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Butane, 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
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas-36.73 ± 0.14kcal/molCcbGood, 1970ALS
Deltafgas-36.84 ± 0.23kcal/molCmPilcher and Chadwick, 1967ALS
Deltafgas-36.92 ± 0.20kcal/molCcbProsen and Rossini, 1945ALS
Quantity Value Units Method Reference Comment
Deltacgas-843.31 ± 0.22kcal/molCmPilcher and Chadwick, 1967Corresponding «DELTA»fgas = -36.84 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacgas-843.36 ± 0.15kcal/molCmKnowlton and Rossini, 1939Corresponding «DELTA»fgas = -36.79 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacgas-843.11 ± 0.84kcal/molCcbRoth and Pahlke, 1936Reanalyzed by Cox and Pilcher, 1970, Original value = -843.45 kcal/mol; Corresponding «DELTA»fgas = -37.04 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
20.30200.Scott D.W., 1974Recommended values were obtained from the consistent correlation scheme for alkanes [ Scott D.W., 1974, 2, Scott D.W., 1974]. This approach gives a better agreement with experimental data than the statistical thermodynamics calculations [ Pitzer K.S., 1946, Scott D.W., 1951].; GT
26.379273.15
28.41 ± 0.1298.15
28.561300.
36.539400.
43.800500.
50.201600.
55.700700.
60.500800.
64.699900.
68.4011000.
71.5991100.
74.4001200.
77.0001300.
79.0011400.
80.9991500.

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
29.950 ± 0.088317.20Scott D.W., 1951GT
33.25 ± 0.10358.15
36.72 ± 0.11402.30
40.24 ± 0.12449.20
42.93 ± 0.13487.05

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-42.58 ± 0.21kcal/molCcbGood, 1970Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -42.76 ± 0.14 kcal/mol; ALS
Deltafliquid-42.86 ± 0.20kcal/molCcbProsen and Rossini, 1945ALS
Quantity Value Units Method Reference Comment
Deltacliquid-837.57 ± 0.20kcal/molCcbGood, 1970Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -837.39 ± 0.11 kcal/mol; Corresponding «DELTA»fliquid = -42.58 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-837.30 ± 0.18kcal/molCcbProsen and Rossini, 1945Corresponding «DELTA»fliquid = -42.85 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid62.239cal/mol*KN/AGuthrie and Huffman, 1943DH
liquid62.390cal/mol*KN/ASchumann, Aston, et al., 1942DH
liquid60.80cal/mol*KN/AParks, Huffman, et al., 1930Extrapolation below 90 K, 57.49 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
39.32298.3Czarnota, 1988T = 289 to 299 K. p = 0.1 MPa. Unsmoothed experimental datum. Cp values provided over the pressure range 0.1 to 820 MPa.; DH
39.400298.15Guthrie and Huffman, 1943T = 13 to 300 K.; DH
40.490290.Schumann, Aston, et al., 1942T = 20 to 290 K.; DH
37.60275.8Parks, Huffman, et al., 1930T = 80 to 276 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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis

Quantity Value Units Method Reference Comment
Tboil301.1 ± 0.2KAVGN/AAverage of 67 out of 76 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus113. ± 1.KAVGN/AAverage of 10 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple113.37KN/AGuthrie and Huffman, 1943, 2Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple113.39KN/ASchumann, Aston, et al., 1942, 2Uncertainty assigned by TRC = 0.05 K; TRC
Ttriple112.6KN/AParks, Huffman, et al., 1930, 2Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Tc461. ± 5.KAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Pc33.4 ± 0.5atmN/ADaubert, 1996 
Pc33.37atmN/ADas, Reed, et al., 1977Uncertainty assigned by TRC = 0.5000 atm; TRC
Pc33.660atmN/AVohra and Kobe, 1959Uncertainty assigned by TRC = 0.09998 atm; TRC
Pc32.919atmN/AYoung, 1910Uncertainty assigned by TRC = 0.658 atm; TRC
Pc32.27atmN/AAltschul, 1893Uncertainty assigned by TRC = 0.9679 atm; TRC
Quantity Value Units Method Reference Comment
Vc0.306l/molN/ADaubert, 1996 
Quantity Value Units Method Reference Comment
rhoc3.27 ± 0.05mol/lN/ADaubert, 1996 
rhoc3.247mol/lN/AHolcomb, Magee, et al., 1995Uncertainty assigned by TRC = 0.06 mol/l; TRC
rhoc3.27mol/lN/ADas, Reed, et al., 1977Uncertainty assigned by TRC = 0.03 mol/l; TRC
rhoc3.27mol/lN/AVohra and Kobe, 1959Uncertainty assigned by TRC = 0.1 mol/l; TRC
rhoc3.247mol/lN/AYoung, 1910Uncertainty assigned by TRC = 0.06 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap6.028kcal/molN/AMajer and Svoboda, 1985 
Deltavap5.93kcal/molN/AReid, 1972AC
Deltavap5.94 ± 0.03kcal/molVScott, McCullough, et al., 1951flow calorimeter and metal cycling vaporizer; ALS
Deltavap5.98kcal/molCSchumann, Aston, et al., 1942AC

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
5.901301.N/AMajer and Svoboda, 1985 
5.9350293.95N/ASchumann, Aston, et al., 1942P = 79.15 kPa; DH
6.43270.N/AEwing and Goodwin, 1991Based on data from 255. - 323. K.; AC
6.81231.AStephenson and Malanowski, 1987Based on data from 216. - 323. K.; AC
6.02315.AStephenson and Malanowski, 1987Based on data from 300. - 460. K.; AC
6.02335.AStephenson and Malanowski, 1987Based on data from 320. - 391. K.; AC
5.93400.AStephenson and Malanowski, 1987Based on data from 385. - 416. K.; AC
6.05427.AStephenson and Malanowski, 1987Based on data from 412. - 460. K.; AC
5.83310.N/ADas, Reed, et al., 1977, 2AC
5.14350.N/ADas, Reed, et al., 1977, 2AC
4.30390.N/ADas, Reed, et al., 1977, 2AC
3.08430.N/ADas, Reed, et al., 1977, 2AC
7.22205.N/AStull, 1947Based on data from 190. - 300. K.; AC
6.26295.MMWillingham, Taylor, et al., 1945Based on data from 289. - 301. 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) beta Tc (K) Reference Comment
279. - 301.9.3260.267460.4Majer and Svoboda, 1985 

Entropy of vaporization

DeltavapS (cal/mol*K) Temperature (K) Reference Comment
20.19293.95Schumann, Aston, et al., 1942P; DH

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
190.3 - 300.93.903641018.516-40.081Stull, 1947Coefficents calculated by NIST from author's data.
300.9 - 453.53.966121021.864-43.231Stull, 1947Coefficents calculated by NIST from author's data.
289.44 - 301.743.908861020.012-40.053Williamham, Taylor, et al., 1945 

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
1.2322113.37Guthrie and Huffman, 1943DH
1.226113.39Schumann, Aston, et al., 1942DH
1.23113.4Domalski and Hearing, 1996AC
1.222112.6Parks, Huffman, et al., 1930DH

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
10.87113.37Guthrie and Huffman, 1943DH
10.81113.39Schumann, Aston, et al., 1942DH
10.81113.4Domalski and Hearing, 1996CAL
10.85112.6Parks, Huffman, et al., 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:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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: 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 + 2-Methyl-1-butene = Butane, 2-methyl-

By formula: H2 + C5H10 = C5H12

Quantity Value Units Method Reference Comment
Deltar-30.341kcal/molChydDolliver, Gresham, et al., 1937gas phase; At 355 °K
Deltar-28.25 ± 0.10kcal/molChydKistiakowsky, Ruhoff, et al., 1936gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -28.49 ± 0.36 kcal/mol; At 355 K

Hydrogen + 1-Butene, 3-methyl- = Butane, 2-methyl-

By formula: H2 + C5H10 = C5H12

Quantity Value Units Method Reference Comment
Deltar-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

Pentane = Butane, 2-methyl-

By formula: C5H12 = C5H12

Quantity Value Units Method Reference Comment
Deltar-1.861kcal/molEqkPines, Kvetinskas, et al., 1945gas phase; Heat of isomerization

Hydrogen + 2-Butene, 2-methyl- = Butane, 2-methyl-

By formula: H2 + C5H10 = C5H12

Quantity Value Units Method Reference Comment
Deltar-26.68 ± 0.06kcal/molChydKistiakowsky, Ruhoff, et al., 1936gas phase

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)

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

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 D.HENNEBERG, MAX-PLANCK INSTITUTE, MULHEIM, WEST GERMANY
NIST MS number 61287

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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, 1970
Good, W.D., The enthalpies of combustion and formation of the isomeric pentanes, J. Chem. Thermodyn., 1970, 2, 237-244. [all data]

Pilcher and Chadwick, 1967
Pilcher, G.; Chadwick, J.D.M., Measurements of heats of combustion by flame calorimetry. Part 4.-n-Pentane, isopentane, neopentane, Trans. Faraday Soc., 1967, 63, 2357-2361. [all data]

Prosen and Rossini, 1945
Prosen, E.J.; Rossini, F.D., Heats of combustion and formation of the paraffin hydrocarbons at 25° C, J. Res. NBS, 1945, 263-267. [all data]

Knowlton and Rossini, 1939
Knowlton, J.W.; Rossini, F.D., Heats of combustion of tetramethylmethane and 2-methylbutane, J. Res. NBS, 1939, 22, 415-424. [all data]

Roth and Pahlke, 1936
Roth, W.A.; Pahlke, H., Sekundare eichsubstanz fur verbrennungscalorimeter fur gase und dampfe. Die verbrennungswarme von isopentandampf, Angew. Chem., 1936, 49, 618-619. [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]

Scott D.W., 1974
Scott D.W., Chemical Thermodynamic Properties of Hydrocarbons and Related Substances. Properties of the Alkane Hydrocarbons, C1 through C10 in the Ideal Gas State from 0 to 1500 K. U.S. Bureau of Mines, Bulletin 666, 1974. [all data]

Scott D.W., 1974, 2
Scott D.W., Correlation of the chemical thermodynamic properties of alkane hydrocarbons, J. Chem. Phys., 1974, 60, 3144-3165. [all data]

Pitzer K.S., 1946
Pitzer K.S., The entropies and related properties of branched paraffin hydrocarbons, Chem. Rev., 1946, 39, 435-447. [all data]

Scott D.W., 1951
Scott D.W., Rotational isomerism and thermodynamic functions of 2-methylbutane and 2,3-dimethylbutane. Vapor heat capacity and heat of vaporization of 2-methylbutane, J. Am. Chem. Soc., 1951, 73, 1707-1712. [all data]

Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P., Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]

Guthrie and Huffman, 1943
Guthrie, G.B., Jr.; Huffman, H.M., Thermal data. XVI. The heat capacity and entropy of isopentane. The absence of a reported anomaly, J. Am. Chem. Soc., 1943, 65, 1139-1143. [all data]

Schumann, Aston, et al., 1942
Schumann, S.C.; Aston, J.G.; Sagenkahn, M., The heat capacity and entropy, heats of fusion and vaporization and the vapor pressures of isopentane, J. Am. Chem. Soc., 1942, 64, 1039-1043. [all data]

Parks, Huffman, et al., 1930
Parks, G.S.; Huffman, H.M.; Thomas, S.B., Thermal data on organic compounds. VI. The heat capacities, entropies and free energies of some saturated, non-benzenoid hydrocarbons, J. Am. Chem. Soc., 1930, 52, 1032-1041. [all data]

Czarnota, 1988
Czarnota, I., Heat capacity of 2-methylbutane at high pressures, J. Chem. Thermodynam., 1988, 20, 457-462. [all data]

Guthrie and Huffman, 1943, 2
Guthrie, G.B.; Huffman, H.M., Thermal data. XVI. the heat capacity and entropy of isopentane. the absence of a reported anomaly., J. Am. Chem. Soc., 1943, 65, 1139. [all data]

Schumann, Aston, et al., 1942, 2
Schumann, S.C.; Aston, J.G.; Sagenkahn, M., The Heat Capacity and Entropy, Heats of Fusion and Vaporization and the Vapor Pressures of Isopentane, J. Am. Chem. Soc., 1942, 64, 1039. [all data]

Parks, Huffman, et al., 1930, 2
Parks, G.S.; Huffman, H.M.; Thomas, S.B., Thermal Data on Organic Compounds VI. The Heat Capacities, Entropies and Free Energies of Some Saturated, Non-Benzenoid Hydrocarbons, J. Am. Chem. Soc., 1930, 52, 1032-41. [all data]

Daubert, 1996
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]

Das, Reed, et al., 1977
Das, T.R.; Reed, C.O.; Eubank, P.T., PVT Surface and Thermodindynamic Properties of Isopentane., J. Chem. Eng. Data, 1977, 22, 9. [all data]

Vohra and Kobe, 1959
Vohra, S.P.; Kobe, K.A., Volumetric Behaviour and Critical Constants of Isopentane, J. Chem. Eng. Data, 1959, 4, 329. [all data]

Young, 1910
Young, S., The Internal Heat of Vaporization constants of thirty pure substances, Sci. Proc. R. Dublin Soc., 1910, 12, 374. [all data]

Altschul, 1893
Altschul, M., The critical values of some organic compounds, Z. Phys. Chem., Stoechiom. Verwandtschaftsl., 1893, 11, 577. [all data]

Holcomb, Magee, et al., 1995
Holcomb, C.D.; Magee, J.W.; Haynes, W.M., Density Measurements on Natural Gas Liquids, Research Report RR-147, Gas Processors Association Project 916, 1995. [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, McCullough, et al., 1951
Scott, D.W.; McCullough, J.P.; Williamson, K.D.; Waddington, G., Rotational isomerism and thermodynamic functions of 2-methylbutane and 2,3-dimethylbutane. Vapor heat capacity and heat of vaporization of 2-methylbutane, J. Am. Chem. Soc., 1951, 73, 1707-17. [all data]

Ewing and Goodwin, 1991
Ewing, M.B.; Goodwin, A.R.H., Vapour pressures of 2-methylbutane determined using comparative ebulliometry, The Journal of Chemical Thermodynamics, 1991, 23, 12, 1163-1168, https://doi.org/10.1016/S0021-9614(05)80149-1 . [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]

Das, Reed, et al., 1977, 2
Das, Tarun R.; Reed, Charles O.; Eubank, Philip T., PVT surface and thermodynamic properties of neopentane, J. Chem. Eng. Data, 1977, 22, 1, 16-21, https://doi.org/10.1021/je60072a025 . [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

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]

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]

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]

Kistiakowsky, Ruhoff, et al., 1936
Kistiakowsky, G.B.; Ruhoff, J.R.; Smith, H.A.; Vaughan, W.E., Heats of organic reactions. III. Hydrogenation of some higher olefins, J. Am. Chem. Soc., 1936, 58, 137-145. [all data]

Pines, Kvetinskas, et al., 1945
Pines, H.; Kvetinskas, B.; Kassel, L.S.; Ipatieff, V.N., Determination of equilibrium constants for butanes and pentanes, J. Am. Chem. Soc., 1945, 67, 631-637. [all data]


Notes

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