Ethane, 1,1-diethoxy-
- Formula: C6H14O2
- Molecular weight: 118.1742
- IUPAC Standard InChIKey: DHKHKXVYLBGOIT-UHFFFAOYSA-N
- CAS Registry Number: 105-57-7
- 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: Acetaldehyde, diethyl acetal; Acetal; Diethyl acetal; Ethylidene diethyl ether; 1,1-Diethoxyethane; CH3CH(OC2H5)2; Acetal diethylique; Diaethylacetal; 1,1-Diaethoxy-aethan; 1,1-Diethoxy-ethaan; 1,1-Dietossietano; Acetale; Acetol; UN 1088; USAF DO-45; Capsicum annuum l; Ethylidine diethyl ether; Diethoxy-1,1-ethane; NSC 7624; Ethanal diethyl acetal; acetal (acetaldehyde diethyl acetal)
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- 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.
Gas phase thermochemistry data
Go To: Top, Phase change data, Gas phase ion energetics data, References, Notes
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 | -108.41 ± 0.74 | kcal/mol | Ccb | Pihlaja and Heikkil, 1968 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, 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:
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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 373. ± 10. | K | AVG | N/A | Average of 8 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 539.7 | K | N/A | Quadri and Kudchadker, 1991 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tc | 527.6 | K | N/A | Pawlewski, 1883 | Uncertainty assigned by TRC = 10. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 31.78 | atm | N/A | Quadri and Kudchadker, 1991 | Uncertainty assigned by TRC = 0.20 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 9.46 ± 0.07 | kcal/mol | GS | Verevkin, Peng, et al., 1998 | Based on data from 275. to 308. K. See also Verevkin, 2002.; AC |
ΔvapH° | 9.04 ± 0.20 | kcal/mol | V | Pihlaja and Heikkil, 1968 | ALS |
Reduced pressure boiling point
Tboil (K) | Pressure (atm) | Reference | Comment |
---|---|---|---|
294.2 | 0.029 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
9.94 | 296. | A | Stephenson and Malanowski, 1987 | Based on data from 281. to 384. K. See also Dykyj, 1972.; AC |
9.51 | 288. | N/A | Nicolini and Laffitte, 1949 | Based on data from 273. to 343. K. See also Boublik, Fried, et al., 1984.; AC |
8.65 | 255. | N/A | Stull, 1947 | Based on data from 239. to 392. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
273. to 343. | 4.03951 | 1272.727 | -61.87 | Nicolini and Laffitte, 1949, 2 | Coefficents calculated by NIST from author's data. |
250. to 375.3 | 4.7441 | 1573.964 | -43.681 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
2.617 | 167. | Teodorescu, Wilken, et al., 2003 | AC |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Phase change data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.2 | PE | Zverev, Villem, et al., 1982 | |
9.78 | PE | Zverev, Villem, et al., 1982 | Vertical value |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Pihlaja and Heikkil, 1968
Pihlaja, K.; Heikkil, J.,
Heats of combustion. Diethyl ether and 1,1-diethoxyethane,
Acta Chem. Scand., 1968, 22, 2731-2732. [all data]
Quadri and Kudchadker, 1991
Quadri, S.K.; Kudchadker, A.P.,
Measurement of the critical temperatures and critical pressures of some thermally stable or mildly unstable esters, ketones, and ethers,
J. Chem. Thermodyn., 1991, 23, 129-34. [all data]
Pawlewski, 1883
Pawlewski, B.,
Critical temperatures of some liquids,
Ber. Dtsch. Chem. Ges., 1883, 16, 2633-36. [all data]
Verevkin, Peng, et al., 1998
Verevkin, S.P.; Peng, W.-H.; Beckhaus, H.D.; Rücuardt, C.,
Geminal substituent effects. 16. Does the anomeric effect in ketals depend on the hybridization of the central carbon atom?,
Eur. J. Org. Chem., 1998, 11, 2323. [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]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Dykyj, 1972
Dykyj, J.,
Petrochemia, 1972, 12, 1, 13. [all data]
Nicolini and Laffitte, 1949
Nicolini, E.; Laffitte, P.,
Compt. Rend., 1949, 229, 757. [all data]
Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E.,
The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [all data]
Nicolini and Laffitte, 1949, 2
Nicolini, E.; Laffitte, P.,
Tensions de Vapeur de Quelques Liquides Organiques Purs,
Compt. Rend., 1949, 229, 757-759. [all data]
Teodorescu, Wilken, et al., 2003
Teodorescu, Mariana; Wilken, Michael; Wittig, Roland; Gmehling, Jürgen,
Azeotropic and solid--liquid equilibria data for several binary organic systems containing one acetal compound,
Fluid Phase Equilibria, 2003, 204, 2, 267-280, https://doi.org/10.1016/S0378-3812(02)00260-1
. [all data]
Zverev, Villem, et al., 1982
Zverev, V.V.; Villem, Ya.Ya.; Villem, N.V.; Klimovitskii, E.N.; Arbuzov, B.A.,
Photoelectron spectra and intramolecular interactions of dimethoxymethane and 4,7-dihydro-1,3-dioxepin,
J. Gen. Chem. USSR, 1982, 52, 1674, In original 1888. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
Pc Critical pressure Tboil Boiling point Tc Critical temperature ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfusH Enthalpy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization 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.