Methane, diethoxy-
- Formula: C5H12O2
- Molecular weight: 104.1476
- IUPAC Standard InChIKey: KLKFAASOGCDTDT-UHFFFAOYSA-N
- CAS Registry Number: 462-95-3
- 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: Ethane, 1,1'-[methylenebis(oxy)]bis-; Diethoxymethane; Diethylformal; Ethoxymethyl ethyl ether; Ethylal; Formaldehyde diethyl acetal; 1,1-Diethoxymethane; UN 2373; 3,5-Dioxaheptane; NSC 6754
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Condensed phase thermochemistry data
Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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°liquid | -107.2 ± 0.1 | kcal/mol | Ccb | Gutner, Lebedeva, et al., 1980 | |
ΔfH°liquid | -107.65 ± 0.20 | kcal/mol | Ccr | Mansson, 1969 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -772.90 ± 0.1 | kcal/mol | Ccb | Gutner, Lebedeva, et al., 1980 | Corresponding ΔfHºliquid = -107.2 kcal/mol (simple calculation by NIST; no Washburn corrections) |
ΔcH°liquid | -772.50 ± 0.19 | kcal/mol | Ccr | Mansson, 1969 | Corresponding ΔfHºliquid = -107.65 kcal/mol (simple calculation by NIST; no Washburn corrections) |
Phase change data
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 361.2 ± 0.9 | K | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 206. | K | N/A | Timmermans, 1935 | Uncertainty assigned by TRC = 2. K; TRC |
Tfus | 206.65 | K | N/A | Timmermans, 1934 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tfus | 207.2 | K | N/A | Timmermans, 1927 | Uncertainty assigned by TRC = 1.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 8.542 | kcal/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 8.9 ± 0.5 | kcal/mol | V | Lebedeva, Ryadnenko, et al., 1977 | Heat of combustion is not reported; ALS |
ΔvapH° | 8.521 ± 0.041 | kcal/mol | C | Mansson, 1969 | ALS |
ΔvapH° | 8.53 | kcal/mol | N/A | Mansson, 1969 | DRB |
ΔvapH° | 8.53 ± 0.05 | kcal/mol | C | Mansson, 1969 | AC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
7.488 | 361.1 | N/A | Majer and Svoboda, 1985 | |
8.63 | 288. | A | Stephenson and Malanowski, 1987 | Based on data from 273. to 361. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
273. to 348. | 4.10492 | 1270.167 | -51.891 | Nicolini and Laffitte, 1949 | Coefficents calculated by NIST from author's data. |
Gas phase ion energetics data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), 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: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
IE (eV) | Method | Reference |
---|---|---|
9.70 ± 0.05 | PI | Watanabe, Nakayama, et al., 1962 |
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | NIST Mass Spectrometry Data Center, 1990. |
NIST MS number | 118816 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Gutner, Lebedeva, et al., 1980
Gutner, N.M.; Lebedeva, N.D.; Dobychin, S.L.; Kiseleva, N.N.,
Thermochemical study of aliphatic ethers,
J. Appl. Chem. USSR, 1980, 53, 1523-1525. [all data]
Mansson, 1969
Mansson, M.,
Non-bonded oxygen-oxygen interactions in straight-chain compounds,
J. Chem. Thermodyn., 1969, 1, 141-151. [all data]
Timmermans, 1935
Timmermans, J.,
Researches in Stoichiometry. I. The Heat of Fusion of Organic Compounds.,
Bull. Soc. Chim. Belg., 1935, 44, 17-40. [all data]
Timmermans, 1934
Timmermans, J.,
Theory of Concentrated Solutions XII.,
Bull. Soc. Chim. Belg., 1934, 43, 626. [all data]
Timmermans, 1927
Timmermans, J.,
The Melting Point of Organic Substances,
Bull. Soc. Chim. Belg., 1927, 36, 502. [all data]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]
Lebedeva, Ryadnenko, et al., 1977
Lebedeva, N.D.; Ryadnenko, V.L.; Gutner, N.M.; Nazarova, L.F.; Kiseleva, N.N.; Aizenshtadt, I.N.; Kirilenko, I.V.,
Possibility of using additive schemes for estimation of the enthalpies of formation of polyfunctional compounds,
J. Anal. Chem. USSR (Engl. Transl.), 1977, 50, 726-729. [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]
Nicolini and Laffitte, 1949
Nicolini, E.; Laffitte, P.,
Tensions de Vapeur de Quelques Liquides Organiques Purs,
Compt. Rend., 1949, 229, 757-759. [all data]
Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J.,
Ionization potentials of some molecules,
J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid 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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