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Benzaldehyde

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), 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
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas-36.8 ± 3.0kJ/molCcbAmbrose, Connett, et al., 1975ALS
Deltafgas-33.26kJ/molCmKudchadker and Kudchadker, 1975ALS
Deltafgas-37.2 ± 0.92kJ/molCcbLebedeva and Katin, 1972Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -33. ± 2. kJ/mol; ALS
Deltafgas-37. ± 4.2kJ/molEqkSolly and Benson, 1971ALS
Deltafgas-40.4kJ/molN/ALandrieu, Baylocq, et al., 1929Value computed using «DELTA»fHliquid° value of -86.2 kj/mol from Landrieu, Baylocq, et al., 1929 and «DELTA»vapH° value of 45.9 kj/mol from Lebedeva and Katin, 1972.; DRB

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
102.8273.15Ambrose D., 1975Selected entropy values agree with the observed ones within experimental error. Entropies obtained from other statistical calculations [ Sarin V.N., 1973, Kudchadker S.A., 1975] differ substantially from experimental values.; GT
111.7298.15
112.3300.
146.5400.
175.4500.
198.6600.
217.2700.
232.2800.
244.6900.
255.01000.
263.61100.
271.01200.
277.31300.
282.71400.
287.31500.

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), 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
Deltafliquid-87.1 ± 2.2kJ/molCcbAmbrose, Connett, et al., 1975ALS
Deltafliquid-83.05 ± 0.84kJ/molCcbLebedeva and Katin, 1972ALS
Deltafliquid-86.2kJ/molCcbLandrieu, Baylocq, et al., 1929ALS
Quantity Value Units Method Reference Comment
Deltacliquid-3525.0 ± 2.0kJ/molCcbAmbrose, Connett, et al., 1975Corresponding «DELTA»fliquid = -87.1 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-3529. ± 0.8kJ/molCcbLebedeva and Katin, 1972Corresponding «DELTA»fliquid = -83.3 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-3526.kJ/molCcbLandrieu, Baylocq, et al., 1929Corresponding «DELTA»fliquid = -86.2 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid221.2J/mol*KN/AAmbrose, Connett, et al., 1975DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
172.0298.15Ambrose, Connett, et al., 1975T = 13 to 425 K.; DH
171.1302.4de Kolossowsky and Udowenko, 1934DH
171.1302.3Kolosovskii and Udovenko, 1934DH

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, Kenneth Kroenlein director
AC - William E. Acree, Jr., James S. Chickos
DRB - Donald R. Burgess, Jr.
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
Tboil452. ± 7.KAVGN/AAverage of 13 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus247.KN/ABuckingham and Donaghy, 1982BS
Tfus216.65KN/ABiltz, Fischer, et al., 1930Uncertainty assigned by TRC = 0.5 K; TRC
Tfus217.55KN/ATimmermans, 1921Uncertainty assigned by TRC = 0.5 K; TRC
Tfus216.25KN/ATimmermans, 1921Uncertainty assigned by TRC = 0.6 K; TRC
Tfus259.7KN/AAltschul and Von Schneider, 1895Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Ttriple216.02KN/AAmbrose, Connett, et al., 1975, 2Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Tc690.KN/AAnselme and Teja, 1990Uncertainty assigned by TRC = 20. K; Tc > 690 K, which was observed with decomposition; TRC
Tc695.KN/AAmbrose, Connett, et al., 1975, 2Uncertainty assigned by TRC = 5. K; Visual, Decomp, VPX; TRC
Tc625.15KN/AGlaser and Ruland, 1957Uncertainty assigned by TRC = 3. K; TRC
Quantity Value Units Method Reference Comment
Pc46.50barN/AAmbrose, Connett, et al., 1975, 2Uncertainty assigned by TRC = 0.4646 bar; Visual, Decomp, VPX; TRC
Pc21.7849barN/AGlaser and Ruland, 1957Uncertainty assigned by TRC = 3.0398 bar; TRC
Quantity Value Units Method Reference Comment
Deltavap48. ± 6.kJ/molAVGN/AAverage of 7 values; Individual data points

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
335.20.013Weast and Grasselli, 1989BS
452.1.00Buckingham and Donaghy, 1982BS
335.0.013Buckingham and Donaghy, 1982BS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
49.5363.AStephenson and Malanowski, 1987Based on data from 348. - 452. K.; AC
43.8424.AStephenson and Malanowski, 1987Based on data from 409. - 481. K.; AC
48.6326.AStephenson and Malanowski, 1987Based on data from 311. - 376. K.; AC
45.5385.AStephenson and Malanowski, 1987Based on data from 370. - 475. K.; AC
41.9480.AStephenson and Malanowski, 1987Based on data from 465. - 541. K.; AC
40.6544.AStephenson and Malanowski, 1987Based on data from 529. - 599. K.; AC
47.0288.A,BGStephenson and Malanowski, 1987Based on data from 273. - 373. K. See also De Maré, Lehman, et al., 1973.; AC
50.3311.VAmbrose, Connett, et al., 1975ALS
42.5452.EBAmbrose, Connett, et al., 1975Based on data from 311. - 404. K.; AC
54.4314.N/AStull, 1947Based on data from 299. - 452. K.; 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
273.14 - 322.065.214962337.539-5.103De Maré, Lehman, et al., 1973Coefficents calculated by NIST from author's data.
299.4 - 452.3.876521380.729-94.98Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
9.320216.02Ambrose, Connett, et al., 1975DH
9.33216.Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
43.14216.02Ambrose, Connett, et al., 1975DH

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

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), 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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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

Bromine anion + Benzaldehyde = (Bromine anion bullet Benzaldehyde)

By formula: Br- + C7H6O = (Br- bullet C7H6O)

Quantity Value Units Method Reference Comment
Deltar55.2kJ/molPHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar84.J/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
20.423.PHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M

Nitric oxide anion + Benzaldehyde = (Nitric oxide anion bullet Benzaldehyde)

By formula: NO- + C7H6O = (NO- bullet C7H6O)

Quantity Value Units Method Reference Comment
Deltar183.kJ/molICRReents and Freiser, 1981gas phase; switching reaction,Thermochemical ladder(NO+)C2H5OH, Entropy change calculated or estimated; Farid and McMahon, 1978; M

Benzaldehyde + perbenzoic acid = 2Benzoic acid

By formula: C7H6O + C7H6O3 = 2C7H6O2

Quantity Value Units Method Reference Comment
Deltar-316. ± 13.kJ/molCmBriner and Chastonay, 1954liquid phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -317. ± 13. kJ/mol; ALS

Benzaldehyde + Acetophenone = Water + Chalcone

By formula: C7H6O + C8H8O = H2O + C15H12O

Quantity Value Units Method Reference Comment
Deltar-65.0 ± 1.9kJ/molCmHao, Chang, et al., 1985liquid phase; solvent: Aqueous NaOH; ALS

Hydrogen iodide + Benzoyl iodide = Benzaldehyde + Iodine

By formula: HI + C7H5IO = C7H6O + I2

Quantity Value Units Method Reference Comment
Deltar-13. ± 4.2kJ/molEqkSolly and Benson, 1971gas phase; ALS

Benzaldehyde + Iodine = Hydrogen iodide + Benzoyl iodide

By formula: C7H6O + I2 = HI + C7H5IO

Quantity Value Units Method Reference Comment
Deltar13. ± 4.2kJ/molEqkSolly and Benson, 1971gas phase; ALS

Benzaldehyde, phenylhydrazone + Water = Benzaldehyde + Hydrazine, phenyl-

By formula: C13H12N2 + H2O = C7H6O + C6H8N2

Quantity Value Units Method Reference Comment
Deltar-61.1kJ/molCmLandrieu, 1905solid phase; ALS

Benzyl alcohol = Benzaldehyde + Hydrogen

By formula: C7H8O = C7H6O + H2

Quantity Value Units Method Reference Comment
Deltar53.93kJ/molEqkCubberley and Mueller, 1946gas phase; ALS

perbenzoic acid = Benzaldehyde + Oxygen

By formula: C7H6O3 = C7H6O + O2

Quantity Value Units Method Reference Comment
Deltar253.kJ/molCmBriner and Chastonay, 1954solid phase; ALS

IR Spectrum

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

Data compiled by: Coblentz Society, Inc.

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


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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

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, 1990.
NIST MS number 118651

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.


References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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.

Ambrose, Connett, et al., 1975
Ambrose, D.; Connett, J.E.; Green, J.H.S.; Hales, J.L.; Head, A.J.; Martin, J.F., Thermodynamic properties of organic oxygen compounds. 42. Physical and thermodynamic properties of benzaldehyde, J. Chem. Thermodyn., 1975, 7, 1143-1157. [all data]

Kudchadker and Kudchadker, 1975
Kudchadker, S.A.; Kudchadker, A.P., Thermodynamic properties of oxygen compounds. III. Benzaldehyde and furfural (2-furaldehyde), Ber. Bunsenges. Phys. Chem., 1975, 12, 432-437. [all data]

Lebedeva and Katin, 1972
Lebedeva, N.D.; Katin, Yu.A., Heats of combustion of certain monosubstituted benzenes, Russ. J. Phys. Chem. (Engl. Transl.), 1972, 46, 1088. [all data]

Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P., Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]

Solly and Benson, 1971
Solly, R.K.; Benson, S.W., Thermochemistry of the reaction of benzaldehyde with iodine. The enthalpy of formation of benzaldehyde and benzoyl iodide, J. Chem. Thermodyn., 1971, 3, 203-209. [all data]

Landrieu, Baylocq, et al., 1929
Landrieu, P.; Baylocq, F.; Johnson, J.R., Etude thermochimique dans la serie furanique, Bull. Soc. Chim. France, 1929, 45, 36-49. [all data]

Ambrose D., 1975
Ambrose D., Thermodynamic properties of organic oxygen compounds. 42. Physical and thermodynamic properties of benzaldehyde, J. Chem. Thermodyn., 1975, 7, 1143-1157. [all data]

Sarin V.N., 1973
Sarin V.N., Thermodynamic properties in the gaseous state of certain monosubstituted benzenes, Thermochim. Acta, 1973, 6, 39-46. [all data]

Kudchadker S.A., 1975
Kudchadker S.A., Thermodynamic properties of oxygen compounds. III. Benzaldehyde and furfural (2-furaldehyde), Thermochim. Acta, 1975, 12, 432-437. [all data]

de Kolossowsky and Udowenko, 1934
de Kolossowsky, N.; Udowenko, W.W., Determination des chaleurs specifiques des liquides, Compt. rend., 1934, 198, 1394-1395. [all data]

Kolosovskii and Udovenko, 1934
Kolosovskii, N.A.; Udovenko, W.W., Specific heat of liquids. II., Zhur. Obshchei Khim., 1934, 4, 1027-1033. [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]

Biltz, Fischer, et al., 1930
Biltz, W.; Fischer, W.; Wunnenberg, E., Molecular and Atomic Volumes. The Volume Requirements of Crystalline Organic Compounds and Low Temperatures, Z. Phys. Chem., Abt. A, 1930, 151, 13-55. [all data]

Timmermans, 1921
Timmermans, J., The Freezing Points of Organic Substances IV. New Exp. Determinations, Bull. Soc. Chim. Belg., 1921, 30, 62. [all data]

Altschul and Von Schneider, 1895
Altschul, M.; Von Schneider, B., Freezing points of some organic fluids, Z. Phys. Chem., Stoechiom. Verwandtschaftsl., 1895, 16, 24. [all data]

Ambrose, Connett, et al., 1975, 2
Ambrose, D.; Connett, J.E.; Green, J.H.S.; Hales, J.L.; Head, A.J.; Martin, J.F., Thermodynamic properties of organic oxygen compounds 42. Physical and thermodynamic properties of benzaldehyde, J. Chem. Thermodyn., 1975, 7, 1143. [all data]

Anselme and Teja, 1990
Anselme, M.J.; Teja, A.S., The critical properties of rapidly reacting substances, AIChE Symp. Ser., 1990, 86, 279, 128-32. [all data]

Glaser and Ruland, 1957
Glaser, F.; Ruland, H., Untersuchungsen über dampfdruckkurven und kritische daten einiger technisch wichtiger organischer substanzen, Chem. Ing. Techn., 1957, 29, 772. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [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]

De Maré, Lehman, et al., 1973
De Maré, G.R.; Lehman, T.; Termonia, M., The vapour pressure of benzaldehyde between 273 and 376 K, The Journal of Chemical Thermodynamics, 1973, 5, 6, 829-832, https://doi.org/10.1016/S0021-9614(73)80044-8 . [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

Paul and Kebarle, 1991
Paul, G.J.C.; Kebarle, P., Stabilities of Complexes of Br- with Substituted Benzenes (SB) Based on Determinations of the Gas-Phase Equilibria Br- + SB = (BrSB)-, J. Am. Chem. Soc., 1991, 113, 4, 1148, https://doi.org/10.1021/ja00004a014 . [all data]

Reents and Freiser, 1981
Reents, W.D.; Freiser, B.S., Gas-Phase Binding Energies and Spectroscopic Properties of NO+ Charge-Transfer Complexes, J. Am. Chem. Soc., 1981, 103, 2791. [all data]

Farid and McMahon, 1978
Farid, R.; McMahon, T.B., Gas-Phase Ion-Molecule Reactions of Alkyl Nitrites by Ion Cyclotron Resonance Spectroscopy, Int. J. Mass Spectrom. Ion Phys., 1978, 27, 2, 163, https://doi.org/10.1016/0020-7381(78)80037-0 . [all data]

Briner and Chastonay, 1954
Briner, E.; Chastonay, P., Etude thermochemique de l'autoxydation de Valdehyde benzoique, Helv. Chim. Acta, 1954, 238, 539-541. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Hao, Chang, et al., 1985
Hao, J.; Chang, J.; Wang, K.; Liu, Y.; Zhong, G., Heat of reaction of chalcone by calorimetric measurement, Huaxue Tongbao, 1985, 15-16. [all data]

Landrieu, 1905
Landrieu, M.Ph., Thermochimie. - Thermochimie des hydrazones, Compt. Rend., 1905, 141, 358-361. [all data]

Cubberley and Mueller, 1946
Cubberley, A.H.; Mueller, M.B., Equilibrium studies on the dehydrogenation of primary and secondary alcohols. I. 2-Butanol, 2-octanol, cyclopentanol and benzyl alcohol, J. Am. Chem. Soc., 1946, 68, 1149-1151. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References