Benzaldehyde
- Formula: C7H6O
- Molecular weight: 106.1219
- IUPAC Standard InChIKey: HUMNYLRZRPPJDN-UHFFFAOYSA-N
- CAS Registry Number: 100-52-7
- 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. - Other names: Artificial Almond Oil; Benzaldehyde FFC; Benzenecarbonal; Benzenecarboxaldehyde; Benzoic aldehyde; Phenylmethanal; Almond artificial essential oil; Phenylmethanal benzenecarboxaldehyde; NCI-C56133; Oil of Bitter Almond; Artificial essential oil of almond; Benzene carbaldehyde; NA 1989; Artifical essential oil of almond; Artificial bitter almond oil; Benzenemethylal; Benzoyl hydride; Ethereal oil of bitter almonds; Benzylaldehyde; NSC 7917; Benzyaldehyde
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Reaction thermochemistry data
Go To: Top, 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
By formula: Br- + C7H6O = (Br- • C7H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.2 | kcal/mol | PHPMS | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.7 | 423. | PHPMS | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
By formula: NO- + C7H6O = (NO- • C7H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 43.7 | kcal/mol | ICR | Reents and Freiser, 1981 | gas phase; switching reaction,Thermochemical ladder(NO+)C2H5OH, Entropy change calculated or estimated; Farid and McMahon, 1978; M |
By formula: C7H6O + C7H6O3 = 2C7H6O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -75.6 ± 3.0 | kcal/mol | Cm | Briner and Chastonay, 1954 | liquid phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -75.7 ± 3.0 kcal/mol; ALS |
By formula: C7H6O + C8H8O = H2O + C15H12O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -15.54 ± 0.45 | kcal/mol | Cm | Hao, Chang, et al., 1985 | liquid phase; solvent: Aqueous NaOH; ALS |
By formula: HI + C7H5IO = C7H6O + I2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -3.0 ± 1.0 | kcal/mol | Eqk | Solly and Benson, 1971 | gas phase; ALS |
By formula: C7H6O + I2 = HI + C7H5IO
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.0 ± 1.0 | kcal/mol | Eqk | Solly and Benson, 1971 | gas phase; ALS |
By formula: C13H12N2 + H2O = C7H6O + C6H8N2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -14.6 | kcal/mol | Cm | Landrieu, 1905 | solid phase; ALS |
By formula: C7H8O = C7H6O + H2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.89 | kcal/mol | Eqk | Cubberley and Mueller, 1946 | gas phase; ALS |
By formula: C7H6O3 = C7H6O + O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 60.5 | kcal/mol | Cm | Briner and Chastonay, 1954 | solid phase; ALS |
References
Go To: Top, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
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, 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, Reaction thermochemistry data, References
- Symbols used in this document:
T Temperature ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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