1-Butene

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Gas phase thermochemistry data

Go To: Top, 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), UV/Visible 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 as indicated in comments:
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
Δfgas-0.63 ± 0.79kJ/molCmProsen, Maron, et al., 1951ALS
Quantity Value Units Method Reference Comment
Δcgas-2716.8 ± 0.75kJ/molCmProsen, Maron, et al., 1951Corresponding Δfgas = -0.54 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
41.0550.Thermodynamics Research Center, 1997p=1 bar. Calculated values of the thermodynamic functions [ Aston J.D., 1946, Kilpatrick J.E., 1946, Durig J.R., 1980, Thermodynamics Research Center, 1997] show some disagreement between authors as well as with experimental data [ Aston J.D., 1946, 2, Wacker P.F., 1947] (up to 3-4 J/mol*K). More reliable experimental data are required to solve available inconsistency.; GT
48.05100.
56.41150.
65.19200.
80.03273.15
85.56298.15
85.98300.
108.48400.
129.06500.
146.75600.
161.88700.
174.91800.
186.21900.
196.021000.
204.551100.
211.961200.
218.411300.
224.021400.
228.911500.
238.641750.
245.702000.
250.922250.
254.852500.
257.852750.
260.163000.

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
89.58 ± 0.06313.55Wacker P.F., 1947GT
101.21 ± 0.07363.25

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible 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: Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
liquid229.06J/mol*KN/ATakeda, Yamamuro, et al., 1991 
liquid227.0J/mol*KN/AChao, Hall, et al., 1983 
liquid213.84J/mol*KN/AAston, Fink, et al., 1946 

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
128.96298.15Takeda, Yamamuro, et al., 1991T = 5 to 300 K.
118.298.15Chao, Hall, et al., 1983T = 12 to 360 K.
128.6294.Schlinger and Sage, 1949T = 294 to 378 K. Cp given as 0.548 Btu/lb*R at 70°F at bubble point.
119.45260.Aston, Fink, et al., 1946T = 11.5 to 260 K.
119.16253.4Todd and Parks, 1936T = 81 to 253 K. Value is unsmoothed experimental datum.

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
DH - Eugene S. Domalski and Elizabeth D. Hearing
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil266.8 ± 0.5KAVGN/AAverage of 15 out of 17 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple87.800KN/ATakeda, Yamamuro, et al., 1991, 2Uncertainty assigned by TRC = 0.005 K; TRC
Ttriple87.82KN/AChao, Hall, et al., 1983, 2Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple87.8KN/AAston, Finke, et al., 1946Uncertainty assigned by TRC = 0.05 K; TRC
Ttriple87.83KN/AAston, Finke, et al., 1946Uncertainty assigned by TRC = 0.05 K; TRC
Quantity Value Units Method Reference Comment
Tc419.5 ± 0.5KN/ATsonopoulos and Ambrose, 1996 
Tc419.6KN/AMajer and Svoboda, 1985 
Tc417.15KN/ACoffin and Maass, 1928Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Pc40.2 ± 0.5barN/ATsonopoulos and Ambrose, 1996 
Quantity Value Units Method Reference Comment
Vc0.2408l/molN/ATsonopoulos and Ambrose, 1996 
Quantity Value Units Method Reference Comment
ρc4.15 ± 0.05mol/lN/ATsonopoulos and Ambrose, 1996 
Quantity Value Units Method Reference Comment
Δvap20.88kJ/molN/AMajer and Svoboda, 1985 
Δvap20.1kJ/molN/AReid, 1972AC

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
21.866266.91N/AAston, Fink, et al., 1946P = 101.325 kPa; DH
22.07266.9N/AMajer and Svoboda, 1985 
23.3259.AStephenson and Malanowski, 1987Based on data from 200. to 274. K.; AC
28.3177.AStephenson and Malanowski, 1987Based on data from 126. to 192. K.; AC
22.8282.AStephenson and Malanowski, 1987Based on data from 267. to 345. K.; AC
22.0357.AStephenson and Malanowski, 1987Based on data from 342. to 411. K.; AC
22.5282.AStephenson and Malanowski, 1987Based on data from 267. to 411. K.; AC
23.701202.CAston, Fink, et al., 1946ALS
25.3202.N/AAston, Fink, et al., 1946AC
24.5219.N/AAston, Fink, et al., 1946AC
23.3242.N/AAston, Fink, et al., 1946AC
21.9267.N/AAston, Fink, et al., 1946AC
23.2258.N/ALamb and Roper, 1940Based on data from 216. to 273. K. See also Boublik, Fried, et al., 1984.; AC

Enthalpy of vaporization

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

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Temperature (K) 203. to 378.
A (kJ/mol) 32.51
α 0.0052
β 0.38
Tc (K) 419.6
ReferenceMajer and Svoboda, 1985

Entropy of vaporization

ΔvapS (J/mol*K) Temperature (K) Reference Comment
81.92266.91Aston, Fink, et al., 1946P; DH

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
195.7 to 269.44.246961099.207-8.256Coffin and Maass, 1928, 2Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
3.958687.81Takeda, Yamamuro, et al., 1991DH
3.84887.82Chao, Hall, et al., 1983DH
3.84987.82Aston, Fink, et al., 1946DH
3.8587.8Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
45.0987.81Takeda, Yamamuro, et al., 1991DH
43.887.82Chao, Hall, et al., 1983DH
43.8387.82Aston, Fink, et al., 1946DH

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


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
B - John E. Bartmess

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

1-Butene = 2-Butene, (E)-

By formula: C4H8 = C4H8

Quantity Value Units Method Reference Comment
Δr-12.6 ± 0.84kJ/molEqkMeyer and Stroz, 1972gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -11.0 kJ/mol; At 300 K; ALS
Δr-12.4 ± 1.7kJ/molEqkHappel, Hnatow, et al., 1971gas phase; ALS
Δr-12.7kJ/molEqkMaccoll and Ross, 1965gas phase; GC; ALS
Δr-11.7 ± 0.84kJ/molEqkGolden, Egger, et al., 1964gas phase; ALS
Δr-11.5kJ/molCisoLevanova and Andreevskii, 1964gas phase; At 420.3 K; ALS

C4H7- + Hydrogen cation = 1-Butene

By formula: C4H7- + H+ = C4H8

Quantity Value Units Method Reference Comment
Δr1724. ± 8.4kJ/molBranDePuy, Gronert, et al., 1989gas phase; B
Δr1729. ± 20.kJ/molBranPeerboom, Rademaker, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
Δr1690. ± 8.8kJ/molH-TSDePuy, Gronert, et al., 1989gas phase; B
Δr1695. ± 21.kJ/molH-TSPeerboom, Rademaker, et al., 1992gas phase; B

1-Butene + Bromine = Butane, 1,2-dibromo-

By formula: C4H8 + Br2 = C4H8Br2

Quantity Value Units Method Reference Comment
Δr-120.9kJ/molCmLister, 1941gas phase; Heat of bromination at 300 K; ALS
Δr-123.2 ± 0.84kJ/molCmConn, Kistiakowsky, et al., 1938gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -123.8 ± 0.84 kJ/mol; At 355 °K; ALS

Hydrogen bromide + 1-Butene = Butane, 2-bromo-

By formula: HBr + C4H8 = C4H9Br

Quantity Value Units Method Reference Comment
Δr-83.85 ± 0.50kJ/molCmLacher, Billings, et al., 1952gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -84.3 ± 7.5 kJ/mol; Heat of hydrobromination at 367 K; ALS

C4H7- + Hydrogen cation = 1-Butene

By formula: C4H7- + H+ = C4H8

Quantity Value Units Method Reference Comment
Δr1707. ± 15.kJ/molCIDTGraul and Squires, 1990gas phase; B
Quantity Value Units Method Reference Comment
Δr1674. ± 15.kJ/molH-TSGraul and Squires, 1990gas phase; B

1-Butene = 2-Butene, (Z)-

By formula: C4H8 = C4H8

Quantity Value Units Method Reference Comment
Δr-10.6 ± 2.1kJ/molEqkHappel, Hnatow, et al., 1971gas phase; ALS
Δr-8.16kJ/molCisoLevanova and Andreevskii, 1964gas phase; At 420.3 K; ALS

1,2-Diiodobutane = 1-Butene + Iodine

By formula: C4H8I2 = C4H8 + I2

Quantity Value Units Method Reference Comment
Δr50.2 ± 6.3kJ/molCmCline and Kistiakowsky, 1937gas phase; Heat of formation derived by Cox and Pilcher, 1970; ALS

1-Butene + Hydrogen = Butane

By formula: C4H8 + H2 = C4H10

Quantity Value Units Method Reference Comment
Δr-125.9 ± 0.42kJ/molChydKistiakowsky, Ruhoff, et al., 1935gas phase; At 355 °K; ALS

Butane, 2-chloro- = 1-Butene + Hydrogen chloride

By formula: C4H9Cl = C4H8 + HCl

Quantity Value Units Method Reference Comment
Δr75.31kJ/molEqkLevanova and Andreevskii, 1964gas phase; At 420 K; ALS

1-Butene + Iodine = 1,2-Diiodobutane

By formula: C4H8 + I2 = C4H8I2

Quantity Value Units Method Reference Comment
Δr-50.2 ± 6.3kJ/molCmCline and Kistiakowsky, 1937gas phase; ALS

Phenol, 2-(1-methylpropyl)- = 1-Butene + Phenol

By formula: C10H14O = C4H8 + C6H6O

Quantity Value Units Method Reference Comment
Δr77.8kJ/molCmKukui, Potolovskii, et al., 1973liquid phase; ALS

Phenol, 4-(1-methylpropyl)- = 1-Butene + Phenol

By formula: C10H14O = C4H8 + C6H6O

Quantity Value Units Method Reference Comment
Δr82.8kJ/molCmKukui, Potolovskii, et al., 1973liquid phase; ALS

Henry's Law data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible 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: 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
0.0040 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.0014 LN/A 
0.0136400.LN/A 
0.0040 VN/A 

Gas phase ion energetics data

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

Data evaluated as indicated in comments:
L - Sharon G. Lias

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

View reactions leading to C4H8+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)9.55 ± 0.06eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
9.55 ± 0.06PIPECOVan der Meij, Van Eck, et al., 1989LL
9.57PITraeger, 1986LBLHLM
9.58PITraeger, 1984LBLHLM
9.62 ± 0.05EIHolmes and Lossing, 1983LBLHLM
9.59 ± 0.02PIWood and Taylor, 1979LLK
9.63 ± 0.02PEBieri, Burger, et al., 1977LLK
9.625 ± 0.003PEMasclet, Grosjean, et al., 1973LLK
9.58EILossing, 1972LLK
9.59PEDewar and Worley, 1969RDSH
9.62CICermak, 1968RDSH
9.61 ± 0.02PISteiner, Giese, et al., 1961RDSH
9.58 ± 0.01PIWatanabe, 1957RDSH
9.77 ± 0.01PEKrause, Taylor, et al., 1978Vertical value; LLK
10.0PEWhite, Carlson, et al., 1974Vertical value; LLK
9.72PEMollere, Bock, et al., 1972Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CH3+14.1C3H5EISenSharma and Franklin, 1973LLK
C2H3+13.6?EIOmura, 1962RDSH
C2H4+11.65 ± 0.06C2H4PIPECOVan der Meij, Van Eck, et al., 1989LL
C2H4+11.7 ± 0.2?EIMeisels, Park, et al., 1970RDSH
C2H5+14.22 ± 0.06C2H3PIPECOVan der Meij, Van Eck, et al., 1989LL
C3H3+14.07 ± 0.10H2+CH3PIPECOVan der Meij, Van Eck, et al., 1989LL
C3H3+13.82?EIOmura, 1961RDSH
C3H5+11.36 ± 0.06CH3PIPECOVan der Meij, Van Eck, et al., 1989LL
C3H5+11.20CH3PITraeger, 1984LBLHLM
C3H5+11.8CH3EISenSharma and Franklin, 1973LLK
C3H5+11.28CH3EILossing, 1971LLK
C4H5+14.33 ± 0.07H2+HPIPECOVan der Meij, Van Eck, et al., 1989LL
C4H7+11.17 ± 0.06HPIPECOVan der Meij, Van Eck, et al., 1989LL
C4H7+11.13HPITraeger, 1986LBLHLM
C4H7+11.26HEILossing, 1972LLK

De-protonation reactions

C4H7- + Hydrogen cation = 1-Butene

By formula: C4H7- + H+ = C4H8

Quantity Value Units Method Reference Comment
Δr1724. ± 8.4kJ/molBranDePuy, Gronert, et al., 1989gas phase; B
Δr1729. ± 20.kJ/molBranPeerboom, Rademaker, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
Δr1690. ± 8.8kJ/molH-TSDePuy, Gronert, et al., 1989gas phase; B
Δr1695. ± 21.kJ/molH-TSPeerboom, Rademaker, et al., 1992gas phase; B

C4H7- + Hydrogen cation = 1-Butene

By formula: C4H7- + H+ = C4H8

Quantity Value Units Method Reference Comment
Δr1707. ± 15.kJ/molCIDTGraul and Squires, 1990gas phase; B
Quantity Value Units Method Reference Comment
Δr1674. ± 15.kJ/molH-TSGraul and Squires, 1990gas phase; B

IR Spectrum

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

Gas Phase Spectrum

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Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Sadtler Research Labs Under US-EPA Contract
State gas

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, UV/Visible 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.
NIST MS number 18918

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UV/Visible spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes

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

Data compiled by: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Samson, Marmo, et al., 1962
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 20
Instrument n.i.g.
Melting point -185.3
Boiling point -6.2

Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, 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
CapillaryBPX-530.394.Aflalaye, Sternberg, et al., 199512. m/0.15 mm/0.25 μm, H2
CapillaryBPX-530.394.Aflalaye, Sternberg, et al., 199512. m/0.15 mm/0.25 μm, H2
CapillaryCP Sil 5 CB20.391.Do and Raulin, 199225. m/0.15 mm/2. μm, H2
CapillaryPoraPLOT Q100.389.Do and Raulin, 198910. m/0.32 mm/10. μm, H2
CapillaryPoraPLOT Q160.390.Do and Raulin, 198910. m/0.32 mm/10. μm, H2
CapillaryOV-1100.388.7Anders, Anders, et al., 198555. m/0.21 mm/0.35 μm, N2
CapillaryHP-PONA40.391.Lubeck and Sutton, 198450. m/0.21 mm/0.5 μm, H2
CapillarySE-3060.390.Bredael, 1982Column length: 100. m; Column diameter: 0.5 mm
CapillaryOV-120.386.Nijs and Jacobs, 1981He; Column length: 150. m; Column diameter: 0.50 mm
CapillarySqualane50.384.4Schröder, 1980 
PackedSqualane80.384.Chrétien and Dubois, 1977 
CapillarySqualane100.395.Lulova, Leont'eva, et al., 1976He; Column length: 120. m; Column diameter: 0.25 mm
CapillarySqualane40.385.Matukuma, 1969N2; Column length: 91.4 m; Column diameter: 0.25 mm
PackedSqualane27.385.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane49.385.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane67.385.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane86.385.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSE-3070.393.Widmer, 1967Diatoport S; Column length: 7.9 m
PackedSqualane26.385.Zulaïca and Guiochon, 1966Column length: 10. m

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

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Column type Active phase I Reference Comment
CapillaryPetrocol DH-100389.2Haagen-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-1392.Hoekman, 199360. m/0.32 mm/1.0 μm, 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

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedCarbowax 20M130.436.Widmer, 1967Diatoport P; Column length: 7.9 m
PackedCarbowax 20M70.426.Widmer, 1967Diatoport P; Column length: 7.9 m

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

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Column type Active phase I Reference Comment
CapillaryPetrocol DH386.White, Hackett, et al., 1992100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryChromosorb 101400.Voorhees, Hileman, et al., 197510. K/min; Tstart: 0. C; Tend: 220. C

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

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Column type Active phase I Reference Comment
PackedSE-30388.Peng, Ding, et al., 1988Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min)

Normal alkane RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-10140.385.Li and Deng, 1998N2; Column length: 51. m; Column diameter: 0.25 mm
CapillarySE-5450.402.Xieyun, Maoqi, et al., 1996N2; Column length: 40. m; Column diameter: 0.25 mm
PackedMethyl Silicone50.400.Huguet, 1961Nitrogen, Celite C-22; Column length: 2.5 m

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxane: CP-Sil 5 CB390.Bramston-Cook, 201360. m/0.25 mm/1.0 μm, Helium, 45. C @ 1.45 min, 3.6 K/min, 210. C @ 2.72 min
CapillaryPetrocol DH392.Supelco, 2012100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min
CapillaryUltra-ALLOY-5382.Tsuge, Ohtan, et al., 201130. m/0.25 mm/0.25 μm, 40. C @ 2. min, 20. K/min, 320. C @ 13. min
CapillaryUltra-ALLOY-5385.Tsuge, Ohtan, et al., 201130. m/0.25 mm/0.25 μm, 40. C @ 2. min, 20. K/min, 320. C @ 13. min
CapillaryUltra-ALLOY-5385.Tsuge, Ohtan, et al., 201130. m/0.25 mm/0.25 μm, 40. C @ 2. min, 20. K/min, 320. C @ 13. min
CapillaryUltra-ALLOY-5385.Tsuge, Ohtan, et al., 201130. m/0.25 mm/0.25 μm, 40. C @ 2. min, 20. K/min, 320. C @ 13. min
CapillaryUltra-ALLOY-5388.Tsuge, Ohtan, et al., 201130. m/0.25 mm/0.25 μm, 40. C @ 2. min, 20. K/min, 320. C @ 13. min
CapillaryDB-5MS386.Shoenmakers, Oomen, et al., 200030. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 3. K/min; Tend: 250. C
CapillaryOV-101387.Chupalov and Zenkevich, 1996N2, 3. K/min; Column length: 52. m; Column diameter: 0.26 mm; Tstart: 50. C; Tend: 220. C
CapillaryDB-1386.Ciccioli, Cecinato, et al., 199260. m/0.32 mm/1.2 μm, He, 30. C @ 10. min, 3. K/min; Tend: 240. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryMethyl Silicone390.Blunden, Aneja, et al., 200560. m/0.32 mm/1.0 μm, Helium; Program: -50 0C (2 min) 8 0C/min -> 200 0C (7.75 min) 25 0C -> 225 0C (8 min)
CapillaryPolydimethyl siloxane384.Junkes, Castanho, et al., 2003Program: not specified
CapillaryPONA391.Perkin Elmer Instruments, 2002Column length: 100. m; Phase thickness: 0.50 μm; Program: not specified
CapillaryMethyl Silicone383.N/AProgram: not specified
CapillaryMethyl Silicone387.Zenkevich, 2000Program: not specified
CapillaryMethyl Silicone386.Spieksma, 1999Program: not specified
CapillarySPB-1386.Flanagan, Streete, et al., 199760. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
CapillaryPolydimethyl siloxanes387.Zenkevich, 1997Program: not specified
CapillaryPolydimethyl siloxanes387.Zenkevich, Chupalov, et al., 1996Program: not specified
CapillaryMethyl Silicone387.Xu, Chu, et al., 1995Program: not specified
CapillarySPB-1386.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-1390.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 μm, Helium; Program: not specified
CapillaryOV-1390.Ramsey and Flanagan, 1982Program: not specified
PackedSE-30392.Robinson and Odell, 1971N2, Chromosorb W; Column length: 6.1 m; Program: 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold)

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryCarbowax 20M415.Ramsey and Flanagan, 1982Program: 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), UV/Visible spectrum, Gas Chromatography, Notes

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

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Coffin, C.C.; Maass, O., The Preparation and Physical Properties of α, β- and γ-Butylene and Normal and Isobutane, J. Am. Chem. Soc., 1928, 50, 5, 1427-1437, https://doi.org/10.1021/ja01392a028 . [all data]

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Lacher, J.R.; Billings, T.J.; Campion, D.E., Vapor phase heats of hydrobromination of the isomeric butenes, J. Am. Chem. Soc., 1952, 74, 5291-52. [all data]

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Traeger, 1984
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Samson, Marmo, et al., 1962
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Do and Raulin, 1992
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Notes

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