1,2-Pentadiene

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Δfgas140.6 ± 0.67kJ/molCmFraser and Prosen, 1955ALS
Quantity Value Units Method Reference Comment
Δcgas-3251.6 ± 0.63kJ/molCmFraser and Prosen, 1955Corresponding Δfgas = 140.7 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
gas334.80J/mol*KN/AMesserly J.F., 1970GT

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
37.950.Thermodynamics Research Center, 1997GT
54.0100.
66.4150.
77.3200.
94.6273.15
101.00298.15
101.4300.
126.6400.
149.3500.
168.6600.
185.0700.
199.800.
211.900.
221.1000.
230.1100.
238.1200.
245.1300.
251.1400.
256.1500.

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 by: Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
liquid244.97J/mol*KN/AMesserly, Todd, et al., 1970 

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
150.83298.15Messerly, Todd, et al., 1970T = 12 to 320 K.

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
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil318.1KN/AAnonymous, 1959Uncertainty assigned by TRC = 0.4 K; TRC
Tboil319.KN/AJacobs, Akawie, et al., 1951Uncertainty assigned by TRC = 2. K; TRC
Tboil318.KN/ABouis, 1928Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Tfus135.880KN/AAnonymous, 1959Uncertainty assigned by TRC = 0.03 K; TRC
Tfus135.870KN/AAnonymous, 1959Uncertainty assigned by TRC = 0.04 K; TRC
Tfus135.890KN/AAnonymous, 1959Uncertainty assigned by TRC = 0.02 K; TRC
Tfus135.840KN/AStreiff, Soule, et al., 1950Uncertainty assigned by TRC = 0.03 K; TRC
Tfus135.820KN/AStreiff, Soule, et al., 1950Uncertainty assigned by TRC = 0.04 K; TRC
Quantity Value Units Method Reference Comment
Ttriple135.89KN/AMesserly, Todd, et al., 1970, 2Uncertainty assigned by TRC = 0.05 K; TRC
Quantity Value Units Method Reference Comment
Δvap28.7kJ/molN/AReid, 1972AC

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
31.6240.AStephenson and Malanowski, 1987Based on data from 231. to 249. K.; AC
30.6264.AStephenson and Malanowski, 1987Based on data from 249. to 331. K.; AC
32.2231.IPOsborn and Douslin, 1969Based on data from 213. to 245. K.; AC
29.1300.MMForziati, Camin, et al., 1950Based on data from 285. to 319. 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
213.14 to 244.664.061221125.536-41.27Osborn and Douslin, 1969Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
7.5592135.89Messerly, Todd, et al., 1970DH
7.56135.9Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
55.628135.89Messerly, Todd, et al., 1970DH

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

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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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C5H8+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
9.25 ± 0.02PEBieri, Burger, et al., 1977LLK
9.42EICollin and Lossing, 1959RDSH
9.22PEKroner, Kosbahn, et al., 1977Vertical value; LLK

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 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, Gas phase ion energetics data, IR Spectrum, UV/Visible 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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Due to licensing restrictions, this spectrum cannot be downloaded.

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 NIST Mass Spectrometry Data Center, 1990.
NIST MS number 114488

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


UV/Visible 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: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Jones and Taylor, 1955
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 816
Instrument Beckman DU
Melting point -137.3
Boiling point 44.9

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Notes

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

Fraser and Prosen, 1955
Fraser, F.M.; Prosen, E.J., Heats of combustion and isomerization of six pentadienes and spiropentane, J. Res. NBS, 1955, 54, 143-148. [all data]

Messerly J.F., 1970
Messerly J.F., Chemical thermodynamic properties of the pentadienes. Third law studies, J. Chem. Eng. Data, 1970, 15, 227-232. [all data]

Thermodynamics Research Center, 1997
Thermodynamics Research Center, Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]

Messerly, Todd, et al., 1970
Messerly, J.F.; Todd, S.S.; Guthrie, G.B., Chemical thermodynamic properties of the pentadienes, J. Chem. Eng. Data, 1970, 15, 227-232. [all data]

Anonymous, 1959
Anonymous, R., , Am. Pet. Inst. Res. Proj. 6, Carnegie-Mellon Univ., 1959. [all data]

Jacobs, Akawie, et al., 1951
Jacobs; Akawie; Copper, Rearrangements Involving 1-Pentyne, 2-Pentyne and 1,2-Pentadiene, J. Am. Chem. Soc., 1951, 73, 1273. [all data]

Bouis, 1928
Bouis, M., Ann. Chim. (Paris), 1928, 9, 402. [all data]

Streiff, Soule, et al., 1950
Streiff, A.J.; Soule, L.F.; Kennedy, C.M.; Janes, M.E.; Sedlak, V.A.; Willingham, C.B.; Rossini, F.D., Purification, purity, and freezing points of twenty-nine hydrocarbons of the API-standard and API-NBS series., J. Res. Natl. Bur. Stand. (U. S.), 1950, 45, 173. [all data]

Messerly, Todd, et al., 1970, 2
Messerly, J.F.; Todd, S.S.; Guthrie, G.B., Chemical thermodynamic properties of the pentadienes. Third law studies., J. Chem. Eng. Data, 1970, 15, 227-32. [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]

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]

Osborn and Douslin, 1969
Osborn, Ann G.; Douslin, Donald R., Vapor pressure relations for the seven pentadienes, J. Chem. Eng. Data, 1969, 14, 2, 208-209, https://doi.org/10.1021/je60041a010 . [all data]

Forziati, Camin, et al., 1950
Forziati, A.F.; Camin, D.L.; Rossini, F.D., Density, refractive index, boiling point, and vapor pressure of eight monoolefin (1-alkene), six pentadiene, and two cyclomonoolefin hydrocarbons, J. RES. NATL. BUR. STAN., 1950, 45, 5, 406, https://doi.org/10.6028/jres.045.044 . [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]

Bieri, Burger, et al., 1977
Bieri, G.; Burger, F.; Heilbronner, E.; Maier, J.P., Valence ionization enrgies of hydrocarbons, Helv. Chim. Acta, 1977, 60, 2213. [all data]

Collin and Lossing, 1959
Collin, J.; Lossing, F.P., Ionization potentials of some olefins, di-olefins and branched paraffins, J. Am. Chem. Soc., 1959, 81, 2064. [all data]

Kroner, Kosbahn, et al., 1977
Kroner, J.; Kosbahn, W.; Runge, W., The molecular structure of allenes and ketenes, IX[1]π and σ interactions in allenes: Photoelectron spectra, electronic absorption spectra, and quantum chemical calculations, Ber. Bunsen-Ges. Phys. Chem., 1977, 81, 826. [all data]

Jones and Taylor, 1955
Jones, L.C., Jr.; Taylor, L.W., Far ultraviolet absorption spectra of unsaturated and aromatic hydrocarbons, Anal. Chem., 1955, 27, 2, 228-237. [all data]


Notes

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