Dimethyl ether

• Formula: C₂H₆O
• Molecular weight: 46.0684
• IUPAC Standard InChI:
  

  InChI=1S/C2H6O/c1-3-2/h1-2H3 Download the identifier in a file.

• 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:
  • (CD3)2O
• 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:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data (reactions 1 to 50)
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• 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:
  • Computational Chemistry Comparison and Benchmark Database
  • Gas Phase Kinetics Database
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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
fH°gas	-43.99 ± 0.12	kcal/mol	Ccb	Pilcher, Pell, et al., 1964	ALS
Quantity	Value	Units	Method	Reference	Comment
cH°gas	-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

Constant pressure heat capacity of gas

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

Constant pressure heat capacity of liquid

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	249. ± 1.	K	AVG	N/A	Average of 6 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
Tfus	131.65	K	N/A	Anonymous, 1968	TRC
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
c	5.351	mol/l	N/A	Edwards and Maass, 1935	Uncertainty assigned by TRC = 0.43 mol/l; TRC
c	4.895	mol/l	N/A	Tapp, Steacie, et al., 1933	Uncertainty assigned by TRC = 0.65 mol/l; TRC
c	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
vapH°	4.61	kcal/mol	N/A	Majer and Svoboda, 1985
vapH°	4.42	kcal/mol	N/A	Ambrose, Ellender, et al., 1976	Based on data from 171. - 248. K.; AC

Enthalpy of vaporization

vapH (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. - 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

vapS (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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Enthalpy of fusion

fusH (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

fusS (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, 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
rH°	39.4 ± 2.6	kcal/mol	CIDT	Rodgers and Armentrout, 2000	RCD
rH°	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
rH°	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
rS°	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
rG°	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

rH° (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

C₃H₇O₂⁺ +  = (C₃H₇O₂⁺  )

By formula: C₃H₇O₂⁺ + C₂H₆O = (C₃H₇O₂⁺  C₂H₆O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity	Value	Units	Method	Reference	Comment
rH°	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
rS°	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
rG°	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

C₄H₉O₂⁺ +  = (C₄H₉O₂⁺  )

By formula: C₄H₉O₂⁺ + C₂H₆O = (C₄H₉O₂⁺  C₂H₆O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity	Value	Units	Method	Reference	Comment
rH°	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
rS°	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
rG°	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

(  ) +  = (  2)

By formula: (Na⁺  C₂H₆O) + C₂H₆O = (Na⁺  2C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
rH°	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
rH°	24.0 ± 1.3	kcal/mol	CIDC	Amicangelo and Armentrout, 2001	Anchor NH3=24.41; RCD
rH°	21.9 ± 1.1	kcal/mol	CIDT	Armentrout and Rodgers, 2000	RCD
rH°	22.0 ± 1.2	kcal/mol	CIDT	Rodgers and Armentrout, 2000	RCD
rH°	22.2 ± 1.2	kcal/mol	CIDT	More, Ray, et al., 1997	RCD

Free energy of reaction

rG° (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

C₁₀H₁₀Fe⁺ +  = (C₁₀H₁₀Fe⁺  )

By formula: C₁₀H₁₀Fe⁺ + C₂H₆O = (C₁₀H₁₀Fe⁺  C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
rH°	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
rS°	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

rG° (kcal/mol)	T (K)	Method	Reference	Comment
3.7	250.	PHPMS	Meot-Ner (Mautner), 1989	gas phase; Entropy change calculated or estimated, «DELTA»rH<, DG<; M

(CH₅O⁺  2) +  = (CH₅O⁺    2)

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
rH°	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
rS°	28.6	cal/mol*K	PHPMS	Hiraoka, Grimsrud, et al., 1974	gas phase; n, note proton affinities, core ion may be (CH3)2OH+; M

(CH₅O⁺  3) +  = (CH₅O⁺    3)

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
rH°	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
rS°	30.8	cal/mol*K	PHPMS	Hiraoka, Grimsrud, et al., 1974	gas phase; n, note proton affinities, core ion may be (CH3)2OH+; M

(CH₅O⁺  ) +  = (CH₅O⁺    )

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
rH°	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
rS°	25.2	cal/mol*K	PHPMS	Hiraoka, Grimsrud, et al., 1974	gas phase; n, note proton affinities, core ion may be (CH3)2OH+; M

C₂H₇O⁺ +  = (C₂H₇O⁺  )

By formula: C₂H₇O⁺ + C₂H₆O = (C₂H₇O⁺  C₂H₆O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity	Value	Units	Method	Reference	Comment
rH°	32.0	kcal/mol	PHPMS	Meot-Ner (Mautner) and Sieck, 1991	gas phase; M
rH°	30.7	kcal/mol	PHPMS	Grimsrud and Kebarle, 1973	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
rS°	31.9	cal/mol*K	PHPMS	Meot-Ner (Mautner) and Sieck, 1991	gas phase; M
rS°	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
rH°	17.4 ± 1.0	kcal/mol	CIDT	Rodgers and Armentrout, 2000	RCD
rH°	22.2	kcal/mol	HPMS	Davidson and Kebarle, 1976	gas phase; M
rH°	20.8	kcal/mol	HPMS	Davidson and Kebarle, 1976, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
rS°	26.8	cal/mol*K	HPMS	Davidson and Kebarle, 1976	gas phase; M
rS°	24.8	cal/mol*K	HPMS	Davidson and Kebarle, 1976, 2	gas phase; M

CH₅O⁺ +  = (CH₅O⁺  )

By formula: CH₅O⁺ + C₂H₆O = (CH₅O⁺  C₂H₆O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity	Value	Units	Method	Reference	Comment
rH°	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
rS°	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
rH°	15.8	kcal/mol	PHPMS	Hiraoka, Grimsrud, et al., 1974	gas phase; n, Entropy change is questionable; M
Quantity	Value	Units	Method	Reference	Comment
rS°	36.5	cal/mol*K	PHPMS	Hiraoka, Grimsrud, et al., 1974	gas phase; n, Entropy change is questionable; M

(C₂H₇O⁺  ) +  = (C₂H₇O⁺    )

By formula: (C₂H₇O⁺  C₂H₆O) + H₂O = (C₂H₇O⁺  H₂O  C₂H₆O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity	Value	Units	Method	Reference	Comment
rH°	16.3	kcal/mol	PHPMS	Hiraoka, Grimsrud, et al., 1974	gas phase; n, Entropy change is questionable; M
Quantity	Value	Units	Method	Reference	Comment
rS°	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
rH°	16.8	kcal/mol	PHPMS	Hiraoka, Grimsrud, et al., 1974	gas phase; n; M
Quantity	Value	Units	Method	Reference	Comment
rS°	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
rH°	21.7	kcal/mol	PHPMS	Tholman, Tonner, et al., 1994	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
rS°	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
rH°	12.2	kcal/mol	PHPMS	Hiraoka, Grimsrud, et al., 1974	gas phase; n; M
Quantity	Value	Units	Method	Reference	Comment
rS°	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
rH°	15.1	kcal/mol	PHPMS	Hiraoka, Grimsrud, et al., 1974	gas phase; n; M
Quantity	Value	Units	Method	Reference	Comment
rS°	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
rH°	11.4	kcal/mol	PHPMS	Hiraoka, Grimsrud, et al., 1974	gas phase; n; M
Quantity	Value	Units	Method	Reference	Comment
rS°	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
rH°	11.4	kcal/mol	PHPMS	Hiraoka, Grimsrud, et al., 1974	gas phase; n; M
Quantity	Value	Units	Method	Reference	Comment
rS°	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
rH°	11.6	kcal/mol	PHPMS	Hiraoka, Grimsrud, et al., 1974	gas phase; n; M
Quantity	Value	Units	Method	Reference	Comment
rS°	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
rH°	16.4	kcal/mol	PHPMS	Hiraoka, Grimsrud, et al., 1974	gas phase; n; M
Quantity	Value	Units	Method	Reference	Comment
rS°	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
rH°	16.9	kcal/mol	PHPMS	Hiraoka, Grimsrud, et al., 1974	gas phase; n; M
Quantity	Value	Units	Method	Reference	Comment
rS°	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
rH°	13.6	kcal/mol	PHPMS	Hiraoka, Grimsrud, et al., 1974	gas phase; n; M
Quantity	Value	Units	Method	Reference	Comment
rS°	24.6	cal/mol*K	PHPMS	Hiraoka, Grimsrud, et al., 1974	gas phase; n; M

(C₂H₇O⁺  ) +  = (C₂H₇O⁺    )

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
rH°	18.5	kcal/mol	PHPMS	Hiraoka, Grimsrud, et al., 1974	gas phase; n; M
Quantity	Value	Units	Method	Reference	Comment
rS°	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
rH°	16.6	kcal/mol	PHPMS	Hiraoka, Grimsrud, et al., 1974	gas phase; n; M
Quantity	Value	Units	Method	Reference	Comment
rS°	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
rH°	12.5	kcal/mol	PHPMS	Hiraoka, Grimsrud, et al., 1974	gas phase; n; M
Quantity	Value	Units	Method	Reference	Comment
rS°	25.6	cal/mol*K	PHPMS	Hiraoka, Grimsrud, et al., 1974	gas phase; n; M

(C₂H₇O⁺  ) +  = (C₂H₇O⁺    )

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
rH°	18.1	kcal/mol	PHPMS	Hiraoka, Grimsrud, et al., 1974	gas phase; n; M
Quantity	Value	Units	Method	Reference	Comment
rS°	30.6	cal/mol*K	PHPMS	Hiraoka, Grimsrud, et al., 1974	gas phase; n; M

(C₂H₇O⁺  ) +  = (C₂H₇O⁺    )

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
rH°	20.2	kcal/mol	PHPMS	Hiraoka, Grimsrud, et al., 1974	gas phase; n; M
Quantity	Value	Units	Method	Reference	Comment
rS°	29.8	cal/mol*K	PHPMS	Hiraoka, Grimsrud, et al., 1974	gas phase; n; M

(C₂H₇O⁺  ) +  = (C₂H₇O⁺  2)

By formula: (C₂H₇O⁺  C₂H₆O) + C₂H₆O = (C₂H₇O⁺  2C₂H₆O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity	Value	Units	Method	Reference	Comment
rH°	10.1	kcal/mol	PHPMS	Grimsrud and Kebarle, 1973	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
rS°	27.9	cal/mol*K	PHPMS	Grimsrud and Kebarle, 1973	gas phase; M

CH₆N⁺ +  = (CH₆N⁺  )

By formula: CH₆N⁺ + C₂H₆O = (CH₆N⁺  C₂H₆O)

Bond type: Hydrogen bonds of the type NH+-O between organics

Quantity	Value	Units	Method	Reference	Comment
rH°	21.5	kcal/mol	PHPMS	Meot-Ner, 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
rS°	29.3	cal/mol*K	PHPMS	Meot-Ner, 1984	gas phase; M

(  2) +  = (  3)

By formula: (Li⁺  2C₂H₆O) + C₂H₆O = (Li⁺  3C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
rH°	21.3 ± 1.9	kcal/mol	CIDT	Rodgers and Armentrout, 2000	RCD

Enthalpy of reaction

rH° (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

(  3) +  = (  4)

By formula: (Li⁺  3C₂H₆O) + C₂H₆O = (Li⁺  4C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
rH°	16.3 ± 2.4	kcal/mol	CIDT	Rodgers and Armentrout, 2000	RCD

Enthalpy of reaction

rH° (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

(  ) +  = (  2)

By formula: (Li⁺  C₂H₆O) + C₂H₆O = (Li⁺  2C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
rH°	28.9 ± 1.4	kcal/mol	CIDT	Rodgers and Armentrout, 2000	RCD

Enthalpy of reaction

rH° (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
rH°	7.50 ± 0.40	kcal/mol	TDAs	Bogdanov, Lee, et al., 2001	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
rG°	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
rH°	407.0 ± 2.0	kcal/mol	Bran	DePuy, Bierbaum, et al., 1984	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
rG°	398.2 ± 2.2	kcal/mol	H-TS	DePuy, Bierbaum, et al., 1984	gas phase; B

(  2) +  = (  3)

By formula: (Na⁺  2C₂H₆O) + C₂H₆O = (Na⁺  3C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
rH°	16.7 ± 1.2	kcal/mol	CIDT	Rodgers and Armentrout, 2000	RCD
rH°	16.0 ± 1.2	kcal/mol	CIDT	More, Ray, et al., 1997	RCD

(  3) +  = (  4)

By formula: (Na⁺  3C₂H₆O) + C₂H₆O = (Na⁺  4C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
rH°	14.6 ± 1.0	kcal/mol	CIDT	Rodgers and Armentrout, 2000	RCD
rH°	13.9 ± 1.0	kcal/mol	CIDT	More, Ray, et al., 1997	RCD

(  2) +  = (  3)

By formula: (K⁺  2C₂H₆O) + C₂H₆O = (K⁺  3C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
rH°	13.6 ± 1.0	kcal/mol	CIDT	Rodgers and Armentrout, 2000	RCD

(  3) +  = (  4)

By formula: (K⁺  3C₂H₆O) + C₂H₆O = (K⁺  4C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
rH°	12.0 ± 1.9	kcal/mol	CIDT	Rodgers and Armentrout, 2000	RCD

(  2) +  = (  3)

By formula: (Cs⁺  2C₂H₆O) + C₂H₆O = (Cs⁺  3C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
rH°	9.6 ± 2.2	kcal/mol	CIDT	Rodgers and Armentrout, 2000	RCD

(  ) +  = (  2)

By formula: (Cs⁺  C₂H₆O) + C₂H₆O = (Cs⁺  2C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
rH°	11.2 ± 1.4	kcal/mol	CIDT	Rodgers and Armentrout, 2000	RCD

(  2) +  = (  3)

By formula: (Rb⁺  2C₂H₆O) + C₂H₆O = (Rb⁺  3C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
rH°	8.8 ± 2.6	kcal/mol	CIDT	Rodgers and Armentrout, 2000	RCD

(  ) +  = (  2)

By formula: (Rb⁺  C₂H₆O) + C₂H₆O = (Rb⁺  2C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
rH°	13.1 ± 1.2	kcal/mol	CIDT	Rodgers and Armentrout, 2000	RCD

(  ) +  = (  2)

By formula: (K⁺  C₂H₆O) + C₂H₆O = (K⁺  2C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
rH°	16.5 ± 1.2	kcal/mol	CIDT	Rodgers and Armentrout, 2000	RCD

(  2) +  = (  3)

By formula: (Cu⁺  2C₂H₆O) + C₂H₆O = (Cu⁺  3C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
rH°	13.1 ± 1.0	kcal/mol	CIDT	Koizumi, 2001	RCD

(  3) +  = (  4)

By formula: (Cu⁺  3C₂H₆O) + C₂H₆O = (Cu⁺  4C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
rH°	10.8 ± 2.4	kcal/mol	CIDT	Koizumi, 2001	RCD

(  ) +  = (  2)

By formula: (Cu⁺  C₂H₆O) + C₂H₆O = (Cu⁺  2C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
rH°	46.1 ± 1.9	kcal/mol	CIDT	Koizumi, 2001	RCD

 +  = (  )

By formula: Cs⁺ + C₂H₆O = (Cs⁺  C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
rH°	13.6 ± 1.2	kcal/mol	CIDT	Rodgers and Armentrout, 2000	RCD

 +  = (  )

By formula: Rb⁺ + C₂H₆O = (Rb⁺  C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
rH°	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

• gas

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

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

Source: Shimanouchi, 1972

Notes

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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Tholman, D.; Tonner, D.S.; McMahon, T.B., Spontaneous Unimolecular Dissociation of Small Cluster Ions, (H3O)+(L)n and Cl-(H2O)n (n = 2-4), under Fourier Transform Ion Cyclotron Resonance Conditions, J. Phys. Chem., 1994, 98, 8, 2002, https://doi.org/10.1021/j100059a002 . [all data]

Meot-Ner, 1984
Meot-Ner, (Mautner)M., The Ionic Hydrogen Bond and Ion Solvation. 1. -NH+ O-, -NH+ N- and -OH+ O- Bonds. Correlations with Proton Affinity. Deviations Due to Structural Effects, J. Am. Chem. Soc., 1984, 106, 5, 1257, https://doi.org/10.1021/ja00317a015 . [all data]

Bogdanov, Lee, et al., 2001
Bogdanov, B.; Lee, H.J.S.; McMahon, T.B., Influence of fluorine substitution on the structures and thermochemistry of chloride ion-ether complexes in the gas phase, Int. J. Mass Spectrom., 2001, 210, 387-402, https://doi.org/10.1016/S1387-3806(01)00404-3 . [all data]

DePuy, Bierbaum, et al., 1984
DePuy, C.H.; Bierbaum, V.M.; Damrauer, R., Relative Gas-Phase Acidities of the Alkanes, J. Am. Chem. Soc., 1984, 106, 4051. [all data]

Koizumi, 2001
Koizumi, H., Collision-Induced Dissociation and Theoretical Studies of Cu+-Dimethyl Ether Complexes, J.Phys. Chem. A, 2001, 105, 11, 2444, https://doi.org/10.1021/jp003509p . [all data]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]

Notes

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, References

• 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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