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Pentane, 3,3-diethyl-

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Gas phase thermochemistry data

Go To: Top, 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: Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
gas104.33cal/mol*KN/AFinke H.L., 1976 

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
36.781200.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.
48.131273.15
51.8 ± 1.0298.15
52.070300.
66.040400.
78.511500.
89.300600.
98.599700.
106.50800.
113.40900.
119.301000.
124.501100.
129.001200.
133.001300.
137.001400.
140.001500.

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
Deltacliquid-1463.79 ± 0.38kcal/molCcbJohnson, Prosen, et al., 1947Corresponding «DELTA»fliquid = -65.82 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid79.68cal/mol*KN/AFinke, Messerly, et al., 1976DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
66.49298.15Fuchs and Peacock, 1979DH
66.63298.15Finke, Messerly, et al., 1976T = 10 to 400 K.; DH
62.36260.Staveley, Warren, et al., 1954T = 90 to 260 K.; 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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
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
Tboil419.3 ± 0.4KAVGN/AAverage of 12 out of 13 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus241. ± 2.KAVGN/AAverage of 13 out of 14 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple240.1KN/AFinke, Messerly, et al., 1976, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.03 K; TRC
Ttriple240.13KN/AStaveley, Warren, et al., 1954, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.2 K; TRC
Ttriple240.11KN/AWaddington, 1950Crystal phase 1 phase; Uncertainty assigned by TRC = 0.04 K; TRC
Quantity Value Units Method Reference Comment
Deltavap10.05kcal/molN/AMajer and Svoboda, 1985 
Deltavap10.17 ± 0.08kcal/molCFuchs and Peacock, 1979ALS
Deltavap10.2 ± 0.07kcal/molGCCFuchs and Peacock, 1979AC
Deltavap10.4kcal/molN/AReid, 1972See also Labbauf, Greenshields, et al., 1961.; AC

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
9.51350.AStephenson and Malanowski, 1987Based on data from 335. - 426. K. See also Forziati, Norris, et al., 1949.; AC
8.272419.4N/AMajer and Svoboda, 1985 

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
336.03 - 420.344.022321458.142-56.803Forziati, Norris, et al., 1949, 2Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
2.412240.1Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
0.554208.3Domalski and Hearing, 1996CAL
0.920210.4
10.04240.1

Enthalpy of phase transition

DeltaHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.1156208.25crystaline, IIIcrystaline, IIFinke, Messerly, et al., 1976DH
0.1937210.4crystaline, IIcrystaline, IFinke, Messerly, et al., 1976DH
2.41150240.10crystaline, IliquidFinke, Messerly, et al., 1976DH
0.3040210.1crystaline, IIcrystaline, IStaveley, Warren, et al., 1954Combined heats of transition for multiple phases.; DH
2.3979240.13crystaline, IliquidStaveley, Warren, et al., 1954Combined entropies of fusion and transition.; DH

Entropy of phase transition

DeltaStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
0.554208.25crystaline, IIIcrystaline, IIFinke, Messerly, et al., 1976DH
0.920210.4crystaline, IIcrystaline, IFinke, Messerly, et al., 1976DH
10.04240.10crystaline, IliquidFinke, Messerly, et al., 1976DH
11.43240.13crystaline, IliquidStaveley, Warren, et al., 1954Combined; DH

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:


IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, 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: 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 NIST Mass Spectrometry Data Center
State gas
Instrument HP-GC/MS/IRD

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, 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 2643

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References

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

Finke H.L., 1976
Finke H.L., Low-temperature thermal quantities for five alkyl-substituted pentanes, J. Chem. Thermodyn., 1976, 8, 965-983. [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]

Johnson, Prosen, et al., 1947
Johnson, W.H.; Prosen, E.J.; Rossini, F.D., Heats of combustion and isomerization of six nonanes, J. Res. NBS, 1947, 38, 419-422. [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]

Fuchs and Peacock, 1979
Fuchs, R.; Peacock, L.A., Heats of vaporization and gaseous heats of formation of some five- and six-membered ring alkenes, Can. J. Chem., 1979, 57, 2302-2304. [all data]

Staveley, Warren, et al., 1954
Staveley, L.A.K.; Warren, J.B.; Paget, H.P.; Dowrick, D.J., Some thermodynamic properties of compounds of the formula MX4. Part II. Tetra-alkyl compounds, 1954, J. [all data]

Finke, Messerly, et al., 1976, 2
Finke, H.L.; Messerly, J.F.; Douslin, D.R., Low-Temp. Thermal Quantities for Five Alkyl-Substituted Pentanes, J. Chem. Thermodyn., 1976, 8, 965. [all data]

Staveley, Warren, et al., 1954, 2
Staveley, L.A.K.; Warren, J.B.; Paget, H.P.; Dowrick, D.J., Some Thermodynamic Properties of Compounds of the Formula MX4 II. Tetraalkyl Compounds, J. Chem. Soc., 1954, 1954, 1992. [all data]

Waddington, 1950
Waddington, G., Personal Commun., U. S. Bur. Mines, Bartlesville, OK, March 2, 1950. [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]

Labbauf, Greenshields, et al., 1961
Labbauf, A.; Greenshields, J.B.; Rossini, F.D., Heats of formation, combustion, and vaporization of the 35 nonanes and 75 decanes, J. Chem. Eng. Data, 1961, 6, 261-263. [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]

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]


Notes

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