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Pentane, 2,4-dimethyl-

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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 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
Deltafgas-202.1 ± 0.96kJ/molCcbProsen and Rossini, 1945ALS
Deltafgas-205.1kJ/molN/ADavies and Gilbert, 1941Value computed using «DELTA»fHliquid° value of -238.0±1.0 kj/mol from Davies and Gilbert, 1941 and «DELTA»vapH° value of 32.9 kj/mol from Prosen and Rossini, 1945.; DRB
Quantity Value Units Method Reference Comment
gas396.73J/mol*KN/AHuffman H.M., 1961GT

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
115.44200.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 good agreement with experimental data available for alkanes. However, large uncertainties could be expected at high temperatures.; GT
157.57273.15
170.8 ± 0.4298.15
171.71300.
220.08400.
261.37500.
296.23600.
326.35700.
352.29800.
374.47900.
394.131000.
411.291100.
426.351200.
439.321300.
451.871400.
464.421500.

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-235.0 ± 0.96kJ/molCcbProsen and Rossini, 1945ALS
Deltafliquid-238. ± 1.kJ/molCcbDavies and Gilbert, 1941ALS
Quantity Value Units Method Reference Comment
Deltacliquid-4806.29 ± 0.84kJ/molCcbProsen and Rossini, 1945Corresponding «DELTA»fliquid = -234.9 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-4802. ± 1.kJ/molCcbDavies and Gilbert, 1941Corresponding «DELTA»fliquid = -238.9 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid303.17J/mol*KN/AHuffman, Gross, et al., 1961DH
liquid291.6J/mol*KN/AHuffman, Parks, et al., 1930Extrapolation below 90 K, 65.90 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
224.22298.15Huffman, Gross, et al., 1961T = 10 to 300 K.; DH
220.9294.4Huffman, Parks, et al., 1930T = 92 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
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
Tboil353.7 ± 0.3KAVGN/AAverage of 42 out of 48 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus153. ± 3.KAVGN/AAverage of 27 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple154. ± 1.KAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Tc519.8 ± 0.5KN/ADaubert, 1996 
Tc519.73KN/AMcMicking and Kay, 1965Uncertainty assigned by TRC = 0.4 K; TRC
Tc521.7KN/AFrancis, 1957Uncertainty assigned by TRC = 2. K; TRC
Tc520.25KN/AEdgar and Calingaert, 1929Uncertainty assigned by TRC = 0.5 K; measured by Keys and Kleinschmidt; TRC
Quantity Value Units Method Reference Comment
Pc27.4 ± 0.5barN/ADaubert, 1996 
Pc27.367barN/AMcMicking and Kay, 1965Uncertainty assigned by TRC = 0.4053 bar; TRC
Pc27.763barN/AEdgar and Calingaert, 1929Uncertainty assigned by TRC = 0.5066 bar; measured by Keys and Kleinschmidt; TRC
Quantity Value Units Method Reference Comment
Vc0.418l/molN/ADaubert, 1996 
Quantity Value Units Method Reference Comment
rhoc2.40 ± 0.05mol/lN/ADaubert, 1996 
rhoc2.40mol/lN/AMcMicking and Kay, 1965Uncertainty assigned by TRC = 0.05 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap33.02kJ/molN/AMajer and Svoboda, 1985 
Deltavap32.7 ± 0.1kJ/molCSvoboda, 1998AC
Deltavap32.9 ± 0.1kJ/molCOsborne and Ginnings, 1947AC
Deltavap32.88kJ/molCOsborne and Ginnings, 1947, 2ALS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
29.55353.7N/AMajer and Svoboda, 1985 
32.3 ± 0.1308.CSvoboda, 1998AC
31.9 ± 0.1315.CSvoboda, 1998AC
31.5 ± 0.1323.CSvoboda, 1998AC
31.0 ± 0.1330.CSvoboda, 1998AC
30.6 ± 0.1338.CSvoboda, 1998AC
30.0 ± 0.1348.CSvoboda, 1998AC
33.3299.AStephenson and Malanowski, 1987Based on data from 284. - 355. K. See also Kkykj and Repas, 1973.; AC
33.2302.N/AForziati, Norris, et al., 1949Based on data from 287. - 354. K.; AC

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
286.86 - 354.523.96121197.608-50.877Forziati, Norris, et al., 1949, 2Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
6.845153.97Huffman, Gross, et al., 1961DH
6.85154.Domalski and Hearing, 1996AC
6.694152.5Huffman, Parks, et al., 1930DH

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
44.46153.97Huffman, Gross, et al., 1961DH
43.90152.5Huffman, Parks, 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

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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 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-Pentene, 2,4-dimethyl- = Pentane, 2,4-dimethyl-

By formula: H2 + C7H14 = C7H16

Quantity Value Units Method Reference Comment
Deltar-114.6 ± 1.2kJ/molChydRogers and Dejroongruang, 1989liquid phase; solvent: Cyclohexane
Deltar-112.kJ/molChydTurner, Nettleton, et al., 1958liquid phase; solvent: Acetic acid

Hydrogen + 2-Pentene, 2,4-dimethyl- = Pentane, 2,4-dimethyl-

By formula: H2 + C7H14 = C7H16

Quantity Value Units Method Reference Comment
Deltar-109.4 ± 1.2kJ/molChydRogers and Dejroongruang, 1989liquid phase; solvent: Cyclohexane
Deltar-105.kJ/molChydTurner, Nettleton, et al., 1958liquid phase; solvent: Acetic acid

Heptane = Pentane, 2,4-dimethyl-

By formula: C7H16 = C7H16

Quantity Value Units Method Reference Comment
Deltar-10.6 ± 0.67kJ/molCcbProsen and Rossini, 1941liquid phase; Heat of Isomerization
Deltar-14.2 ± 0.92kJ/molCcbProsen and Rossini, 1941gas phase; Heat of Isomerization

IR Spectrum

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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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Gas Phase Spectrum

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IR 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, 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.
NIST MS number 1043

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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.

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]

Davies and Gilbert, 1941
Davies, G.F.; Gilbert, E.C., Heats of combustion and formation of the nine isomeric heptanes in the liquid state, J. Am. Chem. Soc., 1941, 63, 2730-2732. [all data]

Huffman H.M., 1961
Huffman H.M., Low temperature thermodynamic properties of six isomeric heptanes, J. Phys. Chem., 1961, 65, 495-503. [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]

Huffman, Gross, et al., 1961
Huffman, H.M.; Gross, M.E.; Scott, D.W.; McCullough, I.P., Low temperature thermodynamic properties of six isomeric heptanes, J. Phys. Chem., 1961, 65, 495-503. [all data]

Huffman, Parks, et al., 1930
Huffman, H.M.; Parks, G.S.; Thomas, S.B., Thermal data on organic compounds. VIII. The heat capacities, entropies and free energies of the isomeric heptanes, J. Am. Chem. Soc., 1930, 52, 3241-3251. [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]

McMicking and Kay, 1965
McMicking, J.H.; Kay, W.B., Vapor Pressures and Saturated Liquid and Vapor Densities of The Isomeric Heptanes and Isomeric Octanes, Proc., Am. Pet. Inst., Sect. 3, 1965, 45, 75-90. [all data]

Francis, 1957
Francis, A.W., Pressure-Temperature-Liquid Density Relations of Pure Hydrocarbons, Ind. Eng. Chem., 1957, 49, 1779. [all data]

Edgar and Calingaert, 1929
Edgar, G.; Calingaert, G., Preparation and Properties of the Isomeric Heptanes II. Physical Prop. properties, J. Am. Chem. Soc., 1929, 51, 1540. [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]

Svoboda, 1998
Svoboda, V., Enthalpies of vaporization, and the cohesive and internal energies of 2,2-dimethylpentane, 2,4-dimethylpentane, 2,2,3-trimethylpentane, 2,3,3-trimethylpentane, and 3-ethylpentane, The Journal of Chemical Thermodynamics, 1998, 30, 11, 1411-1417, https://doi.org/10.1006/jcht.1998.0414 . [all data]

Osborne and Ginnings, 1947
Osborne, Nathan S.; Ginnings, Defoe C., Measurements of heat of vaporization and heat capacity of a number of hydrocarbons, J. RES. NATL. BUR. STAN., 1947, 39, 5, 453-17, https://doi.org/10.6028/jres.039.031 . [all data]

Osborne and Ginnings, 1947, 2
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]

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]

Kkykj and Repas, 1973
Kkykj, J.; Repas, M., Petrochemia, 1973, 13, 179. [all data]

Forziati, Norris, et al., 1949
Forziati, Alphonse F.; Norris, William R.; Rossini, Frederick D., Vapor pressures and boiling points of sixty API-NBS hydrocarbons, J. RES. NATL. BUR. STAN., 1949, 43, 6, 555-17, https://doi.org/10.6028/jres.043.050 . [all data]

Forziati, Norris, et al., 1949, 2
Forziati, A.F.; Norris, W.R.; Rossini, F.D., Vapor Pressures and Boiling Points of Sixty API-NBS Hydrocarbons, J. Res. Natl. Bur. Stand. (U.S.), 1949, 43, 6, 555-563, https://doi.org/10.6028/jres.043.050 . [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]

Rogers and Dejroongruang, 1989
Rogers, D.W.; Dejroongruang, K., Enthalpies of hydrogenation of the dimethylpentenes, ethylpentenes, methylbutene, and trimethylbutene, J. Chem. Thermodyn., 1989, 21, 1115-1120. [all data]

Turner, Nettleton, et al., 1958
Turner, R.B.; Nettleton, J.E.; Perelman, Heats of Hydrogenation. VI. Heats of hydrogenation of some substituted ethylenes, J. Am. Chem. Soc., 1958, 80, 1430-1433. [all data]

Prosen and Rossini, 1941
Prosen, E.J.R.; Rossini, F.D., Heats of isomerization of the nine heptanes, J. Res. NBS, 1941, 27, 519-528. [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