ± 0.8kJ/molChydRoth, Adamczak, et al., 1991liquid phase

Cyclohexane = Cyclopentane, methyl-

By formula: C6H12 = C6H12

Quantity Value Units Method Reference Comment
Deltar18.1 ± 1.2kJ/molEqkKabo and Andreevskii, 1973liquid phase

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 Comment
0.0028 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.0028 LN/A 
0.0028 VN/A 

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law 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 evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
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 C6H12+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)9.7 ± 0.1eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
9.62 ± 0.05EIHolmes and Lossing, 1991LL
9.85EQLias, Ausloos, et al., 1976LLK
10.42EILossing and Traeger, 1975LLK
10.34 ± 0.04PERang, Paldoia, et al., 1974LLK
10.45EIPottie, Harrison, et al., 1961RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C5H9+10.42CH3EILossing and Traeger, 1975, 2LLK
C5H9+10.73CH3EILossing and Traeger, 1975LLK
C5H9+10.95CH3EIPottie, Harrison, et al., 1961RDSH

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)

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

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

Spectrum

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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 Japan AIST/NIMC Database- Spectrum MS-NW-1064
NIST MS number 227793

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Gas Chromatography

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

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

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedPMS-100090.648.Arutyunov, Kudryashov, et al., 2004N2, Chromaton N-AW-DMCS; Column length: 2. m
CapillaryOV-10140.625.4Chen, Liang, et al., 2001He; Column length: 50. m; Column diameter: 0.25 mm
CapillaryOV-10160.629.1Chen, Liang, et al., 2001He; Column length: 50. m; Column diameter: 0.25 mm
CapillaryOV-1010.619.Skrbic, 1997 
CapillaryOV-1010.620.Skrbic, 1997 
CapillaryCP Sil 260.635.1Estel, Mohnke, et al., 1995100. m/0.25 mm/0.25 «mu»m
CapillaryOV-101150.648.4Cha and Lee, 1994Column length: 20. m; Column diameter: 0.5 mm
CapillaryOV-101180.656.3Cha and Lee, 1994Column length: 20. m; Column diameter: 0.5 mm
CapillarySqualane25.625.Hilal, Carreira, et al., 1994 
CapillaryDB-160.630.4Krupcik, Skacani, et al., 1994H2; Phase thickness: 0.25 «mu»m
CapillaryPONA60.630.5Krupcik, Skacani, et al., 1994H2; Phase thickness: 0.5 «mu»m
CapillaryPONA60.630.6Krupcik, Skacani, et al., 1994H2; Phase thickness: 0.5 «mu»m
CapillaryDB-160.630.8Krupcik, Skacani, et al., 1994H2; Phase thickness: 1. «mu»m
CapillaryOV-10160.630.7Krupcik, Skacani, et al., 1994H2; Phase thickness: 0.2 «mu»m
CapillaryBP-10.619.Skrbic and Cvejanov, 199215. m/0.53 mm/1.0 «mu»m, N2
CapillaryOV-145.628.2Guan, Kiraly, et al., 198920. m/0.32 mm/1.2 «mu»m, He
CapillaryOV-165.631.3Guan, Kiraly, et al., 198920. m/0.32 mm/1.2 «mu»m, He
CapillaryOV-145.628.2Guan, Kiraly, et al., 198925. m/0.31 mm/0.52 «mu»m, He
CapillaryOV-165.631.1Guan, Kiraly, et al., 198925. m/0.31 mm/0.52 «mu»m, He
CapillarySqualane50.627.9Guan, Kiraly, et al., 198950. m/0.22 mm/0.21 «mu»m, He
CapillarySqualane70.630.9Guan, Kiraly, et al., 198950. m/0.22 mm/0.21 «mu»m, He
CapillarySE-5445.632.3Guan, Kiraly, et al., 198925. m/0.31 mm/0.52 «mu»m, He
CapillarySE-5465.635.8Guan, Kiraly, et al., 198925. m/0.31 mm/0.52 «mu»m, He
CapillaryHP-160.630.Bangjie, Yijian, et al., 1988N2; Column length: 25. m; Column diameter: 0.20 mm
CapillaryHP-160.631.Bangjie, Yijian, et al., 1988N2; Column length: 25. m; Column diameter: 0.20 mm
CapillaryOV-10140.626.Laub and Purnell, 1988 
CapillaryOV-10160.629.Laub and Purnell, 1988 
CapillaryOV-10180.632.Laub and Purnell, 1988 
CapillarySqualane50.627.4Lunskii and Paizanskaya, 1988He; Column length: 50. m; Column diameter: 0.22 mm
CapillarySqualane70.631.Lunskii and Paizanskaya, 1988He; Column length: 50. m; Column diameter: 0.22 mm
CapillaryBP-1100.658.Bermejo, Blanco, et al., 1987N2; Column length: 12. m; Column diameter: 0.22 mm
CapillaryBP-180.654.Bermejo, Blanco, et al., 1987N2; Column length: 12. m; Column diameter: 0.22 mm
CapillaryOV-101100.654.Bermejo, Blanco, et al., 1987N2; Column length: 25. m; Column diameter: 0.23 mm
CapillaryOV-10180.654.Bermejo, Blanco, et al., 1987N2; Column length: 25. m; Column diameter: 0.23 mm
CapillaryOV-10140.626.6Boneva and Dimov, 1986100. m/0.27 mm/0.9 «mu»m
CapillaryOV-10150.628.4Boneva and Dimov, 1986100. m/0.27 mm/0.9 «mu»m
CapillaryOV-10160.630.1Boneva and Dimov, 1986100. m/0.27 mm/0.9 «mu»m
CapillaryOV-10170.631.5Boneva and Dimov, 1986100. m/0.27 mm/0.9 «mu»m
CapillaryOV-1100.638.1Anders, Anders, et al., 198555. m/0.21 mm/0.35 «mu»m, N2
CapillaryOV-10130.624.Chien, Furio, et al., 1983 
CapillaryOV-10140.626.Chien, Furio, et al., 1983 
CapillaryOV-10150.627.Chien, Furio, et al., 1983 
CapillaryOV-10160.629.Chien, Furio, et al., 1983 
CapillaryOV-10170.631.Chien, Furio, et al., 1983 
CapillaryOV-10180.633.Chien, Furio, et al., 1983 
CapillaryDB-160.630.4Lubeck and Sutton, 1983Column length: 60. m; Column diameter: 0.264 mm
CapillaryDB-160.630.8Lubeck and Sutton, 198360. m/0.259 mm/1. «mu»m
CapillaryOV-150.628.Anders, Scheller, et al., 1982Column length: 55. m; Column diameter: 0.21 mm
CapillarySE-3080.634.Bredael, 1982Column length: 100. m; Column diameter: 0.5 mm
CapillaryOV-10150.628.Johansen and Ettre, 1982100. m/0.27 mm/0.20 «mu»m
CapillaryOV-10150.628.Johansen and Ettre, 198255. m/0.27 mm/0.9 «mu»m
CapillarySF-9650.628.Johansen and Ettre, 198291.4 m/0.31 mm/0.20 «mu»m
CapillaryOV-160.626.Nijs and Jacobs, 1981He; Column length: 150. m; Column diameter: 0.50 mm
PackedSqualane100.631.Nabivach and Kirilenko, 1980He, Chromaton N-AW-HMDS; Column length: 1. m
CapillarySqualane50.627.8Bajus, Veselý, et al., 1979Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane86.634.1Nabivach and Kirilenko, 1979N2; Column length: 50. m
CapillarySqualane100.636.Rang, Orav, et al., 1977Nitrogen or helium; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane100.629.Lulova, Leont'eva, et al., 1976He; Column length: 120. m; Column diameter: 0.25 mm
CapillarySqualane100.635.5Lulova, Leont'eva, et al., 1976He; Column length: 120. m; Column diameter: 0.25 mm
CapillarySqualane100.635.5Lulova, Leont'eva, et al., 1976He; Column length: 120. m; Column diameter: 0.25 mm
CapillarySqualane100.636.Dielmann, Schwengers, et al., 1974Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane60.629.Dielmann, Schwengers, et al., 1974Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane80.633.Dielmann, Schwengers, et al., 1974Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane50.628.Rijks and Cramers, 1974N2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.631.Rijks and Cramers, 1974N2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane120.651.Agrawal, Tesarík, et al., 1972N2, Celite 545; Column length: 50. m; Column diameter: 0.3 mm
CapillarySqualane86.647.Agrawal, Tesarík, et al., 1972N2, Celite 545; Column length: 50. m; Column diameter: 0.3 mm
CapillaryVacuum Grease Oil (VM-4)35.629.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)45.631.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)50.632.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)58.633.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)68.635.Sidorov, Petrova, et al., 1972 
PackedSqualane50.629.0Takács, Tálas, et al., 1972N2, Chromosorb W; Column length: 3. m
CapillarySqualane70.628.6Dimov and Schopov, 1971Column length: 100. m; Column diameter: 0.25 mm
PackedSE-3075.633.Robinson and Odell, 1971N2, Chromosorb W; Column length: 6.1 m
PackedSqualane100.635.Robinson and Odell, 1971N2, Embacel; Column length: 3.0 m
PackedVacuum Grease Oil (VM-4)35.629.Sidorov, Ivanova, et al., 1971 
CapillarySqualane70.631.Cramers, Rijks, et al., 1970Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.631.Cramers, Rijks, et al., 1970Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.631.Cramers, Rijks, et al., 1970Column length: 100. m; Column diameter: 0.25 mm
PackedSE-30130.634.Mitra and Saha, 1970N2, Chromosorb W; Column length: 6.1 m
PackedSqualane27.624.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane49.629.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane67.632.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane86.635.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane22.623.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane30.624.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane40.626.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane55.630.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane70.631.Evans, 1966Untreated celite; Column length: 1.8 m
CapillarySqualane50.633.Schomburg, 1966 
CapillarySqualane80.635.Schomburg, 1966 
PackedMethyl Silicone130.630.Antheaume and Guiochon, 1965 
PackedApiezon L130.651.Wehrli and Kováts, 1959Celite; Column length: 2.25 m
PackedApiezon L70.635.Wehrli and Kováts, 1959Celite; Column length: 2.25 m

Kovats' RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryOV-101620.Hayes and Pitzer, 1982110. m/0.25 mm/0.20 «mu»m, He, 1. K/min; Tstart: 35. C; Tend: 200. C
CapillaryApiezon L634.Louis, 1971N2, 1. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 60. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryPetrocol DH-100625.6Haagen-Smit Laboratory, 1997He; Column length: 100. m; Column diameter: 0.2 mm; Program: 5C(10min) => 5C/min => 50C(48min) => 1.5C/min => 195C(91min)
CapillaryDB-1625.Hoekman, 199360. m/0.32 mm/1.0 «mu»m, He; Program: -40 C for 12 min; -40 - 125 C at 3 deg.min; 125-185 C at 6 deg/min; 185 - 220 C at 20 deg/min; hold 220 C for 2 min

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

View large format table.

Column type Active phase I Reference Comment
CapillarySPB-5629.Engel and Ratel, 200760. m/0.32 mm/1. «mu»m, 40. C @ 2. min, 3. K/min, 230. C @ 10. min
CapillaryPetrocol DH623.8Censullo, Jones, et al., 200350. m/0.25 mm/0.5 «mu»m, He, 35. C @ 10. min, 3. K/min, 200. C @ 10. min
CapillarySPB-1618.00LECO Corporation, 200330. m/0.25 mm/0.25 «mu»m, 40. C @ 2. min, 10. K/min, 250. C @ 2. min
CapillarySPB-1618.70LECO Corporation, 200330. m/0.25 mm/0.25 «mu»m, 40. C @ 2. min, 10. K/min, 250. C @ 2. min
CapillaryDB-5627.3Xu, van Stee, et al., 200330. m/0.25 mm/1. «mu»m, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C
CapillaryOV-101623.0Yin, Liu, et al., 2001N2, 1. K/min; Column length: 80. m; Column diameter: 0.22 mm; Tstart: 30. C; Tend: 130. C
CapillaryPetrocol DH620.72Subramaniam, Bochniak, et al., 1994100. m/0.25 mm/0.5 «mu»m, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryPetrocol DH620.72Subramaniam, Bochniak, et al., 1994100. m/0.25 mm/0.5 «mu»m, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryUltra-1621.Olson, Sinkevitch, et al., 19924. K/min; Tstart: -40. C; Tend: 230. C
CapillaryPetrocol DH620.67White, Douglas, et al., 1992100. m/0.25 mm/0.5 «mu»m, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryPetrocol DH620.81White, Douglas, et al., 1992100. m/0.25 mm/0.5 «mu»m, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryPetrocol DH621.White, Hackett, et al., 1992100. m/0.25 mm/0.5 «mu»m, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryHP-1627.5Bangjie, Xijian, et al., 1987N2, 10. K/min; Column length: 25. m; Column diameter: 0.2 mm; Tstart: 30. C
CapillaryHP-1625.8Bangjie, Xijian, et al., 1987N2, 2. K/min; Column length: 25. m; Column diameter: 0.2 mm; Tstart: 30. C
CapillaryHP-1625.4Bangjie, Xijian, et al., 1987N2, 30. C @ 5. min, 5. K/min; Column length: 25. m; Column diameter: 0.2 mm
CapillaryOV-101620.Hayes and Pitzer, 1981108. m/0.25 mm/0.2 «mu»m, 1. K/min; Tstart: 35. C; Tend: 200. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryCP Sil 8 CB625.Duckham, Dodson, et al., 200160. m/0.25 mm/0.25 «mu»m; Program: 0C => rapidly => 40C(8min) => 4C/min => 250C(10min)

Normal alkane RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillarySE-5450.633.Xieyun, Maoqi, et al., 1996N2; Column length: 40. m; Column diameter: 0.25 mm
CapillaryMethyl Silicone50.628.N/AN2; Column length: 74.6 m; Column diameter: 0.28 mm
CapillaryOV-10150.628.Wu and Lu, 1984 
CapillaryOV-10170.631.Wu and Lu, 1984 
PackedSynachrom150.600.Dufka, Malinsky, et al., 1971Helium, Synachrom (60-80 mesh); Column length: 1.5 m
PackedSynachrom150.604.Dufka, Malinsky, et al., 1971Helium, Synachrom (60-80 mesh); Column length: 1.5 m
CapillarySqualane86.624.Vigdergauz and Martynov, 1971He; Column length: 150. m; Column diameter: 0.35 mm

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxane: CP-Sil 5 CB625.Bramston-Cook, 201360. m/0.25 mm/1.0 «mu»m, Helium, 45. C @ 1.45 min, 3.6 K/min, 210. C @ 2.72 min
CapillaryPetrocol DH621.Supelco, 2012100. m/0.25 mm/0.50 «mu»m, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min
CapillaryPONA624.Zhang, Ding, et al., 200950. m/0.20 mm/0.50 «mu»m, Nitrogen, 35. C @ 15. min, 2. K/min, 200. C @ 10. min
Capillary5 % Phenyl methyl siloxane635.Ramírez, Estévez, et al., 20040. m/0.25 mm/1. «mu»m, He, 40. C @ 10. min, 7. K/min, 250. C @ 5. min
CapillaryBP-1627.Health Safety Executive, 200050. m/0.22 mm/0.75 «mu»m, He, 5. K/min; Tstart: 50. C; Tend: 200. C
CapillaryOV-101626.Orav, Kailas, et al., 199950. m/0.20 mm/0.50 «mu»m, Helium, 30. C @ 6. min, 1. K/min; Tend: 100. C
CapillarySE-54622.Guan, Li, et al., 199560. C @ 2. min, 4. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tend: 200. C
CapillaryDB-1626.Ciccioli, Cecinato, et al., 199260. m/0.32 mm/1.2 «mu»m, He, 30. C @ 10. min, 3. K/min; Tend: 240. C
CapillaryDB-5635.Macku and Shibamoto, 1991He, 40. C @ 5. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 160. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5623.Rotsatschakul, Visesanguan, et al., 200960. m/0.25 mm/0.25 «mu»m, 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)
CapillarySqualane634.Chen, 2008Program: not specified
CapillarySqualane625.Chen, 2008Program: not specified
CapillarySqualane651.Chen, 2008Program: not specified
CapillaryMethyl Silicone628.Feng and Mu, 2007Program: not specified
CapillaryMethyl Silicone627.Blunden, Aneja, et al., 200560. m/0.32 mm/1.0 «mu»m, Helium; Program: -50 0C (2 min) 8 0C/min -> 200 0C (7.75 min) 25 0C -> 225 0C (8 min)
CapillaryHP-5624.Garcia-Estaban, Ansorena, et al., 200450. m/0.32 mm/1.05 «mu»m; Program: 40C(10min) => 5C/min => 200C => 20C/min => 250C(5min)
CapillaryDB-5624.Garcia-Estaban, Ansorena, et al., 2004, 250. m/0.32 mm/1.05 «mu»m; Program: 40C(10min) => 5C/min => 200C => 20C/min => 250C (5min)
CapillaryBP-1619.20Cooke, Hassoun, et al., 200150. m/0.25 mm/1. «mu»m, He; Program: -50C => 49.9C/min => 5C(3min) => 3C/min => 50C => 5C/min => 220C(20 min)
CapillaryCP Sil 8 CB635.Duckham, Dodson, et al., 200160. m/0.25 mm/0.25 «mu»m; Program: not specified
CapillaryDB-1630.Zhu and Wang, 2001Program: not specified
CapillaryCP-Sil5 CB MS621.Tirillini, Verdelli, et al., 200050. m/0.32 mm/0.4 «mu»m; Program: 0C (3min) => 3C/min => 50C => 5C/min => 220C (30min)
CapillaryMethyl Silicone627.Zenkevich, 2000Program: not specified
CapillaryMethyl Silicone625.Spieksma, 1999Program: not specified
CapillaryOV-1629.Zhu and He, 1999Program: not specified
CapillaryOV-1630.Zhu and He, 1999Program: not specified
CapillarySPB-1631.Flanagan, Streete, et al., 199760. m/0.53 mm/5. «mu»m, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
CapillaryDB-1619.Ciccioli, Cecinato, et al., 199460. m/0.32 mm/0.25 «mu»m; Program: not specified
CapillaryDB-1619.Ciccioli, Brancaleoni, et al., 199360. m/0.32 mm/0.25 «mu»m; Program: 3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/min
CapillaryOV-101620.Skrbic and Cvejanov, 1993Program: not specified
CapillarySPB-1631.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 «mu»m, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C
CapillarySPB-1650.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 «mu»m, Helium; Program: not specified
CapillarySE-52628.van Langenhove and Schamp, 1986Column length: 100. m; Column diameter: 0.50 mm; Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.620.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.627.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.629.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryOV-1650.Ramsey and Flanagan, 1982Program: not specified
PackedSE-30640.Robinson and Odell, 1971N2, Chromosorb W; Column length: 6.1 m; Program: 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold)
PackedSqualane623.Robinson and Odell, 1971N2, Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min => 35 => 4C/min => 95C(hold)
PackedSE-30640.Robinson and Odell, 1971, 2Chrom W; Column length: 6.1 m; Program: 50C(10min) => 20C/min(2min) => 90C(6min) => 10C/min(6min) => (hold at 150C)
PackedSqualane635.Robinson and Odell, 1971, 2Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min(5min) => 4C/min(15min) => (hold at 95C)

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryCarbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.675.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: 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, IR Spectrum, Mass spectrum (electron ionization), 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.

Good and Smith, 1969
Good, W.D.; Smith, N.K., Enthalpies of combustion of toluene, benzene, cyclohexane, cyclohexene, methylcyclopentane, 1-methylcyclopentene, and n-hexane, J. Chem. Eng. Data, 1969, 14, 102-106. [all data]

Prosen, Johnson, et al., 1946
Prosen, E.J.; Johnson, W.H.; Rossini, F.D., Heats of formation and combustion of the normal alkylcyclopentanes and cyclohexanes and the increment per CH2 group for several homologous series of hydrocarbons, J. Res. NBS, 1946, 37, 51-56. [all data]

Moore, Renquist, et al., 1940
Moore, G.E.; Renquist, M.L.; Parks, G.S., Thermal data on organic compounds. XX. Modern combustion data for two methylnonanes, methyl ethyl ketone, thiophene and six cycloparaffins, J. Am. Chem. Soc., 1940, 62, 1505-1507. [all data]

Thermodynamics Research Center, 1997
Thermodynamics Research Center, Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]

Scott D.W., 1960
Scott D.W., Chemical thermodynamic properties of methylcyclopentane and 1-cis-3-dimethylcyclopentane, J. Phys. Chem., 1960, 64, 906-908. [all data]

McCullough J.P., 1959
McCullough J.P., Thermodynamics of cyclopentane, methylcyclopentane and 1,cis-3-dimethylcyclopentane: verification of the concept of pseudorotation, J. Am. Chem. Soc., 1959, 81, 5880-5883. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Moore and Parks, 1939
Moore, G.E.; Parks, G.S., New thermodynamic data for the cyclohexane-methylcyclopentane isomerization, J. Am. Chem. Soc., 1939, 61, 2561-2562. [all data]

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Douslin, D.R.; Huffman, H.M., The heat capacities, heats of transition, heats of fusion and entropies of cyclopentane, methylcyclopentane and methylcylohexane, J. Am. Chem. Soc., 1946, 68, 173-176. [all data]

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Huffman, H.M.; Parks, G.S.; Barmore, M., Thermal data on organic compounds. X. Further studies on the heat capacities, entropies and free energies of hydrocarbons, J. Am. Chem. Soc., 1931, 53, 3876-3888. [all data]

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Daubert, T.E., Vapor-Liquid Critical Properties of Elements and Compounds. 5. Branched Alkanes and Cycloalkanes, J. Chem. Eng. Data, 1996, 41, 365-372. [all data]

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Kay, W.B., Vapor Pressures and Saturated Liquid and Vapor DEensities of Cyclopentane, Methylcyclopentane, Ethylcyclopentane, and Methylcyclohexane, J. Am. Chem. Soc., 1947, 69, 1273-7. [all data]

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Willingham, Taylor, et al., 1945
Willingham, C.B.; Taylor, W.J.; Pignocco, J.M.; Rossini, F.D., Vapor pressures and boiling points of some paraffin, alkylcyclopentane, alkylcyclohexane, and alkylbenzene hydrocarbons, J. RES. NATL. BUR. STAN., 1945, 35, 3, 219-17, https://doi.org/10.6028/jres.035.009 . [all data]

McCullough, Pennington, et al., 1959
McCullough, J.P.; Pennington, R.E.; Smith, J.C.; Hossenlopp, I.A.; Waddington, G., Thermodynamics of cyclopentane, methylcyclopentane and 1,cis-3-dimethylcyclopentane: Verification of the concept of pseudorotation, J. Am. Chem. Soc., 1959, 81, 5880-5883. [all data]

Williamham, Taylor, et al., 1945
Williamham, C.B.; Taylor, W.J.; Pignocco, J.M.; Rossini, F.D., Vapor Pressures and Boiling Points of Some Paraffin, Alkylcyclopentane, Alkylcyclohexane, and Alkylbenzene Hydrocarbons, J. Res. Natl. Bur. Stand. (U.S.), 1945, 35, 3, 219-244, https://doi.org/10.6028/jres.035.009 . [all data]

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Lias, S.G.; Ausloos, P.; Horvath, Z., Charge transfer reactions in alkane and cycloalkane systems. Estimated ionization potentials, Int. J. Chem. Kinet., 1976, 8, 725. [all data]

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Lossing, F.P.; Traeger, J.C., Stabilization in cyclopentadienyl, cyclopentenyl, and cyclopentyl cations, J. Am. Chem. Soc., 1975, 97, 1579. [all data]

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Arutyunov, Kudryashov, et al., 2004
Arutyunov, Y.I.; Kudryashov, S.Y.; Onuchak, L.A., Analysis of Mixtures Containing Unknown Components by Gas Chromatography: Determination of Molecular Mass, J. Anal. Chem. USSR (Engl. Transl.), 2004, 59, 4, 358-365. [all data]

Chen, Liang, et al., 2001
Chen, J.P.; Liang, X.M.; Zhang, Q.; Zhang, L.F., Prediction of GC retention values under various column temperature conditions from temperature programmed data, Chromatographia, 2001, 53, 9/10, 539-547, https://doi.org/10.1007/BF02491619 . [all data]

Skrbic, 1997
Skrbic, B.D., Unified retention concept -- statistical treatment of Kováts retention index, J. Chromatogr. A, 1997, 764, 2, 257-264, https://doi.org/10.1016/S0021-9673(96)00955-7 . [all data]

Estel, Mohnke, et al., 1995
Estel, D.; Mohnke; Biermans; Rotzsche, The analysis of C4-C11 hydrocarbons in naphtha and reformate with a new apolar fused silica column, J. Hi. Res. Chromatogr., 1995, 18, 7, 403-412, https://doi.org/10.1002/jhrc.1240180703 . [all data]

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Cha, K.-W.; Lee, D.-J., Prediction of retention indices of various compounds in gas-liquid chromatography, J. Korean Chem. Soc., 1994, 38, 2, 108-120, retrieved from http://journal.kcsnet.or.kr/publi/dh/dh94n2/108.pdf. [all data]

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Hilal, S.H.; Carreira, L.A.; Karickhoff, S.W.; Melton, C.M., Estimation of Gas-Liquid Chromatographic Retention Times from Molecular Structure, J. Chromatogr. A, 1994, 662, 2, 269-280, https://doi.org/10.1016/0021-9673(94)80515-6 . [all data]

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Skrbic, B.D.; Cvejanov, J.Dj., Unified retention indices of hydrocarbons on BP-1 dimethylsiloxane stationary phase, Chromatographia, 1992, 34, 1/2, 83-84, https://doi.org/10.1007/BF02290465 . [all data]

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Guan, Y.; Kiraly, J.; Rijks, J.A., Interactive retention index database for compound identification in temperature-programmed capillary gas chromatography, J. Chromatogr., 1989, 472, 129-143, https://doi.org/10.1016/S0021-9673(00)94101-3 . [all data]

Bangjie, Yijian, et al., 1988
Bangjie, C.; Yijian, G.; Shaoyi, P., Calculation of retention indices at an assigned temperature from temperature programmed data, Chromatographia, 1988, 25, 6, 539-542, https://doi.org/10.1007/BF02324830 . [all data]

Laub and Purnell, 1988
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Notes

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