2-Propenenitrile

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Gas 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:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas41.25kcal/molN/ABaroody and Carpenter, 1972Value computed using ΔfHliquid° value of 140.0 kj/mol from Baroody and Carpenter, 1972 and ΔvapH° value of 32.6 kj/mol from Hall and Baldt, 1971.; DRB
Δfgas42.95kcal/molCcrHall and Baldt, 1971ALS

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
Δfliquid33.5kcal/molCcbBaroody and Carpenter, 1972ALS
Δfliquid35.16kcal/molCcrHall and Baldt, 1971ALS
Quantity Value Units Method Reference Comment
Δcliquid-419.79 ± 0.10kcal/molCcrHall and Baldt, 1971ALS
Δcliquid-420.5 ± 0.7kcal/molCcbDavis and Wiedeman, 1945ALS
Quantity Value Units Method Reference Comment
liquid42.761cal/mol*KN/AFinke, Messerly, et al., 1972DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
23.6298.15Mirzaliev, Shakhuradov, et al., 1987T = 213 to 333 K. Unsmoothed experimental datum given as 1.898 kJ/kg*K at 293 K. Cp(liq) = 2.05105 + 0.00465503T/K + 1.34722x10-5T2/K2 kJ/kg*K (213 to 333 K). Note, second coefficient should be negative.; DH
25.999298.15Finke, Messerly, et al., 1972T = 12 to 350 K.; DH
25.50297.Hall and Baldt, 1971DH
27.0298.Davis and Wiedeman, 1945DH

Mass spectrum (electron ionization)

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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

Spectrum

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Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Japan AIST/NIMC Database- Spectrum MS-NW-2179
NIST MS number 228280

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References

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

Baroody and Carpenter, 1972
Baroody, E.E.; Carpenter, G.A., Heats of formation of propellant compounds (U), Rpt. Naval Ordnance Systems Command Task No. 331-003/067-1/UR2402-001 for Naval Ordance Station, Indian Head, MD, 1972, 1-9. [all data]

Hall and Baldt, 1971
Hall, H.K., Jr.; Baldt, J.H., Thermochemistry of strained-ring bridgehead nitriles and esters, J. Am. Chem. Soc., 1971, 93, 140-145. [all data]

Davis and Wiedeman, 1945
Davis, H.S.; Wiedeman, O.F., Physical properties of acrylonitrile, Ind. Chim. Belge, 1945, 37, 482-485. [all data]

Finke, Messerly, et al., 1972
Finke, H.L.; Messerly, J.F.; Todd, S.S., Thermodynamic properties of acrylonitrile, 1-aminopropane, 2-aminopropane, and 2-methyl-2-aminopropane, J. Chem. Thermodynam., 1972, 4, 359-374. [all data]

Mirzaliev, Shakhuradov, et al., 1987
Mirzaliev, A.A.; Shakhuradov, Sh.G.; Guseinov, S.O., Investigation of the isobaric heat capacity of nitriles at different temperatures, Izv. Vyssh. Ucheb. Zaved., Neft i Gaz, 1987, 30(4), 55-58. [all data]


Notes

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