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
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Condensed phase thermochemistry data
Go To: Top, 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 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°liquid | -87.1 ± 2.2 | kJ/mol | Ccb | Ambrose, Connett, et al., 1975 | ALS |
ΔfH°liquid | -83.05 ± 0.84 | kJ/mol | Ccb | Lebedeva and Katin, 1972 | ALS |
ΔfH°liquid | -86.2 | kJ/mol | Ccb | Landrieu, Baylocq, et al., 1929 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -3525.0 ± 2.0 | kJ/mol | Ccb | Ambrose, Connett, et al., 1975 | Corresponding ΔfHºliquid = -87.1 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -3529. ± 0.8 | kJ/mol | Ccb | Lebedeva and Katin, 1972 | Corresponding ΔfHºliquid = -83.3 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -3526. | kJ/mol | Ccb | Landrieu, Baylocq, et al., 1929 | Corresponding ΔfHºliquid = -86.2 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 221.2 | J/mol*K | N/A | Ambrose, Connett, et al., 1975 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
172.0 | 298.15 | Ambrose, Connett, et al., 1975 | T = 13 to 425 K.; DH |
171.1 | 302.4 | de Kolossowsky and Udowenko, 1934 | DH |
171.1 | 302.3 | Kolosovskii and Udovenko, 1934 | DH |
IR Spectrum
Go To: Top, Condensed phase thermochemistry data, References, Notes
Data compiled by: Coblentz Society, Inc.
- SOLUTION (1% IN CCl4 FOR 3800-1330, 1% IN CS2 FOR 1330-450 CM-1) VS SOLVENT; PERKIN-ELMER 180; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
- SOLUTION (2% IN CCl4 FOR 3800-1330, 2% IN CS2 FOR 1330-450 CM-1); DOW KBr FOREPRISM-GRATING; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
References
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, 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]
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]
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]
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]
Notes
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.