2-Butene, 2-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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Δfgas-41.5 ± 0.88kJ/molEqkWiberg and Hao, 1991Heat of hydration; ALS
Δfgas-41.0kJ/molN/AGood and Smith, 1979Value computed using ΔfHliquid° value of -68.1±1.3 kj/mol from Good and Smith, 1979 and ΔvapH° value of 27.1 kj/mol from Wiberg and Hao, 1991.; DRB

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
111.00 ± 0.33319.04Scott D.W., 1949GT
122.97 ± 0.37362.37
133.93 ± 0.40402.26
143.05 ± 0.43436.18
152.05 ± 0.46471.09

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
105.02298.15Scott D.W., 1949Recommended results of statistical thermodynamics calculation are in good agreement with experimental data.; GT
105.52300.
133.60400.
159.28500.
181.67600.
201.00700.
217.78800.
232.30900.
244.971000.
255.891100.
265.471200.
273.711300.
280.911400.
287.151500.

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change 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 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-68.6 ± 0.8kJ/molEqkWiberg and Hao, 1991Heat of hydration; ALS
Δfliquid-68.1 ± 1.3kJ/molCcbGood and Smith, 1979ALS
Quantity Value Units Method Reference Comment
Δcliquid-3328.6 ± 1.3kJ/molCcbGood and Smith, 1979Corresponding Δfliquid = -68.08 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid251.2J/mol*KN/AChao, Hall, et al., 1983DH
liquid251.04J/mol*KN/ATodd, Oliver, et al., 1947DH
liquid248.9J/mol*KN/AParks and Huffman, 1930Extrapolation below 90 K, 13.12 cal/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
152.8298.15Chao, Hall, et al., 1983T = 13 to 301 K.; DH
152.80298.15Todd, Oliver, et al., 1947T = 12 to 300 K.; DH
146.4293.9Parks and Huffman, 1930T = 93 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, 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
Tboil311. ± 1.KAVGN/AAverage of 44 out of 45 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus140. ± 10.KAVGN/AAverage of 10 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple139.40KN/AChao, Hall, et al., 1983, 2Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple139.42KN/ATodd, Oliver, et al., 1947, 2Uncertainty assigned by TRC = 0.05 K; TRC
Ttriple139.440KN/AHuffman, 1945Uncertainty assigned by TRC = 0.6 K; TRC
Ttriple139.420KN/AHuffman, 1945Uncertainty assigned by TRC = 0.6 K; TRC
Ttriple138.9KN/AParks and Huffman, 1930, 2Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Tc470. ± 1.KN/ATsonopoulos and Ambrose, 1996 
Tc481.KN/AMajer and Svoboda, 1985 
Quantity Value Units Method Reference Comment
Pc34.2 ± 1.0barN/ATsonopoulos and Ambrose, 1996 
Quantity Value Units Method Reference Comment
Δvap27.34kJ/molN/AMajer and Svoboda, 1985 
Δvap27.1kJ/molN/AReid, 1972AC
Δvap27.1 ± 0.1kJ/molCScott, Waddington, et al., 1949AC

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
26.31311.7N/AMajer and Svoboda, 1985 
28.4286.AStephenson and Malanowski, 1987Based on data from 271. to 343. K.; AC
28.3291.N/AScott, Waddington, et al., 1949Based on data from 276. to 344. K.; AC
27.5 ± 0.1290.CScott, Waddington, et al., 1949AC
26.3 ± 0.1312.CScott, Waddington, et al., 1949AC

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) β Tc (K) Reference Comment
290. to 312.41.460.2688481.Majer 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 Comment
276.19 to 343.744.047271098.619-39.889Scott, Waddington, et al., 1949Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
7.579139.40Chao, Hall, et al., 1983DH
7.5973139.42Todd, Oliver, et al., 1947DH
7.59139.4Domalski and Hearing, 1996AC
7.435138.9Parks and Huffman, 1930DH

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
54.37139.40Chao, Hall, et al., 1983DH
54.49139.42Todd, Oliver, et al., 1947DH
5.35138.9Parks and Huffman, 1930DH

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:


References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Notes

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

Wiberg and Hao, 1991
Wiberg, K.B.; Hao, S., Enthalpies of hydration of alkenes. 4. Formation of acyclic tert-alcohols, J. Org. Chem., 1991, 56, 5108-5110. [all data]

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]

Scott D.W., 1949
Scott D.W., Thermodynamic properties of three isomeric pentenes, J. Am. Chem. Soc., 1949, 71, 2767-2773. [all data]

Chao, Hall, et al., 1983
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
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]

Parks and Huffman, 1930
Parks, G.S.; Huffman, H.M., Thermal data on organic compounds. IX. A study of the effect of unsaturation on the heat capacities, entropies and free energies of some hydrocarbons and other compounds, J. Am. Chem. Soc., 1930, 52, 4381-4391. [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, 285. [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. [all data]

Huffman, 1945
Huffman, H.M., Personal Commun., U. S. Bur. Mines, Bartlesville, OK, July 25, 1945. [all data]

Parks and Huffman, 1930, 2
Parks, G.S.; Huffman, H.M., Thermal data on organic compounds. IX. A study of the effect of unsaturation on the heat capacities, entropies and free energies of some hydrocarbons and other compounds, J. Am. Chem. Soc., 1930, 52, 4381. [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]

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [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]

Scott, Waddington, et al., 1949
Scott, D.W.; Waddington, G.; Smith, J.C.; Huffman, H.M., Thermodynamic properties of three isomeric pentenes, J. Am. Chem. Soc., 1949, 71, 2767-2773. [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]

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]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References