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-
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- Information on this page:
- Other data available:
- Reaction thermochemistry data: reactions 51 to 52
- Henry's Law data
- Vibrational and/or electronic energy levels
- Gas Chromatography
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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 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 |
---|---|---|---|---|---|
ΔfH°gas | -43.99 ± 0.12 | kcal/mol | Ccb | Pilcher, Pell, et al., 1964 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°gas | -349.04 ± 0.11 | kcal/mol | Ccb | Pilcher, Pell, et al., 1964 | Corresponding ΔfHºgas = -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, Gas phase ion energetics data, Ion clustering 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: 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, Gas phase ion energetics data, Ion clustering 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 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 |
ρc | 5.351 | mol/l | N/A | Edwards and Maass, 1935 | Uncertainty assigned by TRC = 0.43 mol/l; TRC |
ρc | 4.895 | mol/l | N/A | Tapp, Steacie, et al., 1933 | Uncertainty assigned by TRC = 0.65 mol/l; TRC |
ρc | 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 |
ΔvapH° | 4.61 | kcal/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 4.42 | kcal/mol | N/A | Ambrose, Ellender, et al., 1976 | Based on data from 171. to 248. K.; AC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | 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. to 265. K.; AC |
5.45 | 234. | A | Stephenson and Malanowski, 1987 | Based on data from 180. to 249. K.; AC |
5.07 | 308. | A | Stephenson and Malanowski, 1987 | Based on data from 293. to 360. K.; AC |
5.04 | 364. | A | Stephenson and Malanowski, 1987 | Based on data from 349. to 400. K.; AC |
5.31 | 256. | A | Stephenson and Malanowski, 1987 | Based on data from 241. to 303. K.; AC |
5.11 | 248. | N/A | Ambrose, Ellender, et al., 1976 | Based on data from 171. to 248. K.; AC |
5.43 | 233. | N/A | Kennedy, Sagenkahn, et al., 1941 | Based on data from 195. to 248. K.; AC |
5.14 ± 0.02 | 248. | C | Kennedy, Sagenkahn, et al., 1941 | AC |
Entropy of vaporization
ΔvapS (cal/mol*K) | 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 to 248.24 | 4.10904 | 894.669 | -30.604 | Kennedy, Sagenkahn, et al., 1941 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kcal/mol) | 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
ΔfusS (cal/mol*K) | 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, Gas phase ion energetics data, Ion clustering 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 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 |
---|---|---|---|---|---|
ΔrH° | 39.4 ± 2.6 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
ΔrH° | 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 |
ΔrH° | 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 |
ΔrS° | 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 |
ΔrG° | 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
ΔrH° (kcal/mol) | 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 |
---|---|---|---|---|---|
ΔrH° | 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 |
ΔrS° | 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 |
ΔrG° | 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 |
---|---|---|---|---|---|
ΔrH° | 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 |
ΔrS° | 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 |
ΔrG° | 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 |
---|---|---|---|---|---|
ΔrH° | 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 |
---|---|---|---|---|---|
ΔrH° | 24.0 ± 1.3 | kcal/mol | CIDC | Amicangelo and Armentrout, 2001 | Anchor NH3=24.41; RCD |
ΔrH° | 21.9 ± 1.1 | kcal/mol | CIDT | Armentrout and Rodgers, 2000 | RCD |
ΔrH° | 22.0 ± 1.2 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
ΔrH° | 22.2 ± 1.2 | kcal/mol | CIDT | More, Ray, et al., 1997 | RCD |
Free energy of reaction
ΔrG° (kcal/mol) | 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 |
---|---|---|---|---|---|
ΔrH° | 9. | kcal/mol | PHPMS | Meot-Ner (Mautner), 1989 | gas phase; Entropy change calculated or estimated, ΔrH<, DG<; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | N/A | Meot-Ner (Mautner), 1989 | gas phase; Entropy change calculated or estimated, ΔrH<, DG<; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.7 | 250. | PHPMS | Meot-Ner (Mautner), 1989 | gas phase; Entropy change calculated or estimated, ΔrH<, 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 |
---|---|---|---|---|---|
ΔrH° | 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 |
ΔrS° | 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 |
---|---|---|---|---|---|
ΔrH° | 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 |
ΔrS° | 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 |
---|---|---|---|---|---|
ΔrH° | 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 |
ΔrS° | 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 |
---|---|---|---|---|---|
ΔrH° | 32.0 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1991 | gas phase; M |
ΔrH° | 30.7 | kcal/mol | PHPMS | Grimsrud and Kebarle, 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 31.9 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Sieck, 1991 | gas phase; M |
ΔrS° | 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 |
---|---|---|---|---|---|
ΔrH° | 17.4 ± 1.0 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
ΔrH° | 22.2 | kcal/mol | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
ΔrH° | 20.8 | kcal/mol | HPMS | Davidson and Kebarle, 1976, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.8 | cal/mol*K | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
ΔrS° | 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 |
---|---|---|---|---|---|
ΔrH° | 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 |
ΔrS° | 24.7 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n, note proton affinities, core ion may be ((CH3)2OH+; M |
(C2H7O+ • • 2
) +
= (C2H7O+ • 2
• 2
)
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 |
---|---|---|---|---|---|
ΔrH° | 15.8 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n, Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 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 |
---|---|---|---|---|---|
ΔrH° | 16.3 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n, Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 38.8 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n, Entropy change is questionable; M |
(C2H7O+ • •
) +
= (C2H7O+ • 2
•
)
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 |
---|---|---|---|---|---|
ΔrH° | 16.8 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.6 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
(C2H7O+ • 2 •
) +
= (C2H7O+ • 3
•
)
By formula: (C2H7O+ • 2C2H6O • H2O) + C2H6O = (C2H7O+ • 3C2H6O • H2O)
Bond type: Hydrogen bonds between protonated and neutral organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.7 | kcal/mol | PHPMS | Tholman, Tonner, et al., 1994 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 41.6 | cal/mol*K | PHPMS | Tholman, Tonner, et al., 1994 | gas phase; M |
(C2H7O+ • 2 •
) +
= (C2H7O+ • 3
•
)
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 |
---|---|---|---|---|---|
ΔrH° | 12.2 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.5 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
(C2H7O+ • •
) +
= (C2H7O+ • 2
•
)
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 |
---|---|---|---|---|---|
ΔrH° | 15.1 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 30.6 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
(C2H7O+ • • 2
) +
= (C2H7O+ • 2
• 2
)
By formula: (C2H7O+ • H2O • 2C2H6O) + H2O = (C2H7O+ • 2H2O • 2C2H6O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.4 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 30.3 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
(C2H7O+ • • 3
) +
= (C2H7O+ • 2
• 3
)
By formula: (C2H7O+ • H2O • 3C2H6O) + H2O = (C2H7O+ • 2H2O • 3C2H6O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.4 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 30.3 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
(C2H7O+ • 2 •
) +
= (C2H7O+ • 3
•
)
By formula: (C2H7O+ • 2H2O • C2H6O) + H2O = (C2H7O+ • 3H2O • C2H6O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.6 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.8 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
(C2H7O+ • 2) +
= (C2H7O+ •
• 2
)
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 |
---|---|---|---|---|---|
ΔrH° | 16.4 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.8 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
(C2H7O+ • 3) +
= (C2H7O+ •
• 3
)
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 |
---|---|---|---|---|---|
ΔrH° | 16.9 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 32.9 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
(C2H7O+ • •
) +
= (C2H7O+ • 2
•
)
By formula: (C2H7O+ • H2O • C2H6O) + H2O = (C2H7O+ • 2H2O • C2H6O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.6 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 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 |
---|---|---|---|---|---|
ΔrH° | 18.5 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.3 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
(C2H7O+ • 2) +
= (C2H7O+ •
• 2
)
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 |
---|---|---|---|---|---|
ΔrH° | 16.6 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 31.8 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
(C2H7O+ • 3) +
= (C2H7O+ •
• 3
)
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 |
---|---|---|---|---|---|
ΔrH° | 12.5 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 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 |
---|---|---|---|---|---|
ΔrH° | 18.1 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 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 |
---|---|---|---|---|---|
ΔrH° | 20.2 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 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 |
---|---|---|---|---|---|
ΔrH° | 10.1 | kcal/mol | PHPMS | Grimsrud and Kebarle, 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 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 |
---|---|---|---|---|---|
ΔrH° | 21.5 | kcal/mol | PHPMS | Meot-Ner, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 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 |
---|---|---|---|---|---|
ΔrH° | 21.3 ± 1.9 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | 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 |
---|---|---|---|---|---|
ΔrH° | 16.3 ± 2.4 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | 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 |
---|---|---|---|---|---|
ΔrH° | 28.9 ± 1.4 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | 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 |
---|---|---|---|---|---|
ΔrH° | 7.50 ± 0.40 | kcal/mol | TDAs | Bogdanov, Lee, et al., 2001 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 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 |
---|---|---|---|---|---|
ΔrH° | 407.0 ± 2.0 | kcal/mol | Bran | DePuy, Bierbaum, et al., 1984 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 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 |
---|---|---|---|---|---|
ΔrH° | 16.7 ± 1.2 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
ΔrH° | 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 |
---|---|---|---|---|---|
ΔrH° | 14.6 ± 1.0 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
ΔrH° | 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 |
---|---|---|---|---|---|
ΔrH° | 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 |
---|---|---|---|---|---|
ΔrH° | 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 |
---|---|---|---|---|---|
ΔrH° | 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 |
---|---|---|---|---|---|
ΔrH° | 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 |
---|---|---|---|---|---|
ΔrH° | 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 |
---|---|---|---|---|---|
ΔrH° | 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 |
---|---|---|---|---|---|
ΔrH° | 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 |
---|---|---|---|---|---|
ΔrH° | 13.1 ± 1.0 | kcal/mol | CIDT | Koizumi, 2001 | RCD |
By formula: (Cu+ • 3C2H6O) + C2H6O = (Cu+ • 4C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.8 ± 2.4 | kcal/mol | CIDT | Koizumi, 2001 | RCD |
By formula: (Cu+ • C2H6O) + C2H6O = (Cu+ • 2C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 46.1 ± 1.9 | kcal/mol | CIDT | Koizumi, 2001 | RCD |
By formula: Cs+ + C2H6O = (Cs+ • C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.6 ± 1.2 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: Rb+ + C2H6O = (Rb+ • C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.8 ± 2.2 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to C2H6O+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 10.025 ± 0.025 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 189. | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 182.7 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.025 ± 0.025 | PIPECO | Butler, Holland, et al., 1984 | LBLHLM |
9.95 ± 0.07 | EI | Bowen and Maccoll, 1984 | LBLHLM |
10.04 | PE | Kimura, Katsumata, et al., 1981 | LLK |
9.8 ± 0.1 | PE | Aue, Webb, et al., 1980 | LLK |
9.8 | PE | Aue and Bowers, 1979 | LLK |
10.01 ± 0.01 | PI | Botter, Pechine, et al., 1977 | LLK |
9.94 ± 0.01 | PE | Cocksey, Eland, et al., 1971 | LLK |
10.1 ± 0.2 | EI | Ivko, 1970 | RDSH |
9.94 | PE | Dewar and Worley, 1969 | RDSH |
9.96 ± 0.05 | S | Hernandez, 1963 | RDSH |
10.00 ± 0.02 | PI | Watanabe, 1957 | RDSH |
10.0 | PE | Bajic, Humski, et al., 1985 | Vertical value; LBLHLM |
10.1 | PE | Bieri, Asbrink, et al., 1982 | Vertical value; LBLHLM |
11.94 | PE | Utsunomiya, Kobayashi, et al., 1980 | Vertical value; LLK |
10.0 ± 0.2 | PE | Carnovale, Livett, et al., 1980 | Vertical value; LLK |
10.1 | PE | Aue and Bowers, 1979 | Vertical value; LLK |
10.03 | PE | Kobayashi, 1978 | Vertical value; LLK |
9.98 | PE | Benoit and Harrison, 1977 | Vertical value; LLK |
10.052 | PE | Aue, Webb, et al., 1975 | Vertical value; LLK |
10.04 | PE | Bock, Mollere, et al., 1973 | Vertical value; LLK |
10.04 | PE | Cradock and Whiteford, 1972 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CHO+ | ≤12.85 ± 0.10 | H2+CH3 | PIPECO | Butler, Holland, et al., 1984 | T = 298K; LBLHLM |
CHO+ | 14.0 ± 0.2 | ? | EI | Ivko, 1970 | RDSH |
CH3+ | ≤14.4 ± 0.1 | CH2O+H | PIPECO | Butler, Holland, et al., 1984 | T = 298K; LBLHLM |
CH3+ | 14.93 ± 0.13 | ? | EI | Haney and Franklin, 1969 | RDSH |
CH3O+ | ≤11.85 ± 0.10 | CH3 | PIPECO | Butler, Holland, et al., 1984 | T = 298K; LBLHLM |
CH3O+ | ≤11.8 | CH3 | EI | Lossing, 1977 | LLK |
CH3O+ | 12.4 ± 0.1 | CH3 | EI | Ivko, 1970 | RDSH |
CH3O+ | 11.95 ± 0.05 | CH3 | EI | Haney and Franklin, 1969 | RDSH |
C2H5O+ | 11.115 ± 0.010 | H | PIPECO | Butler, Holland, et al., 1984 | T = 0K; LBLHLM |
C2H5O+ | 10.99 ± 0.08 | H | EI | Bowen and Maccoll, 1984 | LBLHLM |
C2H5O+ | 10.99 | H | EI | Lossing, 1977 | LLK |
C2H5O+ | 11.23 ± 0.04 | H | EI | Solka and Russell, 1974 | LLK |
C2H5O+ | 10.70 ± 0.13 | H | EI | Finney and Harrison, 1972 | LLK |
C2H5O+ | 11.55 ± 0.15 | H | EI | Ivko, 1970 | RDSH |
C2H5O+ | 11.42 ± 0.01 | H | EI | Martin, Lampe, et al., 1966 | RDSH |
De-protonation reactions
C2H5O- + =
By formula: C2H5O- + H+ = C2H6O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 407.0 ± 2.0 | kcal/mol | Bran | DePuy, Bierbaum, et al., 1984 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 398.2 ± 2.2 | kcal/mol | H-TS | DePuy, Bierbaum, et al., 1984 | gas phase; B |
Ion clustering data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics 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 as indicated in comments:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
RCD - Robert C. Dunbar
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
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 |
---|---|---|---|---|---|
ΔrH° | 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 |
ΔrS° | 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: (CH5O+ • 2CH4O) + C2H6O = (CH5O+ • C2H6O • 2CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 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 |
ΔrS° | 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 |
---|---|---|---|---|---|
ΔrH° | 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 |
ΔrS° | 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+ + C2H6O = (CH5O+ • C2H6O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 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 |
ΔrS° | 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: CH6N+ + C2H6O = (CH6N+ • C2H6O)
Bond type: Hydrogen bonds of the type NH+-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.5 | kcal/mol | PHPMS | Meot-Ner, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.3 | cal/mol*K | PHPMS | Meot-Ner, 1984 | gas phase; 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 |
---|---|---|---|---|---|
ΔrH° | 20.2 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.8 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
(C2H7O+ • 2) +
= (C2H7O+ •
• 2
)
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 |
---|---|---|---|---|---|
ΔrH° | 16.6 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 31.8 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
(C2H7O+ • 3) +
= (C2H7O+ •
• 3
)
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 |
---|---|---|---|---|---|
ΔrH° | 12.5 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.6 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
By formula: C2H7O+ + C2H6O = (C2H7O+ • C2H6O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 32.0 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1991 | gas phase; M |
ΔrH° | 30.7 | kcal/mol | PHPMS | Grimsrud and Kebarle, 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 31.9 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Sieck, 1991 | gas phase; M |
ΔrS° | 29.6 | cal/mol*K | PHPMS | Grimsrud and Kebarle, 1973 | gas phase; 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 |
---|---|---|---|---|---|
ΔrH° | 10.1 | kcal/mol | PHPMS | Grimsrud and Kebarle, 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.9 | cal/mol*K | PHPMS | Grimsrud and Kebarle, 1973 | gas phase; M |
(C2H7O+ • •
) +
= (C2H7O+ • 2
•
)
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 |
---|---|---|---|---|---|
ΔrH° | 16.8 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.6 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
(C2H7O+ • • 2
) +
= (C2H7O+ • 2
• 2
)
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 |
---|---|---|---|---|---|
ΔrH° | 15.8 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n, Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 36.5 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n, Entropy change is questionable; M |
(C2H7O+ • 2 •
) +
= (C2H7O+ • 3
•
)
By formula: (C2H7O+ • 2C2H6O • H2O) + C2H6O = (C2H7O+ • 3C2H6O • H2O)
Bond type: Hydrogen bonds between protonated and neutral organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.7 | kcal/mol | PHPMS | Tholman, Tonner, et al., 1994 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 41.6 | cal/mol*K | PHPMS | Tholman, Tonner, et al., 1994 | gas phase; 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 |
---|---|---|---|---|---|
ΔrH° | 18.5 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.3 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
(C2H7O+ • 2) +
= (C2H7O+ •
• 2
)
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 |
---|---|---|---|---|---|
ΔrH° | 16.4 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.8 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
(C2H7O+ • 3) +
= (C2H7O+ •
• 3
)
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 |
---|---|---|---|---|---|
ΔrH° | 16.9 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 32.9 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
By formula: C3H7O2+ + C2H6O = (C3H7O2+ • C2H6O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 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 |
ΔrS° | 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 |
ΔrG° | 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 |
---|---|---|---|---|---|
ΔrH° | 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 |
ΔrS° | 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 |
ΔrG° | 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: C10H10Fe+ + C2H6O = (C10H10Fe+ • C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9. | kcal/mol | PHPMS | Meot-Ner (Mautner), 1989 | gas phase; Entropy change calculated or estimated, ΔrH<, DG<; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | N/A | Meot-Ner (Mautner), 1989 | gas phase; Entropy change calculated or estimated, ΔrH<, DG<; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.7 | 250. | PHPMS | Meot-Ner (Mautner), 1989 | gas phase; Entropy change calculated or estimated, ΔrH<, DG<; M |
+
= C2H6ClO-
By formula: Cl- + C2H6O = C2H6ClO-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.50 ± 0.40 | kcal/mol | TDAs | Bogdanov, Lee, et al., 2001 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.9 ± 1.0 | kcal/mol | TDAs | Bogdanov, Lee, et al., 2001 | gas phase; B |
By formula: Cs+ + C2H6O = (Cs+ • C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.6 ± 1.2 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: (Cs+ • C2H6O) + C2H6O = (Cs+ • 2C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.2 ± 1.4 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: (Cs+ • 2C2H6O) + C2H6O = (Cs+ • 3C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.6 ± 2.2 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: Cu+ + C2H6O = (Cu+ • C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 44.2 ± 2.9 | kcal/mol | CIDT | Koizumi, 2001 | RCD |
By formula: (Cu+ • C2H6O) + C2H6O = (Cu+ • 2C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 46.1 ± 1.9 | kcal/mol | CIDT | Koizumi, 2001 | RCD |
By formula: (Cu+ • 2C2H6O) + C2H6O = (Cu+ • 3C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.1 ± 1.0 | kcal/mol | CIDT | Koizumi, 2001 | RCD |
By formula: (Cu+ • 3C2H6O) + C2H6O = (Cu+ • 4C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.8 ± 2.4 | kcal/mol | CIDT | Koizumi, 2001 | RCD |
By formula: K+ + C2H6O = (K+ • C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.4 ± 1.0 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
ΔrH° | 22.2 | kcal/mol | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
ΔrH° | 20.8 | kcal/mol | HPMS | Davidson and Kebarle, 1976, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.8 | cal/mol*K | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
ΔrS° | 24.8 | cal/mol*K | HPMS | Davidson and Kebarle, 1976, 2 | gas phase; M |
By formula: (K+ • C2H6O) + C2H6O = (K+ • 2C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.5 ± 1.2 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: (K+ • 2C2H6O) + C2H6O = (K+ • 3C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 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 |
---|---|---|---|---|---|
ΔrH° | 12.0 ± 1.9 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: Li+ + C2H6O = (Li+ • C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 39.4 ± 2.6 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
ΔrH° | 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 |
ΔrH° | 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 |
ΔrS° | 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 |
ΔrG° | 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
ΔrH° (kcal/mol) | 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: (Li+ • C2H6O) + C2H6O = (Li+ • 2C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 28.9 ± 1.4 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
31.1 (+0.9,-0.) | CID | More, Gledening, et al., 1996 | gas phase; guided ion beam CID; M |
By formula: (Li+ • 2C2H6O) + C2H6O = (Li+ • 3C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.3 ± 1.9 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | 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 |
---|---|---|---|---|---|
ΔrH° | 16.3 ± 2.4 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | 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: Na+ + C2H6O = (Na+ • C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 24.0 ± 1.3 | kcal/mol | CIDC | Amicangelo and Armentrout, 2001 | Anchor NH3=24.41; RCD |
ΔrH° | 21.9 ± 1.1 | kcal/mol | CIDT | Armentrout and Rodgers, 2000 | RCD |
ΔrH° | 22.0 ± 1.2 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
ΔrH° | 22.2 ± 1.2 | kcal/mol | CIDT | More, Ray, et al., 1997 | RCD |
Free energy of reaction
ΔrG° (kcal/mol) | 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: (Na+ • C2H6O) + C2H6O = (Na+ • 2C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20. ± 2. | kcal/mol | AVG | N/A | Average of 7 values; Individual data points |
By formula: (Na+ • 2C2H6O) + C2H6O = (Na+ • 3C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.7 ± 1.2 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
ΔrH° | 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 |
---|---|---|---|---|---|
ΔrH° | 14.6 ± 1.0 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
ΔrH° | 13.9 ± 1.0 | kcal/mol | CIDT | More, Ray, et al., 1997 | RCD |
By formula: Rb+ + C2H6O = (Rb+ • C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.8 ± 2.2 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: (Rb+ • C2H6O) + C2H6O = (Rb+ • 2C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.1 ± 1.2 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: (Rb+ • 2C2H6O) + C2H6O = (Rb+ • 3C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.8 ± 2.6 | 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, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), 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, Gas phase ion energetics data, Ion clustering data, 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 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 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, 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.
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Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy Cp,gas Constant pressure heat capacity of gas Cp,liquid Constant pressure heat capacity of liquid IE (evaluated) Recommended ionization energy 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 ΔcH°gas Enthalpy of combustion of gas at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ΔvapS Entropy of vaporization ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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