Pentanenitrile

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Gas phase thermochemistry data

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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas11.1kJ/molCcbKonicek, Prochzka, et al., 1969 

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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfliquid-33.2kJ/molCcbKonicek, Prochzka, et al., 1969 
Quantity Value Units Method Reference Comment
Δcliquid-3220.7 ± 1.3kJ/molCcbKonicek, Prochzka, et al., 1969 

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
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil414. ± 1.KAVGN/AAverage of 18 out of 21 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus176.92KN/AWitschonke, 1954Uncertainty assigned by TRC = 0.2 K; TRC
Tfus176.95KN/AWitschonke, 1954Uncertainty assigned by TRC = 0.15 K; TRC
Tfus176.37KN/ADreisbach and Martin, 1949Uncertainty assigned by TRC = 0.05 K; TRC
Tfus177.KN/ATimmermans, 1935Uncertainty assigned by TRC = 2. K; TRC
Tfus177.KN/AJoukovsky, 1934Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Tc610.3KN/ACastillo-Lopez and Trejo Rodriguez, 1987Uncertainty assigned by TRC = 0.2 K; Visual, TE with digital voltmeter cal. by meas. on alkanes.; TRC
Quantity Value Units Method Reference Comment
Pc35.80barN/ACastillo-Lopez and Trejo Rodriguez, 1987Uncertainty assigned by TRC = 0.10 bar; Visual; TRC
Quantity Value Units Method Reference Comment
Δvap44.0 ± 0.6kJ/molAVGN/AAverage of 6 values; Individual data points

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
36.09414.4N/AMajer and Svoboda, 1985 
42.3328.AStephenson and Malanowski, 1987Based on data from 313. to 418. K.; AC
44.2342. to 414.EBDreisbach and Shrader, 1949See also Dreisbach and Martin, 1949, 2 and Emel'yanenko, Verevkin, et al., 2005.; 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
342.22 to 414.404.192141495.126-57.288Dreisbach and Shrader, 1949Coefficents 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:


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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

View reactions leading to C5H9N+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
Proton affinity (review)802.4kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity771.7kJ/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Reference Comment
0.012620 ± 0.000087Hammer, Diri, et al., 2003B

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C2H3N+12.26?EIHeerma, deRidder, et al., 1969RDSH
C3H4N+12.12?EIHeerma, deRidder, et al., 1969RDSH
C3H5+13.73?EIHeerma, deRidder, et al., 1969RDSH
C3H5N+12.49?EIHeerma, deRidder, et al., 1969RDSH
C3H7+12.50?EIHeerma, deRidder, et al., 1969RDSH
C4H7+14.43HCN+HEIHeerma, deRidder, et al., 1969RDSH
C5H8N+12.47HEIHeerma, deRidder, et al., 1969RDSH

References

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

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

Konicek, Prochzka, et al., 1969
Konicek, J.; Prochzka, M.; Krestanov, V.; Smisek, M., Thermochemie der nitrile I. Über die bildungswärmen aliphatischer nitrile, Collect. Czech. Chem. Commun., 1969, 34, 2249-2257. [all data]

Witschonke, 1954
Witschonke, C.R., Freezing point and purity data for some organic compounds, Anal. Chem., 1954, 26, 562-4. [all data]

Dreisbach and Martin, 1949
Dreisbach, R.R.; Martin, R.A., Physical Data on Some Organic Compounds, Ind. Eng. Chem., 1949, 41, 2875-8. [all data]

Timmermans, 1935
Timmermans, J., Researches in Stoichiometry. I. The Heat of Fusion of Organic Compounds., Bull. Soc. Chim. Belg., 1935, 44, 17-40. [all data]

Joukovsky, 1934
Joukovsky, N.I., Experimental Study of the Theory of Concentrated Solutions. XI. Thermodynamic Properties of Concentrated Solutions of Aliphatic Organic Compounds Containing Nitrogen., Bull. Soc. Chim. Belg., 1934, 43, 397. [all data]

Castillo-Lopez and Trejo Rodriguez, 1987
Castillo-Lopez, N.; Trejo Rodriguez, A., The critical temperatures and pressures of several n-alkanenitriles, J. Chem. Thermodyn., 1987, 19, 671. [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]

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]

Dreisbach and Shrader, 1949
Dreisbach, R.R.; Shrader, S.A., Vapor Pressure--Temperature Data on Some Organic Compounds, Ind. Eng. Chem., 1949, 41, 12, 2879-2880, https://doi.org/10.1021/ie50480a054 . [all data]

Dreisbach and Martin, 1949, 2
Dreisbach, R.R.; Martin, R.A., Physical Data on Some Organic Compounds, Ind. Eng. Chem., 1949, 41, 12, 2875-2878, https://doi.org/10.1021/ie50480a053 . [all data]

Emel'yanenko, Verevkin, et al., 2005
Emel'yanenko, Vladimir N.; Verevkin, Sergey P.; Koutek, Bohumir; Doubsky, Jan, Vapour pressures and enthalpies of vapourization of a series of the linear aliphatic nitriles, The Journal of Chemical Thermodynamics, 2005, 37, 1, 73-81, https://doi.org/10.1016/j.jct.2004.08.004 . [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Hammer, Diri, et al., 2003
Hammer, N.I.; Diri, K.; Jordan, K.D.; Desfrancois, C.; Compton, R.N., Dipole-bound anions of carbonyl, nitrile, and sulfoxide containing molecules, J. Chem. Phys., 2003, 119, 7, 3650-3660, https://doi.org/10.1063/1.1590959 . [all data]

Heerma, deRidder, et al., 1969
Heerma, W.; deRidder, J.J.; Dijkstra, G., The electron-impact-induced fragmentation of n-alkyl cyanides, Org. Mass Spectrom., 1969, 2, 1103. [all data]


Notes

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