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Benzamide

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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
Deltafsolid-202.14 ± 0.60kJ/molCcrSteele, Chirico, et al., 1990ALS
Deltafsolid-204.8 ± 0.8kJ/molCcbKulagina and Kiparisova, 1987ALS
Deltafsolid-208.5 ± 1.9kJ/molCcbNurachmetov, Beremzhanov, et al., 1985ALS
Deltafsolid-202.8kJ/molCmCole and Gilbert, 1951ALS
Quantity Value Units Method Reference Comment
Deltacsolid-3552.8 ± 0.5kJ/molCcrSteele, Chirico, et al., 1990ALS
Deltacsolid-3550.1 ± 0.8kJ/molCcbKulagina and Kiparisova, 1987ALS
Deltacsolid-3546.5 ± 1.9kJ/molCcbNurachmetov, Beremzhanov, et al., 1985ALS
Deltacsolid-3552.2kJ/molCmCole and Gilbert, 1951ALS
Deltacsolid-3551. ± 3.kJ/molCcbAnderson and Gilbert, 1942ALS

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
153.8298.15Steele, Chirico, et al., 1990T = 315 to 475 K. C/R(c) = 0.067T - 1.51 (315 to 375 K); C/R(liq) = 0.0288T + 21.03 (415 to 475 K), R = 8.31441 JK mol.; 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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil561.KN/ABuckingham and Donaghy, 1982BS
Quantity Value Units Method Reference Comment
Tfus401. ± 3.KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Deltasub102. ± 1.kJ/molCGomez and Sabbah, 1982Based on data from 323. - 349. K.; AC

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
96.9333.5AStephenson and Malanowski, 1987Based on data from 325. - 342. K. See also Aihara, 1960.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Method Reference Comment
23.760403.N/ASteele, Chirico, et al., 1990DH
19.15402.1DSCBrittain, 2009AC
18.49402.3N/AAcree, 1991AC

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:


Reaction 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: John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

C7H6NO- + Hydrogen cation = Benzamide

By formula: C7H6NO- + H+ = C7H7NO

Quantity Value Units Method Reference Comment
Deltar1481. ± 8.8kJ/molG+TSTaft, 1987gas phase; value altered from reference due to change in acidity scale
Quantity Value Units Method Reference Comment
Deltar1452. ± 8.4kJ/molIMRETaft, 1987gas phase; value altered from reference due to change in acidity scale

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

Quantity Value Units Method Reference Comment
Proton affinity (review)892.1kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity861.2kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
9.25EIElder, Beynon, et al., 1976LLK
9.60EIBenoit, 1973LLK
9.4 ± 0.2EICotter, Soc. 1965RDSH
9.45PEMcAlduff, Lynch, et al., 1978Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C6H5+14.21NH2+COEIBenoit, 1973LLK
C6H5+13.5 ± 0.1?EICotter, Soc. 1965RDSH
C7H5N+10.19 ± 0.10H2OEICotter, 1964RDSH
C7H5O+10.1NH2EIElder, Beynon, et al., 1976LLK
C7H5O+11.09NH2EIBenoit, 1973LLK
C7H5O+9.9 ± 0.1NH2EICotter, Soc. 1965RDSH

De-protonation reactions

C7H6NO- + Hydrogen cation = Benzamide

By formula: C7H6NO- + H+ = C7H7NO

Quantity Value Units Method Reference Comment
Deltar1481. ± 8.8kJ/molG+TSTaft, 1987gas phase; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Deltar1452. ± 8.4kJ/molIMRETaft, 1987gas phase; value altered from reference due to change in acidity scale; B

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

Data compiled by: Timothy J. Johnson, Tanya L. Myers, Yin-Fong Su, Russell G. Tonkyn, Molly Rose K. Kelly-Gorham, and Tyler O. Danby

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


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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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 NIST Mass Spectrometry Data Center, 1994
NIST MS number 135755

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 Ramart-Lucas and Guilmart, 1950
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. 5265
Instrument n.i.g.
Melting point 129.1
Boiling point 290

Gas Chromatography

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillarySPB-51339.Begnaud, Pérès, et al., 200360. m/0.32 mm/1. «mu»m; Program: not specified
CapillaryBPX-51344.Machiels, van Ruth, et al., 200360. m/0.32 mm/1. «mu»m, He; Program: 40C (4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250 C (10min)

References

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

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

Steele, Chirico, et al., 1990
Steele, W.V.; Chirico, R.D.; Nguyen, A.; Hossenlopp, I.A.; Smith, N.K., Determination of ideal-gas enthalpies of formation for key compounds, Am. Inst. Chem. Eng. Symp. Ser. (AIChE Symp. Ser.), 1990, 138-154. [all data]

Kulagina and Kiparisova, 1987
Kulagina, T.G.; Kiparisova, E.G., Enthalpies of combustion and of formation of derivatives of carbamide, Russ. J. Phys. Chem. (Engl. Transl.), 1987, 61, 261-262. [all data]

Nurachmetov, Beremzhanov, et al., 1985
Nurachmetov, N.N.; Beremzhanov, B.A.; Abramova, G.V.; Lebedev, B.V., Thermodynamics of (thio)amides and their compounds with mineral acids at (0-330)K, Thermochim. Acta, 1985, 92, 329-332. [all data]

Cole and Gilbert, 1951
Cole, L.G.; Gilbert, E.C., The heats of combustion of some nitrogen compounds and the apparent energy of the N-N bond, J. Am. Chem. Soc., 1951, 73, 5423-5427. [all data]

Anderson and Gilbert, 1942
Anderson, C.M.; Gilbert, E.C., The apparent energy of the N-N bond as calculated from heats of combustion, J. Am. Chem. Soc., 1942, 64, 2369-2372. [all data]

Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M., Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 1. [all data]

Gomez and Sabbah, 1982
Gomez, L.A.T.; Sabbah, R., Thermodynamique de substances azotees. IX. Etude thermochimique de la benzamide. Comparaison des grandeurs energetiques liees a la structure de quelques amides et thioamides, Thermochim. Acta, 1982, 58, 311-315. [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]

Aihara, 1960
Aihara, Ariyuki, Estimation of the Energy of Hydrogen Bonds Formed in Crystals. III. Amides, Bull. Chem. Soc. Jpn., 1960, 33, 9, 1188-1194, https://doi.org/10.1246/bcsj.33.1188 . [all data]

Brittain, 2009
Brittain, Harry G., Vibrational Spectroscopic Studies of Cocrystals and Salts. 1. The Benzamide-Benzoic Acid System, Crystal Growth & Design, 2009, 9, 5, 2492-2499, https://doi.org/10.1021/cg801397t . [all data]

Acree, 1991
Acree, William E., Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation, Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H . [all data]

Taft, 1987
Taft, R.W., The Nature and Analysis of Substitutent Electronic Effects, Personal communication. See also Prog. Phys. Org. Chem., 1987, 16, 1. [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]

Elder, Beynon, et al., 1976
Elder, J.F.; Beynon, J.H.; Cooks, R.G., The benzoyl ion. Thermochemistry and kinetic energy release, Org. Mass Spectrom., 1976, 11, 415. [all data]

Benoit, 1973
Benoit, F., The benzoyl cation: The participation of isolated electronic excited states in the dissociation of molecular ions of the form [C6H5COX]+, Org. Mass Spectrom., 1973, 7, 1407. [all data]

Cotter, Soc. 1965
Cotter, J.L., Electron-impact fragmentation of pentafluorobenzamide, J. Chem., Soc. 1965, 5742. [all data]

McAlduff, Lynch, et al., 1978
McAlduff, E.J.; Lynch, B.M.; Houk, K.N., Photoelectron spectra of substituted benzamides, Can. J. Chem., 1978, 56, 495. [all data]

Cotter, 1964
Cotter, J.L., Electron impact fragmentation patterns of acetanilide and benzamide, J. Chem. Soc., 1964, 5477. [all data]

Ramart-Lucas and Guilmart, 1950
Ramart-Lucas, P.; Guilmart, T., Sur les variations d'absorption dans les series homologues, Bull. Soc. Chim. Fr., 1950, 17, 405-411. [all data]

Begnaud, Pérès, et al., 2003
Begnaud, F.; Pérès, C.; Berdagué, J.-L., Characterization of volatile effluents of livestock buildings by solid-phase microextraction, Int. J. Environ. Anal. Chem., 2003, 83, 10, 837-849, https://doi.org/10.1080/03067310310001603349 . [all data]

Machiels, van Ruth, et al., 2003
Machiels, D.; van Ruth, S.M.; Posthumus, M.A.; Istasse, L., Gas chromatography-olfactometry analysis of the volatile compounds of two commercial Irish beef meats, Talanta, 2003, 60, 4, 755-764, https://doi.org/10.1016/S0039-9140(03)00133-4 . [all data]


Notes

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