Benzamide
- Formula: C7H7NO
- Molecular weight: 121.1366
- IUPAC Standard InChIKey: KXDAEFPNCMNJSK-UHFFFAOYSA-N
- CAS Registry Number: 55-21-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Species with the same structure:
- Other names: Benzoic acid amide; Benzoylamide; Phenylcarboxyamide
- Information on this page:
- Other data available:
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Condensed phase thermochemistry data
Go To: Top, Phase change data, Gas Chromatography, 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
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°solid | -48.31 ± 0.14 | kcal/mol | Ccr | Steele, Chirico, et al., 1990 | ALS |
ΔfH°solid | -48.9 ± 0.2 | kcal/mol | Ccb | Kulagina and Kiparisova, 1987 | ALS |
ΔfH°solid | -49.84 ± 0.45 | kcal/mol | Ccb | Nurachmetov, Beremzhanov, et al., 1985 | ALS |
ΔfH°solid | -48.47 | kcal/mol | Cm | Cole and Gilbert, 1951 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -849.1 ± 0.1 | kcal/mol | Ccr | Steele, Chirico, et al., 1990 | ALS |
ΔcH°solid | -848.5 ± 0.2 | kcal/mol | Ccb | Kulagina and Kiparisova, 1987 | ALS |
ΔcH°solid | -847.64 ± 0.45 | kcal/mol | Ccb | Nurachmetov, Beremzhanov, et al., 1985 | ALS |
ΔcH°solid | -849.00 | kcal/mol | Cm | Cole and Gilbert, 1951 | ALS |
ΔcH°solid | -848.8 ± 0.8 | kcal/mol | Ccb | Anderson and Gilbert, 1942 | ALS |
Constant pressure heat capacity of solid
Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
36.76 | 298.15 | Steele, Chirico, et al., 1990 | T = 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
Go To: Top, Condensed phase thermochemistry data, Gas Chromatography, 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:
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 |
---|---|---|---|---|---|
Tboil | 561. | K | N/A | Buckingham and Donaghy, 1982 | BS |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 401. ± 3. | K | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 24.3 ± 0.2 | kcal/mol | C | Gomez and Sabbah, 1982 | Based on data from 323. to 349. K.; AC |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
23.2 | 333.5 | A | Stephenson and Malanowski, 1987 | Based on data from 325. to 342. K. See also Aihara, 1960.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
5.6788 | 403. | N/A | Steele, Chirico, et al., 1990 | DH |
4.577 | 402.1 | DSC | Brittain, 2009 | AC |
4.419 | 402.3 | N/A | Acree, 1991 | AC |
Gas Chromatography
Go To: Top, Condensed phase thermochemistry data, Phase change 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SPB-5 | 1339. | Begnaud, Pérès, et al., 2003 | 60. m/0.32 mm/1. μm; Program: not specified |
Capillary | BPX-5 | 1344. | Machiels, van Ruth, et al., 2003 | 60. m/0.32 mm/1. μm, 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, Gas Chromatography, 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]
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, Gas Chromatography, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid Tboil Boiling point Tfus Fusion (melting) point ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔfusH Enthalpy of fusion ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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