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1H-Tetrazole, 1-methyl-

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), NIST Free Links, 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
Deltafgas77.17 ± 0.48kcal/molCcbKozyro, Simirskii, et al., 1990 

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
Deltafsolid56.1 ± 0.1kcal/molCcbKozyro, Simirskii, et al., 1990 
Quantity Value Units Method Reference Comment
Deltacsolid-380.83 ± 0.1kcal/molCcbKozyro, Simirskii, et al., 1990 

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, Kenneth Kroenlein 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
Ttriple315.KN/AKozyro, Simirskii, et al., 1990, 2Uncertainty assigned by TRC = 1. K; Det. with triple heat bridge; TRC
Ttriple316.0KN/AVorob'eva, 1990Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Deltasub21.1 ± 0.45kcal/molCKozyro, Simirskii, et al., 1990ALS
Deltasub21.1kcal/molN/AKozyro, Simirskii, et al., 1990DRB

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
20.7 ± 0.45282. - 311.MEKozyro, Simirskii, et al., 1990, 3AC

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
3.75315.Kozyro, Simirskii, et al., 1990, 4AC

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

View reactions leading to C2H4N4+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference
10.3PEPalmer, Simpson, et al., 1981

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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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 541

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References

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

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

Kozyro, Simirskii, et al., 1990
Kozyro, A.A.; Simirskii, V.V.; Krasulin, A.P.; Sevruk, V.M.; Kabo, G.Ya.; Frenkel, M.L.; Gaponik, P.N.; Grigor'ev, Yu.V., Thermodynamic properties of tetrazole derivatives in different aggregation states, Russ. J. Phys. Chem. (Engl. Transl.), 1990, 64, 348-350. [all data]

Kozyro, Simirskii, et al., 1990, 2
Kozyro, A.A.; Simirskii, V.V.; Kabo, G.Y.; Frenkel, M.L.; Krasulin, A.P.; Sevruk, V.M.; Sokolov, N.A., Additivity of the thermochemical characteristics of tetraalklyl-substituted carbamides, Zh. Fiz. Khim., 1990, 64, 2360. [all data]

Vorob'eva, 1990
Vorob'eva, V.P., Enthalpies of phase transitions of tetrazole derivatives in Vses. Konf. Term. Org. Soedin. 6th, Minsk, p 31, 1990. [all data]

Kozyro, Simirskii, et al., 1990, 3
Kozyro, A.A.; Simirskii, V.V.; Krasulin, A.P.; Sevruk, V.M.; Kabo, G.Y.; Frenkel, M.L.; Gaponik, P.N.; Grigor'ev, Y.V., Russ. J. Phys. Chem., 1990, 64, 348. [all data]

Kozyro, Simirskii, et al., 1990, 4
Kozyro, A.A.; Simirskii, V.V.; Krasulin, A.P.; Sevruk, V.M.; Kabo, G.Y.; Frenkel, M.L.; Gaponik, P.N.; Grigor'ev, Y.V., Thermodynamic properties of tetrazole derivatives in different aggregation states, Zh. Fiz. Khim., 1990, 64, 656. [all data]

Palmer, Simpson, et al., 1981
Palmer, M.H.; Simpson, I.; Wheeler, J.R., Gas phase tautomerism in the triazoles and tetrazoles: A study by photoelectron spectroscopy and ab initio molecular orbital calculations, Z. Naturforsch. A:, 1981, 36, 1246. [all data]


Notes

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