Ethane, 1,2-dimethoxy-
- Formula: C4H10O2
- Molecular weight: 90.1210
- IUPAC Standard InChIKey: XTHFKEDIFFGKHM-UHFFFAOYSA-N
- CAS Registry Number: 110-71-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: α,β-Dimethoxyethane; Dimethoxyethane; Dimethyl cellosolve; Ethylene dimethyl ether; Ethylene glycol dimethyl ether; Glycol dimethyl ether; Glyme; Monoethylene glycol dimethyl ether; Monoglyme; 1,2-Dimethoxyethane; 1,2-Ethanediol dimethyl ether; 2,5-Dioxahexane; CH3OCH2CH2OCH3; Egdme; UN 2252; Ansul ether 121; DME; DME (glycol ether); Hisolve MMM; NSC 60542
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -81.9 ± 0.2 | kcal/mol | Ccr | Steele, Chirico, et al., 1996 | |
ΔfH°gas | -93.1 ± 0.5 | kcal/mol | Eqk | Wiberg, Morgan, et al., 1994 | |
ΔfH°gas | -81.37 ± 0.15 | kcal/mol | Ccr | Loucks and Laidler, 1967 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas Chromatography, 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
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -90.72 ± 0.15 | kcal/mol | Ccr | Steele, Chirico, et al., 1996 | ALS |
ΔfH°liquid | -100.4 ± 0.4 | kcal/mol | Eqk | Wiberg, Morgan, et al., 1994 | ALS |
ΔfH°liquid | -90.02 ± 0.05 | kcal/mol | Ccr | Loucks and Laidler, 1967 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -627.06 ± 0.37 | kcal/mol | Ccr | Steele, Chirico, et al., 1996 | Corresponding ΔfHºliquid = -90.717 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
45.684 | 298.15 | Trejo, Costas, et al., 1991 | DH |
46.20 | 298.15 | Kusano, Suurkuusk, et al., 1973 | DH |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas Chromatography, 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 358. ± 1. | K | AVG | N/A | Average of 11 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 203.94 | K | N/A | Guanquan, Ott, et al., 1986 | Uncertainty assigned by TRC = 0.1 K; TRC |
Tfus | 204.15 | K | N/A | Anonymous, 1982 | TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 537. | K | N/A | Steele, Chirico, et al., 1996 | Uncertainty assigned by TRC = 2. K; TRC |
Tc | 539.2 | K | N/A | Quadri and Kudchadker, 1991 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tc | 536. | K | N/A | Kobe, Ravicz, et al., 1956 | Uncertainty assigned by TRC = 2. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 39.08 | atm | N/A | Steele, Chirico, et al., 1996 | Uncertainty assigned by TRC = 2.47 atm; from extraploation of obs. vapor pressures to Tc; TRC |
Pc | 38.10 | atm | N/A | Quadri and Kudchadker, 1991 | Uncertainty assigned by TRC = 0.20 atm; TRC |
Pc | 38.19 | atm | N/A | Kobe, Ravicz, et al., 1956 | Uncertainty assigned by TRC = 0.2721 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.271 | l/mol | N/A | Kobe, Ravicz, et al., 1956 | Uncertainty assigned by TRC = 0.005 l/mol; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 3.25 | mol/l | N/A | Steele, Chirico, et al., 1996 | Uncertainty assigned by TRC = 0.13 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 9. ± 1. | kcal/mol | AVG | N/A | Average of 8 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
7.749 | 358. | N/A | Majer and Svoboda, 1985 | |
8.25 | 304. to 358. | EB | Li, Fang, et al., 2009 | AC |
9.42 | 253. | A | Stephenson and Malanowski, 1987 | Based on data from 238. to 298. K.; AC |
9.35 | 253. | A | Stephenson and Malanowski, 1987 | Based on data from 238. to 363. K.; AC |
8.10 | 240. | N/A | Stull, 1947 | Based on data from 225. to 366. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
225. to 366. | 3.83204 | 1260.52 | -37.322 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas Chromatography, 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
RCD - Robert C. Dunbar
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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.
Individual Reactions
(C4H11O2+ • 2 • 2
) +
= (C4H11O2+ • 3
• 2
)
By formula: (C4H11O2+ • 2H2O • 2C4H10O2) + H2O = (C4H11O2+ • 3H2O • 2C4H10O2)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.2 | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.0 | cal/mol*K | N/A | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.5 | 225. | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
(C4H11O2+ • 3 •
) +
= (C4H11O2+ • 4
•
)
By formula: (C4H11O2+ • 3H2O • C4H10O2) + H2O = (C4H11O2+ • 4H2O • C4H10O2)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.5 | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.0 | cal/mol*K | N/A | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.9 | 225. | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
(C4H11O2+ • 2) +
= (C4H11O2+ • 3
)
By formula: (C4H11O2+ • 2C4H10O2) + C4H10O2 = (C4H11O2+ • 3C4H10O2)
Bond type: Hydrogen bonds between protonated and neutral organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.2 | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.0 | cal/mol*K | N/A | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.0 | 208. | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
By formula: Na+ + C4H10O2 = (Na+ • C4H10O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 37.8 ± 1.0 | kcal/mol | CIDT | Armentrout and Rodgers, 2000 | glyme; RCD |
ΔrH° | 57.6 ± 4.3 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
ΔrH° | 38.5 ± 1.0 | kcal/mol | CIDT | More, Ray, et al., 1997 | RCD |
ΔrH° | 47.2 | kcal/mol | HPMS | Castleman, Peterson, et al., 1983 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 34.6 | cal/mol*K | HPMS | Castleman, Peterson, et al., 1983 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
31.8 | 298. | IMRE | McMahon and Ohanessian, 2000 | Anchor alanine=39.89; RCD |
By formula: K+ + C4H10O2 = (K+ • C4H10O2)
Bond type: Polydentate bonding in non-hydrogen-bonded positive ions
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 28.4 ± 1.0 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
ΔrH° | 30.8 | kcal/mol | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.8 | cal/mol*K | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
By formula: (Na+ • C4H10O2) + C4H10O2 = (Na+ • 2C4H10O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 27.7 ± 1.9 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
ΔrH° | 27.2 ± 2.0 | kcal/mol | CIDT | More, Ray, et al., 1997 | RCD |
ΔrH° | 35.1 | kcal/mol | HPMS | Castleman, Peterson, et al., 1983 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 40.5 | cal/mol*K | HPMS | Castleman, Peterson, et al., 1983 | gas phase; M |
(C4H11O2+ • • 2
) +
= (C4H11O2+ • 2
• 2
)
By formula: (C4H11O2+ • C4H10O2 • 2H2O) + C4H10O2 = (C4H11O2+ • 2C4H10O2 • 2H2O)
Bond type: Hydrogen bonds between protonated and neutral organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.8 | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.5 | cal/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
(C4H11O2+ • 2 •
) +
= (C4H11O2+ • 3
•
)
By formula: (C4H11O2+ • 2H2O • C4H10O2) + H2O = (C4H11O2+ • 3H2O • C4H10O2)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.2 | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
(C4H11O2+ • • 2
) +
= (C4H11O2+ • 2
• 2
)
By formula: (C4H11O2+ • H2O • 2C4H10O2) + H2O = (C4H11O2+ • 2H2O • 2C4H10O2)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.8 | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.4 | cal/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
(C4H11O2+ • •
) +
= (C4H11O2+ • 2
•
)
By formula: (C4H11O2+ • H2O • C4H10O2) + H2O = (C4H11O2+ • 2H2O • C4H10O2)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.4 | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.9 | cal/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
By formula: C5H6N+ + C4H10O2 = (C5H6N+ • C4H10O2)
Bond type: Hydrogen bonds with polydentate bonding in positive ions
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 25.4 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1983 | gas phase; glyme; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 31.4 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1983 | gas phase; glyme; M |
By formula: (H4N+ • C4H10O2) + H3N = (H4N+ • H3N • C4H10O2)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.0 | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.4 | cal/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1996 | gas phase; M |
(C4H11O2+ • ) +
= (C4H11O2+ •
•
)
By formula: (C4H11O2+ • C4H10O2) + H2O = (C4H11O2+ • H2O • C4H10O2)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.7 | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.4 | cal/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
By formula: C4H11O2+ + C4H10O2 = (C4H11O2+ • C4H10O2)
Bond type: Hydrogen bonds between protonated and neutral organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 27.4 | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 30.9 | cal/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
By formula: H4N+ + C4H10O2 = (H4N+ • C4H10O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 38. ± 3. | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1996 | gas phase; possible ether decomposition; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 36. | cal/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1996 | gas phase; possible ether decomposition; M |
By formula: C3H10N+ + C4H10O2 = (C3H10N+ • C4H10O2)
Bond type: Hydrogen bonds with polydentate bonding in positive ions
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 26.7 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1983 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 34.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1983 | gas phase; M |
By formula: C6H14N+ + C4H10O2 = (C6H14N+ • C4H10O2)
Bond type: Hydrogen bonds with polydentate bonding in positive ions
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 29.4 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1983 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 35.5 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1983 | gas phase; M |
By formula: CH6N+ + C4H10O2 = (CH6N+ • C4H10O2)
Bond type: Hydrogen bonds with polydentate bonding in positive ions
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 30.1 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1983 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 30.1 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1983 | gas phase; M |
By formula: (H4N+ • 2C4H10O2) + C4H10O2 = (H4N+ • 3C4H10O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14. ± 3. | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.3 | cal/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1996 | gas phase; M |
By formula: (H4N+ • C4H10O2) + C4H10O2 = (H4N+ • 2C4H10O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 23.2 | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 33.5 | cal/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1996 | gas phase; M |
By formula: (Na+ • 2C4H10O2) + C4H10O2 = (Na+ • 3C4H10O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 23.2 | kcal/mol | HPMS | Castleman, Peterson, et al., 1983 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 42.2 | cal/mol*K | HPMS | Castleman, Peterson, et al., 1983 | gas phase; M |
By formula: C4H10O2 + H2O = 2CH4O + C2H4O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.6 ± 0.2 | kcal/mol | Eqk | Wiberg, Morgan, et al., 1994 | liquid phase; ALS |
By formula: 2CH4O + C2H4O = C4H10O2 + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -14.8 ± 0.3 | kcal/mol | Cm | Wiberg, Morgan, et al., 1994 | gas phase; ALS |
By formula: (Li+ • C4H10O2) + C4H10O2 = (Li+ • 2C4H10O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 33.2 ± 2.9 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: (Cs+ • C4H10O2) + C4H10O2 = (Cs+ • 2C4H10O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.9 ± 1.7 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: (Rb+ • C4H10O2) + C4H10O2 = (Rb+ • 2C4H10O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.7 ± 2.9 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: (K+ • C4H10O2) + C4H10O2 = (K+ • 2C4H10O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.3 ± 2.9 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: (Cu+ • C4H10O2) + C4H10O2 = (Cu+ • 2C4H10O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 43.0 ± 1.4 | kcal/mol | CIDT | Koizumi, 2001 | RCD |
By formula: Li+ + C4H10O2 = (Li+ • C4H10O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 37.8 ± 1.0 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: Cs+ + C4H10O2 = (Cs+ • C4H10O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.6 ± 1.2 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: Rb+ + C4H10O2 = (Rb+ • C4H10O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 22.5 ± 2.2 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: Cu+ + C4H10O2 = (Cu+ • C4H10O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 63.1 ± 1.9 | kcal/mol | CIDT | Koizumi, 2001 | RCD |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | SE-30 | 120. | 646. | García-Raso, Martínez-Castro, et al., 1987 | N2, Supelcoport; Column length: 3. m |
Packed | SE-30 | 150. | 635. | Tiess, 1984 | Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m |
Packed | Apiezon L | 120. | 607. | Bogoslovsky, Anvaer, et al., 1978 | Celite 545 |
Packed | Apiezon L | 160. | 608. | Bogoslovsky, Anvaer, et al., 1978 | Celite 545 |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Carbowax 20M | 120. | 918. | García-Raso, Martínez-Castro, et al., 1987 | N2, Supelcoport; Column length: 25. m; Column diameter: 0.22 mm |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Ultra-ALLOY-5 | 645. | Tsuge, Ohtan, et al., 2011 | 30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 20. K/min, 320. C @ 13. min |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Squalane | 646. | Chen, 2008 | Program: not specified |
Capillary | Polydimethyl siloxanes | 641. | Zenkevich, 1997 | Program: not specified |
Capillary | Methyl Silicone | 641. | Zenkevich, 1995 | Program: not specified |
Packed | Apiezon L | 609.5 | Keiko, Prokop'ev, et al., 1972 | Program: not specified |
Packed | Squalane | 614.5 | Keiko, Prokop'ev, et al., 1972 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 935. | Shimadzu, 2012 | 30. m/0.32 mm/0.50 μm, Helium, 4. K/min; Tstart: 40. C; Tend: 260. C |
Capillary | DB-Wax | 935. | Shimadzu Corporation, 2003 | 30. m/0.32 mm/0.5 μm, He, 4. K/min; Tstart: 40. C; Tend: 260. C |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas Chromatography, 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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Shimadzu Corporation,
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Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas Chromatography, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Pc Critical pressure T Temperature Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Vc Critical volume ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions 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 ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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