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Pentane, 2,3-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.

Quantity Value Units Method Reference Comment
Deltafgas-199.2 ± 1.3kJ/molCcbProsen and Rossini, 1945ALS
Deltafgas-198.7kJ/molN/ADavies and Gilbert, 1941Value computed using «DELTA»fHliquid° value of -233.0±1.0 kj/mol from Davies and Gilbert, 1941 and «DELTA»vapH° value of 34.3 kj/mol from Prosen and Rossini, 1945.; DRB

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-233.5 ± 1.3kJ/molCcbProsen and Rossini, 1945ALS
Deltafliquid-233. ± 1.kJ/molCcbDavies and Gilbert, 1941ALS
Quantity Value Units Method Reference Comment
Deltacliquid-4807.8 ± 1.2kJ/molCcbProsen and Rossini, 1945Corresponding «DELTA»fliquid = -233.4 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-4808. ± 1.kJ/molCcbDavies and Gilbert, 1941Corresponding «DELTA»fliquid = -233.6 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid297.1J/mol*KN/AFinke, Messerly, et al., 1976DH
liquid306.3J/mol*KN/AHuffman, Parks, et al., 1930Extrapolation below 70 K, 69.5 J/mol*K. Forms glass at low temperatures. Value includes estimated zero point entropy of 17 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
218.3298.15Finke, Messerly, et al., 1976T = 10 to 400 K.; DH
215.9291.5Huffman, Parks, et al., 1930T = 68 to 292 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:
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

Quantity Value Units Method Reference Comment
Tboil362.9 ± 0.3KAVGN/AAverage of 35 out of 39 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus149.36KN/AAnonymous, 1961Uncertainty assigned by TRC = 0.05 K; TRC
Tfus139.85KN/ABrooks, Cleaton, et al., 1937Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Tc537.3 ± 0.5KN/ADaubert, 1996 
Tc537.29KN/AMcMicking and Kay, 1965Uncertainty assigned by TRC = 0.4 K; TRC
Tc537.KN/AFrancis, 1957Uncertainty assigned by TRC = 1. K; TRC
Tc537.75KN/AEdgar and Calingaert, 1929Uncertainty assigned by TRC = 0.5 K; measured by Keys and Kleinschmidt; TRC
Quantity Value Units Method Reference Comment
Pc29.1 ± 0.5barN/ADaubert, 1996 
Pc29.080barN/AMcMicking and Kay, 1965Uncertainty assigned by TRC = 0.4053 bar; TRC
Pc29.5869barN/AEdgar and Calingaert, 1929Uncertainty assigned by TRC = 0.5066 bar; measured by Keys and Kleinschmidt; TRC
Quantity Value Units Method Reference Comment
Vc0.393l/molN/ADaubert, 1996 
Quantity Value Units Method Reference Comment
rhoc2.54 ± 0.05mol/lN/ADaubert, 1996 
rhoc2.54mol/lN/AMcMicking and Kay, 1965Uncertainty assigned by TRC = 0.05 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap34.3 ± 0.1kJ/molCMajer, Svoboda, et al., 1979AC
Deltavap34.2 ± 0.1kJ/molCOsborne and Ginnings, 1947AC
Deltavap34.23kJ/molCOsborne and Ginnings, 1947, 2ALS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
33.0324.N/AMontón, de la Torre, et al., 1999Based on data from 309. - 371. K.; AC
35.9271.AStephenson and Malanowski, 1987Based on data from 208. - 286. K.; AC
34.5301.AStephenson and Malanowski, 1987Based on data from 286. - 365. K. See also Kkykj and Repas, 1973.; AC
33.4 ± 0.1313.CMajer, Svoboda, et al., 1979AC
32.2 ± 0.1333.CMajer, Svoboda, et al., 1979AC
31.1 ± 0.1353.CMajer, Svoboda, et al., 1979AC
34.4306.N/AForziati, Norris, et al., 1949Based on data from 291. - 364. 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
290.67 - 363.833.986821242.609-50.806Forziati, Norris, et al., 1949, 2Coefficents calculated by NIST from author's data.

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

2-Pentene, 2,3-dimethyl- + Hydrogen = Pentane, 2,3-dimethyl-

By formula: C7H14 + H2 = C7H16

Quantity Value Units Method Reference Comment
Deltar-106.4 ± 1.6kJ/molChydRogers and Dejroongruang, 1989liquid phase; solvent: Cyclohexane
Deltar-113. ± 4.6kJ/molChydLopes, Nunes, et al., 1975liquid phase; solvent: Acetic acid

Heptane = Pentane, 2,3-dimethyl-

By formula: C7H16 = C7H16

Quantity Value Units Method Reference Comment
Deltar-9.1 ± 1.1kJ/molCcbProsen and Rossini, 1941liquid phase; Heat of Isomerization
Deltar-11.7 ± 1.3kJ/molCcbProsen and Rossini, 1941gas phase; Heat of Isomerization

Hydrogen + 1-Butene, 2-ethyl-3-methyl- = Pentane, 2,3-dimethyl-

By formula: H2 + C7H14 = C7H16

Quantity Value Units Method Reference Comment
Deltar-114.0 ± 1.3kJ/molChydRogers and Dejroongruang, 1989liquid phase; solvent: Cyclohexane

Hydrogen + 2-Pentene, 3,4-dimethyl-, (E)- = Pentane, 2,3-dimethyl-

By formula: H2 + C7H14 = C7H16

Quantity Value Units Method Reference Comment
Deltar-108.0 ± 0.4kJ/molChydRogers and Dejroongruang, 1989liquid phase; solvent: Cyclohexane

Hydrogen + 2-Pentene, 3,4-dimethyl-, (Z)- = Pentane, 2,3-dimethyl-

By formula: H2 + C7H14 = C7H16

Quantity Value Units Method Reference Comment
Deltar-108.3 ± 0.4kJ/molChydRogers and Dejroongruang, 1989liquid phase; solvent: Cyclohexane

Hydrogen + 1-Pentene, 2,3-dimethyl- = Pentane, 2,3-dimethyl-

By formula: H2 + C7H14 = C7H16

Quantity Value Units Method Reference Comment
Deltar-113.5 ± 0.7kJ/molChydRogers and Dejroongruang, 1989liquid phase; solvent: Cyclohexane

Hydrogen + 1-Pentene, 3,4-dimethyl- = Pentane, 2,3-dimethyl-

By formula: H2 + C7H14 = C7H16

Quantity Value Units Method Reference Comment
Deltar121.8 ± 0.8kJ/molChydRogers and Dejroongruang, 1989liquid phase; solvent: Cyclohexane

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 Chemical Concepts
NIST MS number 151337

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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]

Finke, Messerly, et al., 1976
Finke, H.L.; Messerly, J.F.; Douslin, D.R., Low-temperature thermal quantities for five alkyl-substituted pentanes, J. Chem. Thermodynam., 1976, 8, 965-983. [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]

Anonymous, 1961
Anonymous, R., Preliminary thermodyn. prop. of FREON-14, E. I. Du Pont, Freon Tech. Bull. T-14, 1961. [all data]

Brooks, Cleaton, et al., 1937
Brooks, D.B.; Cleaton, R.B.; Carter, F.R., Paraffin Hydrocarbons Isolated from Crude Synthetic Isooctane (2,2,4-Trimethylpentane), J. Res. Natl. Bur. Stand. (U. S.), 1937, 19, 319. [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, Svoboda, et al., 1979
Majer, Vladimír; Svoboda, Václav; Hála, Slavoj; Pick, Jirí, Temperature dependence of heats of vaporization of saturated hydrocarbons C5-C8; Experimental data and an estimation method, Collect. Czech. Chem. Commun., 1979, 44, 3, 637-651, https://doi.org/10.1135/cccc19790637 . [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]

Montón, de la Torre, et al., 1999
Montón, Juan B.; de la Torre, Javier; Burguet, M.C.; Muñoz, Rosa; Loras, Sonia, Isobaric Vapor-Liquid Equilibrium in the Systems 2,3-Dimethylpentane + Methyl 1,1-Dimethylethyl Ether, + Diisopropyl Ether and + Methyl 1,1-Dimethylpropyl Ether, J. Chem. Eng. Data, 1999, 44, 6, 1158-1162, https://doi.org/10.1021/je990110p . [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]

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]

Lopes, Nunes, et al., 1975
Lopes, M.T.R.; Nunes, M.F.T.; Florencio, M.H.F.S.; Mota, M.M.G.; Fernandez, M.T.N., Heats of hydrogenation in solution. I. Calorimeter for semimicro determinations, Rev. Port. Quim., 1975, 15, 129-132. [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