Butane, 2,3-dimethyl-

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Phase change data

Go To: Top, Gas phase ion energetics 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil331.2 ± 0.2KAVGN/AAverage of 65 out of 73 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus143. ± 6.KAVGN/AAverage of 28 out of 29 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple144. ± 6.KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Tc500.1 ± 0.5KAVGN/AAverage of 11 values; Individual data points
Quantity Value Units Method Reference Comment
Pc31.1 ± 0.8atmAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Vc0.361l/molN/ADaubert, 1996 
Vc0.360l/molN/AGenco, Teja, et al., 1980Uncertainty assigned by TRC = 0.001 l/mol; TRC
Quantity Value Units Method Reference Comment
ρc2.77 ± 0.02mol/lN/ADaubert, 1996 
ρc2.80mol/lN/AKay, 1946Uncertainty assigned by TRC = 0.02 mol/l; by extrapolation of rectilinear diameter to Tc; TRC
ρc2.798mol/lN/AYoung, 1910Uncertainty assigned by TRC = 0.06 mol/l; TRC
Quantity Value Units Method Reference Comment
Δvap7.010kcal/molN/AMajer and Svoboda, 1985 
Δvap6.96kcal/molN/AReid, 1972AC
Δvap6.960kcal/molCOsborne and Ginnings, 1947ALS

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
6.544331.1N/AMajer and Svoboda, 1985 
6.988 ± 0.003295.8CWaddington, Smith, et al., 1949ALS
6.98 ± 0.02296.CWaddington, Smith, et al., 1949AC
6.91 ± 0.02303.CWaddington, Smith, et al., 1949AC
6.76 ± 0.02313.CWaddington, Smith, et al., 1949AC
6.52 ± 0.02331.CWaddington, Smith, et al., 1949AC
7.07302.MMWillingham, Taylor, et al., 1945Based on data from 287. to 332. K.; AC
6.98 ± 0.02293.CLemons and Felsing, 1943AC
6.74 ± 0.02313.CLemons and Felsing, 1943AC
6.45 ± 0.02333.CLemons and Felsing, 1943AC
6.24 ± 0.02353.CLemons and Felsing, 1943AC

Enthalpy of vaporization

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

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Temperature (K) A (kcal/mol) β Tc (K) Reference Comment
296. to 333.10.160.2518499.9Majer and Svoboda, 1985 

Antoine Equation Parameters

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

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Temperature (K) A B C Reference
287.41 to 331.943.929021127.187-44.2Williamham, Taylor, et al., 1945

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
0.19145.2Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
11.29136.1Domalski and Hearing, 1996CAL
5.289107.
1.31145.2

Enthalpy of phase transition

ΔHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.5664107.crystaline, IIIcrystaline, IAdachi, Suga, et al., 1971c,III has residual entropy of 2.7 J/mol*K.; DH
1.536136.02crystaline, IIcrystaline, IAdachi, Suga, et al., 1971c,II stable form to 10 K; apparently has no zero point entropy.; DH
0.1897145.04crystaline, IliquidAdachi, Suga, et al., 1971DH
1.552136.07crystaline, IIcrystaline, IDouslin and Huffman, 1946DH
0.1914145.19crystaline, IliquidDouslin and Huffman, 1946DH

Entropy of phase transition

ΔStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
5.294107.crystaline, IIIcrystaline, IAdachi, Suga, et al., 1971c,III; DH
11.29136.02crystaline, IIcrystaline, IAdachi, Suga, et al., 1971c,II; DH
1.31145.04crystaline, IliquidAdachi, Suga, et al., 1971DH
11.41136.07crystaline, IIcrystaline, IDouslin and Huffman, 1946DH
1.32145.19crystaline, IliquidDouslin and Huffman, 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:


Gas phase ion energetics data

Go To: Top, 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:
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

Ionization energy determinations

IE (eV) Method Reference Comment
10.04ESTLuo and Pacey, 1992LL
9.79EQLias, Ausloos, et al., 1976LLK
10.02PIWatanabe, Nakayama, et al., 1962RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C3H6+10.70 ± 0.02C3H8PISteiner, Giese, et al., 1961RDSH
C3H7+11.40 ± 0.07C3H7PISteiner, Giese, et al., 1961RDSH
C5H10+10.54 ± 0.03CH4PISteiner, Giese, et al., 1961RDSH
C5H11+10.72 ± 0.085CH3PISteiner, Giese, et al., 1961RDSH

References

Go To: Top, Phase change data, Gas phase ion energetics data, Notes

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

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]

Genco, Teja, et al., 1980
Genco, J.M.; Teja, A.S.; Kay, W.B., Study of the critical and azeotropic behavior of binary mixtures I critical states of perfluoromethylcyclohexane + isomeric hexane systems, J. Chem. Eng. Data, 1980, 25, 350. [all data]

Kay, 1946
Kay, W.B., The Vapor Pressures and Saturated Liquid and Vapor Densities of the Isomeric Hexanes, J. Am. Chem. Soc., 1946, 68, 1336. [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]

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]

Osborne and Ginnings, 1947
Osborne, N.S.; Ginnings, D.C., Measurements of heat of vaporization and heat capacity of a number of hydrocarbons, J. Res. NBS, 1947, 39, 453-477. [all data]

Waddington, Smith, et al., 1949
Waddington, G.; Smith, J.C.; Scott, D.W.; Huffman, H.M., Experimental vapor heat capacities and heats of vaporization of 2-methylpentane, 3-methylpentane and 2,3-dimethylbutane, J. Am. Chem. Soc., 1949, 71, 3902-3906. [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]

Lemons and Felsing, 1943
Lemons, Joe Fred; Felsing, W.A., The Heats of Vaporization of Some Hexanes 1, J. Am. Chem. Soc., 1943, 65, 1, 46-48, https://doi.org/10.1021/ja01241a015 . [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]

Adachi, Suga, et al., 1971
Adachi, K.; Suga, H.; Seki, S., Calorimetric study of the glassy state. VI. Phase changes in crystalline and glassy-crystalline 2,3-dimethylbutane, Bull. Chem. Soc. Japan, 1971, 44, 78-89. [all data]

Douslin and Huffman, 1946
Douslin, D.R.; Huffman, H.M., Low-temperature thermal data on the five isometric hexanes, J. Am. Chem. Soc., 1946, 68, 1704-1708. [all data]

Luo and Pacey, 1992
Luo, Y.-R.; Pacey, P.D., Effects of alkyl substitution on ionization energies of alkanes and haloalkanes and on heats of formation of their molecular cations. Part 2. Alkanes and chloro-, bromo- and iodoalkanes, Int. J. Mass Spectrom. Ion Processes, 1992, 112, 63. [all data]

Lias, Ausloos, et al., 1976
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]

Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J., Ionization potentials of some molecules, J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]

Steiner, Giese, et al., 1961
Steiner, B.; Giese, C.F.; Inghram, M.G., Photoionization of alkanes. Dissociation of excited molecular ions, J. Chem. Phys., 1961, 34, 189. [all data]


Notes

Go To: Top, Phase change data, Gas phase ion energetics data, References