1-Butene, 3-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.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Δfgas-6.09kcal/molN/AGood and Smith, 1979Value computed using ΔfHliquid° value of -51.6±0.62 kj/mol from Good and Smith, 1979 and ΔvapH° value of 26.1 kj/mol from alkenes correlation.; DRB

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
27.5298.15Thermodynamics Research Center, 1997p=1 bar. Recommended values were calculated from data for lower alkenes by a method of increments (see also [ Kilpatrick J.E., 1946]). The results of two statistical thermodynamics calculations [ Radyuk Z.A., 1973, Durig J.R., 1980] are in much more disagreement with experimental entropies (2.6 and 5.1 J/mol*K for S(298.15 K), respectively) than estimated TRC values.; GT
27.5300.
34.2400.
40.2500.
45.4600.
49.7700.
53.5800.
56.9900.
59.81000.
62.11100.
64.31200.
66.21300.
67.91400.
69.31500.

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

Quantity Value Units Method Reference Comment
Tboil293. ± 1.KAVGN/AAverage of 23 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus104.64 ± 0.06KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple104.71KN/AChao, Hall, et al., 1983Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple104.72KN/ATodd, Oliver, et al., 1947Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple104.710KN/AHuffman, 1946Uncertainty assigned by TRC = 0.05 K; TRC
Quantity Value Units Method Reference Comment
Tc452.7 ± 0.3KN/ATsonopoulos and Ambrose, 1996 
Quantity Value Units Method Reference Comment
Pc34.8 ± 0.3atmN/ATsonopoulos and Ambrose, 1996 
Quantity Value Units Method Reference Comment
Vc0.3049l/molN/ATsonopoulos and Ambrose, 1996 
Quantity Value Units Method Reference Comment
ρc3.28 ± 0.03mol/lN/ATsonopoulos and Ambrose, 1996 
Quantity Value Units Method Reference Comment
Δvap5.71kcal/molN/AReid, 1972AC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
6.29252.AStephenson and Malanowski, 1987Based on data from 237. to 324. K.; AC
6.07288.EBScott and Waddington, 1950Based on data from 273. to 324. K.; AC

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
273.37 to 324.293.945551013.575-36.32Scott and Waddington, 1950Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
1.281104.71Chao, Hall, et al., 1983, 2DH
1.2809104.712Todd, Oliver, et al., 1947, 2DH
1.28104.7Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
12.23104.71Chao, Hall, et al., 1983, 2DH
12.23104.712Todd, Oliver, et al., 1947, 2DH

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


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, 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: 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 + 1-Butene, 3-methyl- = Butane, 2-methyl-

By formula: H2 + C5H10 = C5H12

Quantity Value Units Method Reference Comment
Δr-30.19 ± 0.06kcal/molChydDolliver, Gresham, et al., 1937gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -30.34 ± 0.06 kcal/mol; At 355 °K

2-Butene, 2-methyl- = 1-Butene, 3-methyl-

By formula: C5H10 = C5H10

Quantity Value Units Method Reference Comment
Δr3.40 ± 0.35kcal/molEqkRadyuk, Kabo, et al., 1973gas phase; Heat of isomerization at 622 K

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, 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 19074

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References

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

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

Good and Smith, 1979
Good, W.D.; Smith, N.K., The enthalpies of combustion of the isomeric pentenes in the liquid state. A warning to combustion calorimetrists about sample drying, J. Chem. Thermodyn., 1979, 11, 111-118. [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]

Kilpatrick J.E., 1946
Kilpatrick J.E., Heats, equilibrium constants, and free energies of formation of the monoolefin hydrocarbons, J. Res. Nat. Bur. Stand, 1946, 36, 559-612. [all data]

Radyuk Z.A., 1973
Radyuk Z.A., Equilibrium of isomerization and thermodynamic properties of methylbutenes, Neftekhimiya, 1973, 13, 356-360. [all data]

Durig J.R., 1980
Durig J.R., Torsional spectra of molecules with two internal C3v rotors. 19. Vibrational spectra, torsional potential functions, and conformational and thermodynamic properties of 2-methyl-1-butene, J. Phys. Chem., 1980, 84, 3554-3561. [all data]

Chao, Hall, et al., 1983
Chao, J.; Hall, K.R.; Yao, J.M., Thermodynamic Properties of Simple Alkenes, Thermochim. Acta, 1983, 64, 285. [all data]

Todd, Oliver, et al., 1947
Todd, S.S.; Oliver, G.D.; Huffman, H.M., The heat capacities, heats of fusion and entropies of the six pentenes., J. Am. Chem. Soc., 1947, 69, 1519. [all data]

Huffman, 1946
Huffman, H.M., Personal Commun., U. S. Bur. Mines, Bartlesville, OK, 1946. [all data]

Tsonopoulos and Ambrose, 1996
Tsonopoulos, C.; Ambrose, D., Vapor-Liquid Critical Properties of Elements and Compounds. 6. Unsaturated Aliphatic Hydrocarbons, J. Chem. Eng. Data, 1996, 41, 645-656. [all data]

Reid, 1972
Reid, Robert C., Handbook on vapor pressure and heats of vaporization of hydrocarbons and related compounds, R. C. Wilhort and B. J. Zwolinski, Texas A Research Foundation. College Station, Texas(1971). 329 pages.$10.00, AIChE J., 1972, 18, 6, 1278-1278, https://doi.org/10.1002/aic.690180637 . [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Scott and Waddington, 1950
Scott, Donald W.; Waddington, Guy, Vapor Pressure of cis-2-Pentene, trans-2-Pentene and 3-Methyl-1-butene, J. Am. Chem. Soc., 1950, 72, 9, 4310-4311, https://doi.org/10.1021/ja01165a542 . [all data]

Chao, Hall, et al., 1983, 2
Chao, J.; Hall, K.R.; Yao, J.M., Thermodynamic properties of simple alkenes, Thermochim. Acta, 1983, 64(3), 285-303. [all data]

Todd, Oliver, et al., 1947, 2
Todd, S.S.; Oliver, G.D.; Huffman, H.M., The heat capacities, heats of fusion and entropies of the six pentenes, J. Am. Chem. Soc., 1947, 69, 1519-1525. [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

Dolliver, Gresham, et al., 1937
Dolliver, M.a.; Gresham, T.L.; Kistiakowsky, G.B.; Vaughan, W.E., Heats of organic reactions. V. Heats of hydrogenation of various hydrocarbons, J. Am. Chem. Soc., 1937, 59, 831-841. [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]

Radyuk, Kabo, et al., 1973
Radyuk, Z.A.; Kabo, G.Ya.; Andreevskii, D.N., Isomerization equilibrium and thermodynamic properties of methylbutenes, Neftekhimiya, 1973, 13, 356-360. [all data]


Notes

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