1-Pentene, 2,4,4-trimethyl-

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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
Δcliquid-1264.12 ± 0.16kcal/molCcbRockenfeller and Rossini, 1961Derived from the ratio of Heat of combustion; Corresponding Δfliquid = -34.81 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-1264.99kcal/molCcbBanse and Parks, 1933Corresponding Δfliquid = -33.94 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid73.21cal/mol*KN/AParks, Todd, et al., 1936Extrapolation below 90 K, 59.75 J/mol*K.; DH
liquid74.50cal/mol*KN/AParks, Todd, et al., 1936Extrapolation below 80 K, 62.51 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
56.250296.0Parks, Todd, et al., 1936T = 81 to 296 K. Value is unsmoothed experimental datum.; DH
57.409298.6Parks, Todd, et al., 1936T = 81 TO 296 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
Tboil375. ± 2.KAVGN/AAverage of 21 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus179.5 ± 0.2KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple178.9KN/AParks, Todd, et al., 1936, 2Uncertainty assigned by TRC = 0.2 K; TRC
Ttriple172.KN/AParks and Huffman, 1931Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Δvap8.53kcal/molEBMalanowski, 2007Based on data from 306. to 356. K.; AC
Δvap8.53kcal/molN/AReid, 1972AC
Δvap8.53kcal/molVCamin and Rossini, 1960ALS

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
8.01358.AStephenson and Malanowski, 1987Based on data from 343. to 381. K.; AC
8.39316.MMCamin and Rossini, 1960, 2Based on data from 301. to 375. K.; AC

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
2.10178.9Domalski and Hearing, 1996AC
2.095178.9Parks, Todd, et al., 1936DH
1.624166.Parks, Todd, et al., 1936DH

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
11.71178.9Parks, Todd, et al., 1936DH
9.78166.Parks, Todd, et al., 1936DH

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, 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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference
8.909 ± 0.005PEMasclet, Grosjean, et al., 1973

Mass spectrum (electron ionization)

Go To: Top, Condensed phase thermochemistry data, Phase change data, 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 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 63140

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References

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

Rockenfeller and Rossini, 1961
Rockenfeller, J.D.; Rossini, F.D., Heats of combustion, isomerization, and formation of selected C7, C8, and C10 monoolefin hydrocarbons, J. Phys. Chem., 1961, 65, 267-272. [all data]

Banse and Parks, 1933
Banse, H.; Parks, G.S., Thermal data on organic compounds. XII. The heats of combustion of nine hydrocarbons, J. Am. Chem. Soc., 1933, 55, 3223-3227. [all data]

Parks, Todd, et al., 1936
Parks, G.S.; Todd, S.S.; Shomate, C.H., Thermal data on organic compounds. XVII. Some heat capacity, entropy and free energy data for five higher olefins, J. Am. Chem. Soc., 1936, 58, 2505-2508. [all data]

Parks, Todd, et al., 1936, 2
Parks, G.S.; Todd, S.S.; Shomate, C.H., Thermal data on organic compounds. XVII. Some heat capacity, entropy and free energy data for five higher olefins, J. Am. Chem. Soc., 1936, 58, 2505. [all data]

Parks and Huffman, 1931
Parks, G.S.; Huffman, H.M., Some fusion and transition data for hydrocarbons, Ind. Eng. Chem., 1931, 23, 1138-9. [all data]

Malanowski, 2007
Malanowski, Stanislaw K., Vapor-Liquid Equilibrium for Benzaldehyde with 1-Methylethylbenzene and for 2-Methyl-propan-2-ol with 2,4,4-Trimethyl-1-pentene, J. Chem. Eng. Data, 2007, 52, 1, 239-243, https://doi.org/10.1021/je060359o . [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]

Camin and Rossini, 1960
Camin, D.L.; Rossini, F.D., Physical properties of to selected C7 and C8 alkene hydrocarbons, J. Chem. Eng. Data, 1960, 5, 368. [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]

Camin and Rossini, 1960, 2
Camin, D.L.; Rossini, F.D., Physical Properties of 16 Selected C 7 and C 8 Alkene Hydrocarbons., J. Chem. Eng. Data, 1960, 5, 3, 368-372, https://doi.org/10.1021/je60007a037 . [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]

Masclet, Grosjean, et al., 1973
Masclet, P.; Grosjean, D.; Mouvier, G., Alkene ionization potentials. Part I. Quantitative determination of alkyl group structural effects, J. Electron Spectrosc. Relat. Phenom., 1973, 2, 225. [all data]


Notes

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