Benzaldehyde
- Formula: C7H6O
- Molecular weight: 106.1219
- IUPAC Standard InChI: InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
- 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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Gas phase 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:
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 |
|---|---|---|---|---|---|
| ΔfH°gas | -8.80 ± 0.72 | kcal/mol | Ccb | Ambrose, Connett, et al., 1975 | ALS |
| ΔfH°gas | -7.950 | kcal/mol | Cm | Kudchadker and Kudchadker, 1975 | ALS |
| ΔfH°gas | -8.90 ± 0.22 | kcal/mol | Ccb | Lebedeva and Katin, 1972 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -8.0 ± 0.4 kcal/mol; ALS |
| ΔfH°gas | -8.9 ± 1.0 | kcal/mol | Eqk | Solly and Benson, 1971 | ALS |
| ΔfH°gas | -9.66 | kcal/mol | N/A | Landrieu, Baylocq, et al., 1929 | Value 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 (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 24.57 | 273.15 | Ambrose D., 1975 | Selected 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 |
| 26.70 | 298.15 | ||
| 26.84 | 300. | ||
| 35.01 | 400. | ||
| 41.92 | 500. | ||
| 47.47 | 600. | ||
| 51.91 | 700. | ||
| 55.50 | 800. | ||
| 58.46 | 900. | ||
| 60.95 | 1000. | ||
| 63.00 | 1100. | ||
| 64.77 | 1200. | ||
| 66.28 | 1300. | ||
| 67.57 | 1400. | ||
| 68.67 | 1500. |
References
Go To: Top, Gas phase 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]
Notes
Go To: Top, Gas phase thermochemistry data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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