Benzaldehyde

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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:
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
Δfgas-36.8 ± 3.0kJ/molCcbAmbrose, Connett, et al., 1975ALS
Δfgas-33.26kJ/molCmKudchadker and Kudchadker, 1975ALS
Δfgas-37.2 ± 0.92kJ/molCcbLebedeva and Katin, 1972Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -33. ± 2. kJ/mol; ALS
Δfgas-37. ± 4.2kJ/molEqkSolly and Benson, 1971ALS
Δfgas-40.4kJ/molN/ALandrieu, Baylocq, et al., 1929Value computed using ΔfHliquid° value of -86.2 kj/mol from Landrieu, Baylocq, et al., 1929 and ΔvapH° 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

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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
Δfliquid-87.1 ± 2.2kJ/molCcbAmbrose, Connett, et al., 1975ALS
Δfliquid-83.05 ± 0.84kJ/molCcbLebedeva and Katin, 1972ALS
Δfliquid-86.2kJ/molCcbLandrieu, Baylocq, et al., 1929ALS
Quantity Value Units Method Reference Comment
Δcliquid-3525.0 ± 2.0kJ/molCcbAmbrose, Connett, et al., 1975Corresponding Δfliquid = -87.1 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-3529. ± 0.8kJ/molCcbLebedeva and Katin, 1972Corresponding Δfliquid = -83.3 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-3526.kJ/molCcbLandrieu, Baylocq, et al., 1929Corresponding Δfliquid = -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

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 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 • Benzaldehyde)

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

Quantity Value Units Method Reference Comment
Δr55.2kJ/molPHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr84.J/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (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 • Benzaldehyde)

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

Quantity Value Units Method Reference Comment
Δr183.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
Δr-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
Δr-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
Δr-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
Δr13. ± 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
Δr-61.1kJ/molCmLandrieu, 1905solid phase; ALS

Benzyl alcohol = Benzaldehyde + Hydrogen

By formula: C7H8O = C7H6O + H2

Quantity Value Units Method Reference Comment
Δr53.93kJ/molEqkCubberley and Mueller, 1946gas phase; ALS

perbenzoic acid = Benzaldehyde + Oxygen

By formula: C7H6O3 = C7H6O + O2

Quantity Value Units Method Reference Comment
Δr253.kJ/molCmBriner and Chastonay, 1954solid phase; ALS

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, 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]

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, Reaction thermochemistry data, References