Dimethyl ether
- Formula: C2H6O
- Molecular weight: 46.0684
- IUPAC Standard InChIKey: LCGLNKUTAGEVQW-UHFFFAOYSA-N
- CAS Registry Number: 115-10-6
- 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. - Isotopologues:
- Other names: Methane, oxybis-; Methyl ether; Methoxymethane; Wood ether; Oxybismethane; (CH3)2O; Ether, dimethyl; Ether, methyl; UN 1033; Dimethyl oxide; Dymel A; Dymel; Demeon D; DME; Methane, 1,1'-oxybis-
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Reaction thermochemistry data: reactions 51 to 52
- Henry's Law data
- Gas phase ion energetics data
- Ion clustering data
- Gas Chromatography
- Data at other public NIST sites:
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | -43.99 ± 0.12 | kcal/mol | Ccb | Pilcher, Pell, et al., 1964 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
![]() | -349.04 ± 0.11 | kcal/mol | Ccb | Pilcher, Pell, et al., 1964 | Corresponding «DELTA»fHºgas = -44.01 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
10.10 | 100. | Chao J., 1986 | p=1 bar. Selected values are in close agreement with other statistically calculated values [ Handi M.A., 1954, Seha Z., 1955, Banerjee S.C., 1964, Stull D.R., 1969] and ab initio result [ East A.L.L., 1997] at low temperatures. Discrepancies in S(1000 K) and Cp(1000 K) amount to about 5 and 3 J/mol*K, respectively, for [ Handi M.A., 1954, Banerjee S.C., 1964, Stull D.R., 1969].; GT |
11.71 | 150. | ||
13.02 | 200. | ||
14.95 | 273.15 | ||
15.67 ± 0.02 | 298.15 | ||
15.73 | 300. | ||
18.80 | 400. | ||
21.84 | 500. | ||
24.584 | 600. | ||
27.015 | 700. | ||
29.156 | 800. | ||
31.033 | 900. | ||
32.672 | 1000. | ||
34.104 | 1100. | ||
35.347 | 1200. | ||
36.427 | 1300. | ||
37.369 | 1400. | ||
38.186 | 1500. | ||
39.811 | 1750. | ||
40.989 | 2000. | ||
41.862 | 2250. | ||
42.522 | 2500. | ||
43.028 | 2750. | ||
43.427 | 3000. |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
14.82 | 272.20 | Kistiakowsky G.B., 1940 | GT |
15.75 | 300.76 | ||
16.81 | 333.25 | ||
17.96 | 370.42 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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: Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
S°liquid | 35.031 | cal/mol*K | N/A | Kennedy, Sagenkahn, et al., 1941 |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
24.450 | 240. | Kennedy, Sagenkahn, et al., 1941 | T = 14 to 240 K. |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 248.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 248.3 | K | N/A | Majer and Svoboda, 1985 | |
Tboil | 248.25 | K | N/A | Grosse, 1937 | Uncertainty assigned by TRC = 1. K; TRC |
Tboil | 249.2 | K | N/A | Maass and Boomer, 1922 | Uncertainty assigned by TRC = 0.4 K; TRC |
Tboil | 249.5 | K | N/A | Thiele and Schulte, 1920 | Uncertainty assigned by TRC = 0.6 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 135.2 | K | N/A | Maass and Boomer, 1922 | Uncertainty assigned by TRC = 2. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 131.64 | K | N/A | Wilhoit, Chao, et al., 1985 | Uncertainty assigned by TRC = 0.05 K; TRC |
Ttriple | 131.66 | K | N/A | Kennedy, Sagenkahn, et al., 1941, 2 | Uncertainty assigned by TRC = 0.06 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 401. ± 2. | K | AVG | N/A | Average of 12 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 53. ± 3. | atm | AVG | N/A | Average of 8 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.164 | l/mol | N/A | Zawisza and Glowka, 1970 | Uncertainty assigned by TRC = 0.003 l/mol; TRC |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 5.351 | mol/l | N/A | Edwards and Maass, 1935 | Uncertainty assigned by TRC = 0.43 mol/l; TRC |
![]() | 4.895 | mol/l | N/A | Tapp, Steacie, et al., 1933 | Uncertainty assigned by TRC = 0.65 mol/l; TRC |
![]() | 5.891 | mol/l | N/A | Cardoso and Coppola, 1923 | Uncertainty assigned by TRC = 0.07 mol/l; extraplation of rectilinear diameter, from obs L and G densities, to Tc = 126.9 deg C, from previous literature; TRC |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 4.61 | kcal/mol | N/A | Majer and Svoboda, 1985 | |
![]() | 4.42 | kcal/mol | N/A | Ambrose, Ellender, et al., 1976 | Based on data from 171. - 248. K.; AC |
Enthalpy of vaporization
![]() |
Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
5.1410 | 248.34 | N/A | Kennedy, Sagenkahn, et al., 1941 | P = 101.325 kPa; DH |
5.141 | 248.3 | N/A | Majer and Svoboda, 1985 | |
5.40 | 250. | A | Stephenson and Malanowski, 1987 | Based on data from 183. - 265. K.; AC |
5.45 | 234. | A | Stephenson and Malanowski, 1987 | Based on data from 180. - 249. K.; AC |
5.07 | 308. | A | Stephenson and Malanowski, 1987 | Based on data from 293. - 360. K.; AC |
5.04 | 364. | A | Stephenson and Malanowski, 1987 | Based on data from 349. - 400. K.; AC |
5.31 | 256. | A | Stephenson and Malanowski, 1987 | Based on data from 241. - 303. K.; AC |
5.11 | 248. | N/A | Ambrose, Ellender, et al., 1976 | Based on data from 171. - 248. K.; AC |
5.43 | 233. | N/A | Kennedy, Sagenkahn, et al., 1941 | Based on data from 195. - 248. K.; AC |
5.14 ± 0.02 | 248. | C | Kennedy, Sagenkahn, et al., 1941 | AC |
Entropy of vaporization
![]() |
Temperature (K) | Reference | Comment |
---|---|---|---|
20.70 | 248.34 | Kennedy, Sagenkahn, et al., 1941 | P; DH |
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 |
---|---|---|---|---|---|
194.93 - 248.24 | 4.10904 | 894.669 | -30.604 | Kennedy, Sagenkahn, et al., 1941 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
![]() |
Temperature (K) | Reference | Comment |
---|---|---|---|
1.1798 | 131.66 | Kennedy, Sagenkahn, et al., 1941 | DH |
1.18 | 131.7 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
![]() |
Temperature (K) | Reference | Comment |
---|---|---|---|
8.960 | 131.66 | Kennedy, Sagenkahn, et al., 1941 | DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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:
RCD - Robert C. Dunbar
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Reactions 1 to 50
By formula: Li+ + C2H6O = (Li+ C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 39.4 ± 2.6 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
![]() | 39.5 | kcal/mol | ICR | Woodin and Beauchamp, 1978 | gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 extrapolated; M |
![]() | 39. | kcal/mol | ICR | Staley and Beauchamp, 1975 | gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 27. | cal/mol*K | N/A | Woodin and Beauchamp, 1978 | gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 extrapolated; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 31.3 | kcal/mol | ICR | Woodin and Beauchamp, 1978 | gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 extrapolated; M |
Enthalpy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
39.4 (+2.5,-0.) | CID | More, Gledening, et al., 1996 | gas phase; guided ion beam CID; M |
By formula: C3H7O2+ + C2H6O = (C3H7O2+ C2H6O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 30.2 | kcal/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 28.8 | cal/mol*K | N/A | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 21.6 | kcal/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
By formula: C4H9O2+ + C2H6O = (C4H9O2+ C2H6O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 29.9 | kcal/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 29.1 | cal/mol*K | N/A | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 21.2 | kcal/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
By formula: (Na+ C2H6O) + C2H6O = (Na+
2C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 20. ± 2. | kcal/mol | AVG | N/A | Average of 7 values; Individual data points |
By formula: Na+ + C2H6O = (Na+ C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 24.0 ± 1.3 | kcal/mol | CIDC | Amicangelo and Armentrout, 2001 | Anchor NH3=24.41; RCD |
![]() | 21.9 ± 1.1 | kcal/mol | CIDT | Armentrout and Rodgers, 2000 | RCD |
![]() | 22.0 ± 1.2 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
![]() | 22.2 ± 1.2 | kcal/mol | CIDT | More, Ray, et al., 1997 | RCD |
Free energy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
17.6 | 298. | IMRE | McMahon and Ohanessian, 2000 | Anchor alanine=39.89; RCD |
17.6 | 298. | CIDC | McMahon and Ohanessian, 2000 | RCD |
By formula: C10H10Fe+ + C2H6O = (C10H10Fe+ C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 9. | kcal/mol | PHPMS | Meot-Ner (Mautner), 1989 | gas phase; Entropy change calculated or estimated, «DELTA»rH<, DG<; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 20. | cal/mol*K | N/A | Meot-Ner (Mautner), 1989 | gas phase; Entropy change calculated or estimated, «DELTA»rH<, DG<; M |
Free energy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.7 | 250. | PHPMS | Meot-Ner (Mautner), 1989 | gas phase; Entropy change calculated or estimated, «DELTA»rH<, DG<; M |
By formula: (CH5O+ 2CH4O) + C2H6O = (CH5O+
C2H6O
2CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 17.2 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n, note proton affinities, core ion may be (CH3)2OH+; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 28.6 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n, note proton affinities, core ion may be (CH3)2OH+; M |
By formula: (CH5O+ 3CH4O) + C2H6O = (CH5O+
C2H6O
3CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 13.7 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n, note proton affinities, core ion may be (CH3)2OH+; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 30.8 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n, note proton affinities, core ion may be (CH3)2OH+; M |
By formula: (CH5O+ CH4O) + C2H6O = (CH5O+
C2H6O
CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 21.9 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n, note proton affinities, core ion may be (CH3)2OH+; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 25.2 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n, note proton affinities, core ion may be (CH3)2OH+; M |
By formula: C2H7O+ + C2H6O = (C2H7O+ C2H6O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 32.0 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1991 | gas phase; M |
![]() | 30.7 | kcal/mol | PHPMS | Grimsrud and Kebarle, 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 31.9 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Sieck, 1991 | gas phase; M |
![]() | 29.6 | cal/mol*K | PHPMS | Grimsrud and Kebarle, 1973 | gas phase; M |
By formula: K+ + C2H6O = (K+ C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 17.4 ± 1.0 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
![]() | 22.2 | kcal/mol | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
![]() | 20.8 | kcal/mol | HPMS | Davidson and Kebarle, 1976, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 26.8 | cal/mol*K | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
![]() | 24.8 | cal/mol*K | HPMS | Davidson and Kebarle, 1976, 2 | gas phase; M |
By formula: CH5O+ + C2H6O = (CH5O+ C2H6O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 35.0 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n, note proton affinities, core ion may be ((CH3)2OH+; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 24.7 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n, note proton affinities, core ion may be ((CH3)2OH+; M |
By formula: (C2H7O+ C2H6O
2H2O) + C2H6O = (C2H7O+
2C2H6O
2H2O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 15.8 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n, Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 36.5 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n, Entropy change is questionable; M |
By formula: (C2H7O+ C2H6O) + H2O = (C2H7O+
H2O
C2H6O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 16.3 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n, Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 38.8 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n, Entropy change is questionable; M |
By formula: (C2H7O+ C2H6O
H2O) + C2H6O = (C2H7O+
2C2H6O
H2O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 16.8 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 26.6 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
By formula: (C2H7O+ 2C2H6O
H2O) + C2H6O = (C2H7O+
3C2H6O
H2O)
Bond type: Hydrogen bonds between protonated and neutral organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 21.7 | kcal/mol | PHPMS | Tholman, Tonner, et al., 1994 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 41.6 | cal/mol*K | PHPMS | Tholman, Tonner, et al., 1994 | gas phase; M |
By formula: (C2H7O+ 2CH4O
C2H6O) + CH4O = (C2H7O+
3CH4O
C2H6O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 12.2 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 26.5 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
By formula: (C2H7O+ CH4O
C2H6O) + CH4O = (C2H7O+
2CH4O
C2H6O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 15.1 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 30.6 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
By formula: (C2H7O+ H2O
2C2H6O) + H2O = (C2H7O+
2H2O
2C2H6O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 11.4 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 30.3 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
By formula: (C2H7O+ H2O
3C2H6O) + H2O = (C2H7O+
2H2O
3C2H6O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 11.4 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 30.3 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
By formula: (C2H7O+ 2H2O
C2H6O) + H2O = (C2H7O+
3H2O
C2H6O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 11.6 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 26.8 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
By formula: (C2H7O+ 2H2O) + C2H6O = (C2H7O+
C2H6O
2H2O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 16.4 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 22.8 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
By formula: (C2H7O+ 3H2O) + C2H6O = (C2H7O+
C2H6O
3H2O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 16.9 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 32.9 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
By formula: (C2H7O+ H2O
C2H6O) + H2O = (C2H7O+
2H2O
C2H6O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 13.6 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 24.6 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
By formula: (C2H7O+ H2O) + C2H6O = (C2H7O+
C2H6O
H2O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 18.5 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 26.3 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
By formula: (C2H7O+ 2CH4O) + C2H6O = (C2H7O+
C2H6O
2CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 16.6 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 31.8 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
By formula: (C2H7O+ 3CH4O) + C2H6O = (C2H7O+
C2H6O
3CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 12.5 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 25.6 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
By formula: (C2H7O+ C2H6O) + CH4O = (C2H7O+
CH4O
C2H6O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 18.1 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 30.6 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
By formula: (C2H7O+ CH4O) + C2H6O = (C2H7O+
C2H6O
CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 20.2 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 29.8 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
By formula: (C2H7O+ C2H6O) + C2H6O = (C2H7O+
2C2H6O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 10.1 | kcal/mol | PHPMS | Grimsrud and Kebarle, 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 27.9 | cal/mol*K | PHPMS | Grimsrud and Kebarle, 1973 | gas phase; M |
By formula: CH6N+ + C2H6O = (CH6N+ C2H6O)
Bond type: Hydrogen bonds of the type NH+-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 21.5 | kcal/mol | PHPMS | Meot-Ner, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 29.3 | cal/mol*K | PHPMS | Meot-Ner, 1984 | gas phase; M |
By formula: (Li+ 2C2H6O) + C2H6O = (Li+
3C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 21.3 ± 1.9 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
Enthalpy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
26.3 (+1.4,-0.) | CID | More, Gledening, et al., 1996 | gas phase; guided ion beam CID; M |
By formula: (Li+ 3C2H6O) + C2H6O = (Li+
4C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 16.3 ± 2.4 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
Enthalpy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
22.8 (+1.6,-0.) | CID | More, Gledening, et al., 1996 | gas phase; guided ion beam CID; M |
By formula: (Li+ C2H6O) + C2H6O = (Li+
2C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 28.9 ± 1.4 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
Enthalpy of reaction
![]() |
T (K) | Method | Reference | Comment |
---|---|---|---|---|
31.1 (+0.9,-0.) | CID | More, Gledening, et al., 1996 | gas phase; guided ion beam CID; M |
+
= C2H6ClO-
By formula: Cl- + C2H6O = C2H6ClO-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 7.50 ± 0.40 | kcal/mol | TDAs | Bogdanov, Lee, et al., 2001 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 2.9 ± 1.0 | kcal/mol | TDAs | Bogdanov, Lee, et al., 2001 | gas phase; B |
C2H5O- + =
By formula: C2H5O- + H+ = C2H6O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 407.0 ± 2.0 | kcal/mol | Bran | DePuy, Bierbaum, et al., 1984 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
![]() | 398.2 ± 2.2 | kcal/mol | H-TS | DePuy, Bierbaum, et al., 1984 | gas phase; B |
By formula: (Na+ 2C2H6O) + C2H6O = (Na+
3C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 16.7 ± 1.2 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
![]() | 16.0 ± 1.2 | kcal/mol | CIDT | More, Ray, et al., 1997 | RCD |
By formula: (Na+ 3C2H6O) + C2H6O = (Na+
4C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 14.6 ± 1.0 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
![]() | 13.9 ± 1.0 | kcal/mol | CIDT | More, Ray, et al., 1997 | RCD |
By formula: (K+ 2C2H6O) + C2H6O = (K+
3C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 13.6 ± 1.0 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: (K+ 3C2H6O) + C2H6O = (K+
4C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 12.0 ± 1.9 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: (Cs+ 2C2H6O) + C2H6O = (Cs+
3C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 9.6 ± 2.2 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: (Cs+ C2H6O) + C2H6O = (Cs+
2C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 11.2 ± 1.4 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: (Rb+ 2C2H6O) + C2H6O = (Rb+
3C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 8.8 ± 2.6 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: (Rb+ C2H6O) + C2H6O = (Rb+
2C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 13.1 ± 1.2 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: (K+ C2H6O) + C2H6O = (K+
2C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 16.5 ± 1.2 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: (Cu+ 2C2H6O) + C2H6O = (Cu+
3C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 13.1 ± 1.0 | kcal/mol | CIDT | Koizumi, 2001 | RCD |
By formula: (Cu+ 3C2H6O) + C2H6O = (Cu+
4C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 10.8 ± 2.4 | kcal/mol | CIDT | Koizumi, 2001 | RCD |
By formula: (Cu+ C2H6O) + C2H6O = (Cu+
2C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 46.1 ± 1.9 | kcal/mol | CIDT | Koizumi, 2001 | RCD |
By formula: Cs+ + C2H6O = (Cs+ C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 13.6 ± 1.2 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: Rb+ + C2H6O = (Rb+ C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
![]() | 14.8 ± 2.2 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References, Notes
Data compiled by: Coblentz Society, Inc.
- GAS; DOW KBr FOREPRISM-GRATING; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS)
2, 4 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Vibrational and/or electronic energy levels, 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
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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. |
---|---|
NIST MS number | 78 |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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: Takehiko Shimanouchi
Symmetry: C2
Symmetry Number
= 2
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
a1 | 1 | CH3 d-str | 2996 | B | 2996 S | gas | 2989 S | liq. | ||
a1 | 2 | CH3 s-str | 2817 | B | 2817 S | gas | 2815 VS p | liq. | ||
a1 | 3 | CH3 d-deform | 1464 | D | 1464 M | gas | ||||
a1 | 4 | CH3 s-deform | 1452 | D | 1452 M | gas | 1452 S dp | liq. | ||
a1 | 5 | CH3 rock | 1244 | B | 1244 W | gas | ||||
a1 | 6 | CO s-str | 928 | B | 928 S | gas | 922 S p | liq. | ||
a1 | 7 | COC deform | 418 | C | 418 M | gas | 428 M p | liq. | ||
a2 | 8 | CH3 d-str | 2952 | C | ia | 2952 S | liq. | |||
a2 | 9 | CH3 d-deform | 1464 | D | ia | SF(«nu»3) | ||||
a2 | 10 | CH3 rock | 1150 | C | ia | 1150 M d | liq. | |||
a2 | 11 | Torsion | 203 | E | ia | CF | ||||
b1 | 12 | CH3 d-str | 2996 | B | 2996 S | gas | 2989 S | liq. | OV(«nu»1) | |
b1 | 13 | CH3 s-str | 2817 | B | 2817 S | gas | 2815 VS p | liq. | OV(«nu»2) | |
b1 | 14 | CH3 d-deform | 1464 | D | 1464 M | gas | OV(«nu»3) | |||
b1 | 15 | CH3 s-deform | 1452 | D | 1452 M | gas | 1452 S dp | liq. | OV(«nu»4) | |
b1 | 16 | CH3 rock | 1227 | C | 1227 W | liq. | ||||
b1 | 17 | CO a-str | 1102 | B | 1102 VS | gas | 1104 M dp | liq. | ||
b2 | 18 | CH3 d-str | 2925 | B | 2925 S | gas | ||||
b2 | 19 | CH3 d-deform | 1464 | D | 1464 M | gas | OV(«nu»3) | |||
b2 | 20 | CH3 rock | 1179 | B | 1179 VS | gas | 1170 sh | liq. | ||
b2 | 21 | Torsion | 242 | C | 242 W | gas | ||||
Source: Shimanouchi, 1972
Notes
d | Photodissociation threshold |
VS | Very strong |
S | Strong |
M | Medium |
W | Weak |
ia | Inactive |
sh | Shoulder |
p | Polarized |
dp | Depolarized |
CF | Calculated frequency |
SF | Calculation shows that the frequency approximately equals that of the vibration indicated in the parentheses. |
OV | Overlapped by band indicated in parentheses. |
B | 1~3 cm-1 uncertainty |
C | 3~6 cm-1 uncertainty |
D | 6~15 cm-1 uncertainty |
E | 15~30 cm-1 uncertainty |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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Notes
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- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Cp,liquid Constant pressure heat capacity of liquid Pc Critical pressure S°liquid Entropy of liquid at standard conditions T Temperature Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature Vc Critical volume cH°gas
Enthalpy of combustion of gas at standard conditions fH°gas
Enthalpy of formation of gas at standard conditions fusH
Enthalpy of fusion fusS
Entropy of fusion rG°
Free energy of reaction at standard conditions rH°
Enthalpy of reaction at standard conditions rS°
Entropy of reaction at standard conditions vapH
Enthalpy of vaporization vapH°
Enthalpy of vaporization at standard conditions vapS
Entropy of vaporization c
Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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