Benzaldehyde dimethyl acetal
- Formula: C9H12O2
- Molecular weight: 152.1904
- IUPAC Standard InChI: InChI=1S/C9H12O2/c1-10-9(11-2)8-6-4-3-5-7-8/h3-7,9H,1-2H3
- IUPAC Standard InChIKey: HEVMDQBCAHEHDY-UHFFFAOYSA-N
- CAS Registry Number: 1125-88-8
- 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: Benzene, (dimethoxymethyl)-; α,α-Dimethoxytoluene; Dimethoxymethylbenzene; Dimethoxyphenylmethane; Toluene, α,α-dimethoxy-; alpha,alpha-dimethoxytoluene
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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -59.50 ± 0.21 | kcal/mol | Ccr | Verevkin, Dogan, et al., 1995 | See Beckhaus, Dogan, et al., 1990 |
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, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 469. | K | N/A | American Tokyo Kasei, 1988 | BS |
| Tboil | 480. | K | N/A | Adams and Adkins, 1925 | Uncertainty assigned by TRC = 5. K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 14.6 ± 0.1 | kcal/mol | GS | Verevkin, 2002 | Based on data from 278. to 318. K.; AC |
| ΔvapH° | 14.21 ± 0.17 | kcal/mol | V | Verevkin, Dogan, et al., 1995 | See Beckhaus, Dogan, et al., 1990; ALS |
| ΔvapH° | 14.2 | kcal/mol | N/A | Verevkin, Dogan, et al., 1995 | DRB |
Reduced pressure boiling point
| Tboil (K) | Pressure (atm) | Reference | Comment |
|---|---|---|---|
| 361.2 | 0.024 | Aldrich Chemical Company Inc., 1990 | BS |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 13.5 ± 0.2 | 300. | GS | Verevkin, Dogan, et al., 1995 | Based on data from 283. to 318. K.; AC |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Verevkin, Dogan, et al., 1995
Verevkin, S.P.; Dogan, B.; Hdrich, J.; Beckhaus, H.-D.; Rchardt, C.,
Geminal substituent effects. VIII. Enthalpies of formation of acetals,
J. Prakt. Chem., 1995, 337, 93-98. [all data]
Beckhaus, Dogan, et al., 1990
Beckhaus, H.D.; Dogan, B.; Verevkin, S.; Hadrich, J.; Ruchardt, C.,
Dependence of anomeric stabilization on structure in acetals,
Angew. Chem. Int. Ed. Engl., 1990, 29, 320-321. [all data]
American Tokyo Kasei, 1988
American Tokyo Kasei,
TCI American Organic Chemical 88/89 Catalog, American Tokyo Kasei, Portland, OR, 1988, 1610. [all data]
Adams and Adkins, 1925
Adams, E.W.; Adkins, H.,
Catalysis in Acetal Formation,
J. Am. Chem. Soc., 1925, 47, 1358-67. [all data]
Verevkin, 2002
Verevkin, Sergey P.,
Improved Benson Increments for the Estimation of Standard Enthalpies of Formation and Enthalpies of Vaporization of Alkyl Ethers, Acetals, Ketals, and Ortho Esters,
J. Chem. Eng. Data, 2002, 47, 5, 1071-1097, https://doi.org/10.1021/je020023o
. [all data]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Tboil Boiling point ΔfH°gas Enthalpy of formation of gas at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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