Ethyl ether

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Gas phase thermochemistry data

Go To: Top, Phase change data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, 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
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Δfgas-252.7 ± 2.0kJ/molCcbPihlaja and Heikkil, 1968Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -250.3 ± 1.8 kJ/mol; ALS
Δfgas-252.2 ± 0.79kJ/molCmPilcher, Skinner, et al., 1963ALS
Δfgas-244.kJ/molCcbMurrin and Goldhagen, 1957ALS
Quantity Value Units Method Reference Comment
Δcgas-2726.3 ± 1.8kJ/molCcbPihlaja and Heikkil, 1968Corresponding Δfgas = -276.9 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcgas-2751.1 ± 0.75kJ/molCmPilcher, Skinner, et al., 1963Corresponding Δfgas = -252.1 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
gas342.2J/mol*KN/ACounsell J.F., 1971Other third-law entropy values at 298.15 K are 342.46 [ Cope C.S., 1959], 342.33 [ Stull D.R., 1969], and 342.60 J/mol*K [ Chao J., 1986].; GT

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
62.50100.Chao J., 1986p=1 bar.; GT
84.80150.
99.70200.
114.30273.15
119.46 ± 0.15298.15
119.86300.
142.81400.
165.77500.
186.35600.
204.35700.
220.04800.
233.74900.
245.681000.
256.081100.
265.121200.
272.971300.
279.811400.
285.761500.

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
121.94309.98Counsell J.F., 1971Other experimental values of heat capacity [ Jennings W.H., 1934, Jatkar S.K.K., 1939, Valentin F.H.H., 1950] are believed to be less reliable (see [ Chao J., 1986]).; GT
126.57329.99
131.32350.00
137.21375.00
143.27400.01
149.10424.99
155.11450.04

Phase change data

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil307.7 ± 0.4KAVGN/AAverage of 20 out of 21 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus154. ± 7.KAVGN/AAverage of 13 out of 14 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple156.92KN/AWilhoit, Chao, et al., 1985Uncertainty assigned by TRC = 0.05 K; TRC
Ttriple149.86KN/ACounsell, Lee, et al., 1971Crystal phase 2 phase; Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple156.92KN/ACounsell, Lee, et al., 1971Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple156.8KN/AParks and Huffman, 1926Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Tc467. ± 2.KAVGN/AAverage of 29 out of 30 values; Individual data points
Quantity Value Units Method Reference Comment
Pc36. ± 1.barAVGN/AAverage of 16 out of 17 values; Individual data points
Quantity Value Units Method Reference Comment
Vc0.274l/molN/AKobe, Ravicz, et al., 1956Uncertainty assigned by TRC = 0.005 l/mol; TRC
Quantity Value Units Method Reference Comment
ρc3.5 ± 0.4mol/lAVGN/AAverage of 10 values; Individual data points
Quantity Value Units Method Reference Comment
Δvap27.1 ± 0.5kJ/molAVGN/AAverage of 6 values; Individual data points

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
26.52307.6N/AMajer and Svoboda, 1985 
27.530285.0N/AKeyes and Beattie, 1924P = 101.325 kPa; DH
28.1301.AStephenson and Malanowski, 1987Based on data from 286. to 329. K.; AC
26.9322.AStephenson and Malanowski, 1987Based on data from 307. to 457. K.; AC
27.5320.AStephenson and Malanowski, 1987Based on data from 305. to 360. K.; AC
26.7432.AStephenson and Malanowski, 1987Based on data from 417. to 467. K.; AC
29.5265.AStephenson and Malanowski, 1987Based on data from 250. to 329. K. See also Ambrose, Sprake, et al., 1972 and Ambrose, Ellender, et al., 1976.; AC
27.247 ± 0.005295.63VCounsell, Lee, et al., 1971, 2ALS
28.4278.N/ATaylor and Smith, 1922Based on data from 213. to 293. K.; AC

Enthalpy of vaporization

ΔvapH = A exp(-βTr) (1 − Tr)β
    ΔvapH = Enthalpy of vaporization (at saturation pressure) (kJ/mol)
    Tr = reduced temperature (T / Tc)

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Temperature (K) A (kJ/mol) β Tc (K) Reference Comment
281. to 313.43.010.2786466.7Majer and Svoboda, 1985 

Entropy of vaporization

ΔvapS (J/mol*K) Temperature (K) Reference Comment
96.60285.0Keyes and Beattie, 1924P; DH

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
250.04 to 328.574.02201062.64-44.93Ambrose, Sprake, et al., 1972Coefficents calculated by NIST from author's data.
350.14 to 466.734.469881354.913-5.537Ambrose, Sprake, et al., 1972Coefficents calculated by NIST from author's data.
212.4 to 293.024.133771102.878-40.46Taylor and Smith, 1922Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
7.19156.9Counsell, Lee, et al., 1971, 2AC
7.301156.8Parks and Huffman, 1926, 2DH

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
46.6156.8Parks and Huffman, 1926, 2DH

Enthalpy of phase transition

ΔHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
6.820149.86crystaline, IIliquidCounsell, Lee, et al., 1971, 3DH
7.190156.92crystaline, IliquidCounsell, Lee, et al., 1971, 3Metastable crystal.; DH

Entropy of phase transition

ΔStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
45.5149.86crystaline, IIliquidCounsell, Lee, et al., 1971, 3DH
45.82156.92crystaline, IliquidCounsell, Lee, et al., 1971, 3Metastable; DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Phase change data, Ion clustering data, IR Spectrum, 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
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

Quantity Value Units Method Reference Comment
IE (evaluated)9.51 ± 0.03eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)828.4kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity801.kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
9.52 ± 0.07EIBowen and Maccoll, 1984LBLHLM
9.60 ± 0.01PIBotter, Pechine, et al., 1977LLK
9.41PEBehan, Dean, et al., 1976LLK
9.50 ± 0.01PECocksey, Eland, et al., 1971LLK
9.51PEDewar and Worley, 1969RDSH
9.53 ± 0.02PIWatanabe, 1957RDSH
9.61PEOhno, Imai, et al., 1985Vertical value; LBLHLM
9.66PEAue and Bowers, 1979Vertical value; LLK
9.59PEBenoit and Harrison, 1977Vertical value; LLK
9.701PEAue, Webb, et al., 1975Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CH3O+12.28 ± 0.05C2H4+CH3EISelim and Helal, 1981LLK
CH3O+11.92?EIHolmes, Rye, et al., 1979LLK
CH3O+12.1?EIHarrison, Ivko, et al., 1966RDSH
C2H5+12.0 ± 0.1?EIWilliams and Hamill, 1968RDSH
C2H5O+11.85C2H5EILossing, 1977LLK
C2H5O+11.83C2H5EIPhillips, Russell, et al., 1975LLK
C2H5O+11.8C2H5EIHarrison, Ivko, et al., 1966RDSH
C3H5+11.6?EITsang and Harrison, 1970RDSH
C3H7O+10.26 ± 0.08CH3EIBowen and Maccoll, 1984LBLHLM
C3H7O+10.26CH3EILossing, 1977LLK
C3H7O+10.3CH3EIHarrison, Ivko, et al., 1966RDSH

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, 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
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

CH6N+ + Ethyl ether = (CH6N+ • Ethyl ether)

By formula: CH6N+ + C4H10O = (CH6N+ • C4H10O)

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

Quantity Value Units Method Reference Comment
Δr92.0kJ/molPHPMSMeot-Ner, 1984gas phase; M
Δr92.0kJ/molPHPMSMeot-Ner (Mautner), 1983gas phase; M
Quantity Value Units Method Reference Comment
Δr105.J/mol*KPHPMSMeot-Ner, 1984gas phase; M
Δr105.J/mol*KPHPMSMeot-Ner (Mautner), 1983gas phase; M

C3H9Si+ + Ethyl ether = (C3H9Si+ • Ethyl ether)

By formula: C3H9Si+ + C4H10O = (C3H9Si+ • C4H10O)

Quantity Value Units Method Reference Comment
Δr185.kJ/molPHPMSWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr125.J/mol*KN/AWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
127.468.PHPMSWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M

C4H11O+ + Ethyl ether = (C4H11O+ • Ethyl ether)

By formula: C4H11O+ + C4H10O = (C4H11O+ • C4H10O)

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

Quantity Value Units Method Reference Comment
Δr131.kJ/molPHPMSSzulejko and McMahon, 1991gas phase; M
Δr127.kJ/molICRLarson and McMahon, 1982gas 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
Δr160.J/mol*KPHPMSSzulejko and McMahon, 1991gas phase; M
Δr129.J/mol*KN/ALarson and McMahon, 1982gas 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
Δr88.3kJ/molICRLarson and McMahon, 1982gas 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

C5H6N+ + Ethyl ether = (C5H6N+ • Ethyl ether)

By formula: C5H6N+ + C4H10O = (C5H6N+ • C4H10O)

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

Quantity Value Units Method Reference Comment
Δr94.1kJ/molPHPMSMeot-Ner (Mautner), 1983gas phase; M
Quantity Value Units Method Reference Comment
Δr138.J/mol*KPHPMSMeot-Ner (Mautner), 1983gas phase; M

C5H11O+ + Ethyl ether = (C5H11O+ • Ethyl ether)

By formula: C5H11O+ + C4H10O = (C5H11O+ • C4H10O)

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

Quantity Value Units Method Reference Comment
Δr123.kJ/molICRLarson and McMahon, 1982gas 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
Δr123.J/mol*KN/ALarson and McMahon, 1982gas 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
Δr86.6kJ/molICRLarson and McMahon, 1982gas 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

C6H14N+ + Ethyl ether = (C6H14N+ • Ethyl ether)

By formula: C6H14N+ + C4H10O = (C6H14N+ • C4H10O)

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

Quantity Value Units Method Reference Comment
Δr92.0kJ/molPHPMSMeot-Ner, 1984gas phase; M
Δr91.6kJ/molPHPMSMeot-Ner (Mautner), 1983gas phase; M
Quantity Value Units Method Reference Comment
Δr133.J/mol*KPHPMSMeot-Ner, 1984gas phase; M
Δr133.J/mol*KPHPMSMeot-Ner (Mautner), 1983gas phase; M

C6H15O+ + Ethyl ether = (C6H15O+ • Ethyl ether)

By formula: C6H15O+ + C4H10O = (C6H15O+ • C4H10O)

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

Quantity Value Units Method Reference Comment
Δr123.kJ/molICRLarson and McMahon, 1982gas 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
Δr126.J/mol*KN/ALarson and McMahon, 1982gas 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
Δr85.4kJ/molICRLarson and McMahon, 1982gas 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

C6H15O+ + Ethyl ether = (C6H15O+ • Ethyl ether)

By formula: C6H15O+ + C4H10O = (C6H15O+ • C4H10O)

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

Quantity Value Units Method Reference Comment
Δr109.kJ/molICRLarson and McMahon, 1982gas 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
Δr129.J/mol*KN/ALarson and McMahon, 1982gas 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
Δr70.3kJ/molICRLarson and McMahon, 1982gas 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

Chlorine anion + Ethyl ether = C4H10ClO-

By formula: Cl- + C4H10O = C4H10ClO-

Quantity Value Units Method Reference Comment
Δr37.7 ± 1.7kJ/molTDAsBogdanov, Lee, et al., 2001gas phase; B
Quantity Value Units Method Reference Comment
Δr14. ± 4.2kJ/molTDAsBogdanov, Lee, et al., 2001gas phase; B

Potassium ion (1+) + Ethyl ether = (Potassium ion (1+) • Ethyl ether)

By formula: K+ + C4H10O = (K+ • C4H10O)

Quantity Value Units Method Reference Comment
Δr93.3kJ/molHPMSDavidson and Kebarle, 1976gas phase; M
Quantity Value Units Method Reference Comment
Δr103.J/mol*KHPMSDavidson and Kebarle, 1976gas phase; M

Magnesium ion (1+) + Ethyl ether = (Magnesium ion (1+) • Ethyl ether)

By formula: Mg+ + C4H10O = (Mg+ • C4H10O)

Quantity Value Units Method Reference Comment
Δr280. ± 20.kJ/molICROperti, Tews, et al., 1988gas phase; switching reaction,Thermochemical ladder(Mg+)CH3OH; M

Nitric oxide anion + Ethyl ether = (Nitric oxide anion • Ethyl ether)

By formula: NO- + C4H10O = (NO- • C4H10O)

Quantity Value Units Method Reference Comment
Δr173.kJ/molICRReents and Freiser, 1981gas phase; switching reaction,Thermochemical ladder(NO+)C2H5OH, Entropy change calculated or estimated; Farid and McMahon, 1978; M

Sodium ion (1+) + Ethyl ether = (Sodium ion (1+) • Ethyl ether)

By formula: Na+ + C4H10O = (Na+ • C4H10O)

Quantity Value Units Method Reference Comment
Δr130. ± 1.kJ/molHPMSGuo, Conklin, et al., 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr118.J/mol*KHPMSGuo, Conklin, et al., 1989gas phase; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
89.1298.IMREMcMahon and Ohanessian, 2000Anchor alanine=39.89; RCD

(Sodium ion (1+) • Ethyl ether) + Ethyl ether = (Sodium ion (1+) • 2Ethyl ether)

By formula: (Na+ • C4H10O) + C4H10O = (Na+ • 2C4H10O)

Quantity Value Units Method Reference Comment
Δr96. ± 1.kJ/molHPMSGuo, Conklin, et al., 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr117.J/mol*KHPMSGuo, Conklin, et al., 1989gas phase; M

(Sodium ion (1+) • 2Ethyl ether) + Ethyl ether = (Sodium ion (1+) • 3Ethyl ether)

By formula: (Na+ • 2C4H10O) + C4H10O = (Na+ • 3C4H10O)

Quantity Value Units Method Reference Comment
Δr69. ± 1.kJ/molHPMSGuo, Conklin, et al., 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr123.J/mol*KHPMSGuo, Conklin, et al., 1989gas phase; M

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering data, Gas Chromatography, References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: Tanya L. Myers, Russell G. Tonkyn, Ashley M. Oeck, Tyler O. Danby, John S. Loring, Matthew S. Taubman, Stephen W. Sharpe, Jerome C. Birnbaum, and Timothy J. Johnson


Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Phase change 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

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedOV-1130.495.Gurevich and Roshchina, 2003He or N2, Gas-Chrom Q
PackedSE-30100.496.Winskowski, 1983Gaschrom Q; Column length: 2. m
PackedSqualane50.478.Becerra, Sánchez, et al., 1982N2, Chromosorb W-AM; Column length: 6. m
PackedPorapack Q200.486.Goebel, 1982N2
PackedApiezon L120.473.Bogoslovsky, Anvaer, et al., 1978Celite 545
PackedApiezon L160.471.Bogoslovsky, Anvaer, et al., 1978Celite 545
PackedApiezon L70.476.Bogoslovsky, Anvaer, et al., 1978 
PackedApolane70.482.6Riedo, Fritz, et al., 1976He, Chromosorb; Column length: 2.4 m
PackedApiezon M130.476.Golovnya and Garbuzov, 1974N2, Chromosorb W; Column length: 2.1 m
PackedSqualane50.474.Vernon, 1971N2
PackedSilicon High Vacuum Grease (obsolete)90.480.Jonas, Janák, et al., 1966H2
PackedApiezon L130.484.Wehrli and Kováts, 1959Celite; Column length: 2.25 m
PackedApiezon L70.476.Wehrli and Kováts, 1959Celite; Column length: 2.25 m

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedCarbowax 20M75.630.Goebel, 1982N2, Kieselgur (60-100 mesh); Column length: 2. m
PackedPEG-2000120.577.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000150.570.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000152.577.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000179.570.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000180.567.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000200.567.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m

Kovats' RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryCBP-20576.Shimadzu, 200325. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 200. C

Van Den Dool and Kratz RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryCarbowax 20M596.Chen, Kuo, et al., 1982He, 50. C @ 10. min, 1. K/min; Tend: 160. C

Normal alkane RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryDB-160.500.Shimadzu, 2003, 260. m/0.32 mm/1. μm, He
PackedSynachrom150.493.Dufka, Malinsky, et al., 1971Helium, Synachrom (60-80 mesh); Column length: 1.5 m
PackedSynachrom150.494.Dufka, Malinsky, et al., 1971Helium, Synachrom (60-80 mesh); Column length: 1.5 m
PackedSqualane100.464.Vernon, 1971N2

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-5 MS510.Kotowska, Zalikowski, et al., 201230. m/0.25 mm/0.25 μm, Helium, 35. C @ 5. min, 3. K/min, 300. C @ 15. min
CapillaryOV-101485.Zenkevich, Eliseenkov, et al., 201125. m/0.20 mm/0.25 μm, Nitrogen, 6. K/min; Tstart: 40. C; Tend: 220. C
CapillaryDB-5485.Savel'eva, Zenkevich, et al., 200325. m/0.20 mm/0.33 μm, Helium, 40. C @ 1. min, 5. K/min, 270. C @ 15. min
CapillaryDB-1504.Habu, Flath, et al., 19853. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 0. C; Tend: 250. C

Normal alkane RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryHP-5 MS509.Kotowska, Zalikowski, et al., 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryHP-5508.Rotsatschakul, Visesanguan, et al., 200960. m/0.25 mm/0.25 μm, Helium; Program: 30 0C (2 min) 2 0Cmin -> 60 0C 10 0C/min -> 100 0C 20 0C/min -> 140 0C 10 0C/min -> 200 0C (10 min)
CapillaryHP-5504.Garcia-Estaban, Ansorena, et al., 200450. m/0.32 mm/1.05 μm; Program: 40C(10min) => 5C/min => 200C => 20C/min => 250C(5min)
CapillaryDB-5504.Garcia-Estaban, Ansorena, et al., 2004, 250. m/0.32 mm/1.05 μm; Program: 40C(10min) => 5C/min => 200C => 20C/min => 250C (5min)
CapillaryMethyl Silicone484.N/AProgram: not specified
CapillarySPB-1499.Flanagan, Streete, et al., 199760. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
CapillaryPolydimethyl siloxanes485.Zenkevich, 1997Program: not specified
CapillaryPolydimethyl siloxanes485.Zenkevich, Chupalov, et al., 1996Program: not specified
CapillarySPB-1499.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C
CapillarySPB-1515.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 μm, Helium; Program: not specified
CapillaryDB-1470.Kawai, Ishida, et al., 199160. m/0.25 mm/0.25 μm; Program: not specified
CapillaryDB-1477.Kawai, Ishida, et al., 199160. m/0.25 mm/0.25 μm; Program: not specified

Normal alkane RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryCarbowax 20M100.608.Sun, Siepmann, et al., 200630. m/0.25 mm/0.25 μm, Helium
CapillaryCarbowax 20M120.606.Sun, Siepmann, et al., 200630. m/0.25 mm/0.25 μm, Helium
CapillaryCarbowax 20M60.618.Sun, Siepmann, et al., 200630. m/0.25 mm/0.25 μm, Helium
CapillaryCarbowax 20M80.619.Sun, Siepmann, et al., 200630. m/0.25 mm/0.25 μm, Helium

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryCarbowax 20M640.Labropoulos, Palmer, et al., 1982Helium, 10. K/min; Column length: 31. m; Column diameter: 0.50 mm; Tstart: 40. C; Tend: 200. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryCarbowax 20M590.Vinogradov, 2004Program: not specified
CapillaryDB-Wax616.Peng, Yang, et al., 1991Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Pihlaja and Heikkil, 1968
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Pedley, Naylor, et al., 1986
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Pilcher, Skinner, et al., 1963
Pilcher, G.; Skinner, H.A.; Pell, A.S.; Pope, A.E., Measurements of heats of combustion by flame calorimetry. Part 1.-Diethyl ether, ethyl vinyl ether and divinyl ether, Trans. Faraday Soc., 1963, 59, 316-330. [all data]

Murrin and Goldhagen, 1957
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Counsell J.F., 1971
Counsell J.F., Thermodynamic properties of organic oxygen compounds. Part XXVI. Diethyl ether, J. Chem. Soc. A, 1971, 313-316. [all data]

Cope C.S., 1959
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Stull D.R., 1969
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Chao J., 1986
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Jennings W.H., 1934
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Jatkar S.K.K., 1939
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Wilhoit, Chao, et al., 1985
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Counsell, Lee, et al., 1971
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Parks and Huffman, 1926
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Kobe, Ravicz, et al., 1956
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Majer and Svoboda, 1985
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Keyes and Beattie, 1924
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Ambrose, Sprake, et al., 1972
Ambrose, D.; Sprake, C.H.S.; Townsend, R., Thermodynamic properties of organic oxygen compounds XXIX. The vapour pressure of diethyl ether, The Journal of Chemical Thermodynamics, 1972, 4, 2, 247-254, https://doi.org/10.1016/0021-9614(72)90063-8 . [all data]

Ambrose, Ellender, et al., 1976
Ambrose, D.; Ellender, J.H.; Sprake, C.H.S.; Townsend, R., Thermodynamic properties of organic oxygen compounds XLIII. Vapour pressures of some ethers, The Journal of Chemical Thermodynamics, 1976, 8, 2, 165-178, https://doi.org/10.1016/0021-9614(76)90090-2 . [all data]

Counsell, Lee, et al., 1971, 2
Counsell, J.F.; Lee, D.A.; Martin, J.F., Thermodynamic properties of organic oxygen compounds. Part XXVI. Diethyl ether, J. Chem. Soc. A, 1971, 313. [all data]

Taylor and Smith, 1922
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Parks and Huffman, 1926, 2
Parks, G.S.; Huffman, H.M., Thermal data on organic compounds. IV. The heat capacities, entropies and free energies of normal propyl alcohol, ethyl ether and dulcitol, J. Am. Chem. Soc., 1926, 48, 2788-2793. [all data]

Counsell, Lee, et al., 1971, 3
Counsell, J.F.; Lee, D.A.; Martin, J.F., Thermodynamic properties of organic oxygen compounds. Part XXVI. Diethyl ether, 1971, J. [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Bowen and Maccoll, 1984
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Botter, Pechine, et al., 1977
Botter, R.; Pechine, J.M.; Rosenstock, H.M., Photoionization of dimethyl ether and diethyl ether, Int. J. Mass Spectrom. Ion Phys., 1977, 25, 7. [all data]

Behan, Dean, et al., 1976
Behan, J.M.; Dean, F.M.; Johnstone, R.A.W., Photoelectron spectra of cyclic aromatic ethers. The question of the Mills-Nixon effect, Tetrahedron, 1976, 32, 167. [all data]

Cocksey, Eland, et al., 1971
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Dewar and Worley, 1969
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Watanabe, 1957
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Ohno, Imai, et al., 1985
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Aue and Bowers, 1979
Aue, D.H.; Bowers, M.T., Chapter 9. Stabilities of positive ions from equilibrium gas phase basicity measurements in Ions Chemistry,, ed. M.T. Bowers, 1979. [all data]

Benoit and Harrison, 1977
Benoit, F.M.; Harrison, A.G., Predictive value of proton affinity. Ionization energy correlations involving oxygenated molecules, J. Am. Chem. Soc., 1977, 99, 3980. [all data]

Aue, Webb, et al., 1975
Aue, D.H.; Webb, H.M.; Bowers, M.T., Proton affinities, ionization potentials, and hydrogen affinities of nitrogen and oxygen bases. Hybridization effects, J. Am. Chem. Soc., 1975, 97, 4137. [all data]

Selim and Helal, 1981
Selim, E.T.M.; Helal, A.I., Heat of formation of CH2=OH+ fragment ion, Indian J. Pure Appl. Phys., 1981, 19, 977. [all data]

Holmes, Rye, et al., 1979
Holmes, J.L.; Rye, R.T.B.; Terlouw, J.K., On the loss of ethylene from [C3H7O]+ ions of structure CH3CH2CHOH, Org. Mass Spectrom., 1979, 14, 606. [all data]

Harrison, Ivko, et al., 1966
Harrison, A.G.; Ivko, A.; Van Raalte, D., Energetics of formation of some oxygenated ions and the proton affinities of carbonyl compounds, Can. J. Chem., 1966, 44, 1625. [all data]

Williams and Hamill, 1968
Williams, J.M.; Hamill, W.H., Ionization potentials of molecules and free radicals and appearance potentials by electron impact in the mass spectrometer, J. Chem. Phys., 1968, 49, 4467. [all data]

Lossing, 1977
Lossing, F.P., Heats of formation of some isomeric [CnH2n+1]+ ions. Substitutional effects on ion stability, J. Am. Chem. Soc., 1977, 99, 7526. [all data]

Phillips, Russell, et al., 1975
Phillips, G.R.; Russell, M.E.; Solka, B.H., The structure of the [C2H5O]+ ion in the mass spectrum of diethyl ether, Org. Mass Spectrom., 1975, 10, 819. [all data]

Tsang and Harrison, 1970
Tsang, C.W.; Harrison, A.G., Four-centred rearrangements in the mass spectra of aliphatic ethers, Org. Mass Spectrom., 1970, 3, 647. [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]

Meot-Ner (Mautner), 1983
Meot-Ner (Mautner), M., The Ionic Hydrogen Bond. 3. Multiple and -CH+...O- Bonds. Complexes of Ammonium Ions with Polyethers and Crown Ethers, J. Am. Chem. Soc., 1983, 105, 15, 4912, https://doi.org/10.1021/ja00353a012 . [all data]

Wojtyniak and Stone, 1986
Wojtyniak, A.C.M.; Stone, A.J., A High-Pressure Mass Spectrometric Study of the Bonding of Trimethylsilylium to Oxygen and Aromatic Bases, Can. J. Chem., 1986, 74, 59. [all data]

Szulejko and McMahon, 1991
Szulejko, J.E.; McMahon, T.B., A Pulsed Electron Beam, Variable Temperature, High Pressure Mass Spectrometric Reevaluation of the Proton Affinity Difference Between 2-Methylpropene and Ammonia, Int. J. Mass Spectrom. Ion Proc., 1991, 109, 279, https://doi.org/10.1016/0168-1176(91)85109-Y . [all data]

Larson and McMahon, 1982
Larson, J.W.; McMahon, T.B., Formation, Thermochemistry, and Relative Stabilities of Proton - Bound dimers of Oxygen n - Donor Bases from Ion Cyclotron Resonance Solvent - Exchange Equilibria Measurements, J. Am. Chem. Soc., 1982, 104, 23, 6255, https://doi.org/10.1021/ja00387a016 . [all data]

Grimsrud and Kebarle, 1973
Grimsrud, E.P.; Kebarle, P., Gas Phase Ion Equilibria Studies of the Solvation of the Hydrogen Ion by Methanol, Dimethyl Ether and Water. Effect of Hydrogen Bonding, J. Am. Chem. Soc., 1973, 95, 24, 7939, https://doi.org/10.1021/ja00805a002 . [all data]

Lias, Liebman, et al., 1984
Lias, S.G.; Liebman, J.F.; Levin, R.D., Evaluated gas phase basicities and proton affinities of molecules heats of formation of protonated molecules, J. Phys. Chem. Ref. Data, 1984, 13, 695. [all data]

Keesee and Castleman, 1986
Keesee, R.G.; Castleman, A.W., Jr., Thermochemical data on Ggs-phase ion-molecule association and clustering reactions, J. Phys. Chem. Ref. Data, 1986, 15, 1011. [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]

Davidson and Kebarle, 1976
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Operti, Tews, et al., 1988
Operti, L.; Tews, E.C.; Freiser, B.S., Determination of Gas-Phase Ligand Binding Energies to Mg+ by FTMS Techniques, J. Am. Chem. Soc., 1988, 110, 12, 3847, https://doi.org/10.1021/ja00220a020 . [all data]

Reents and Freiser, 1981
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Farid and McMahon, 1978
Farid, R.; McMahon, T.B., Gas-Phase Ion-Molecule Reactions of Alkyl Nitrites by Ion Cyclotron Resonance Spectroscopy, Int. J. Mass Spectrom. Ion Phys., 1978, 27, 2, 163, https://doi.org/10.1016/0020-7381(78)80037-0 . [all data]

Guo, Conklin, et al., 1989
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McMahon and Ohanessian, 2000
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Gurevich and Roshchina, 2003
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Winskowski, 1983
Winskowski, J., Gaschromatographische Identifizierung von Stoffen anhand von Indexziffem und unterschiedlichen Detektoren, Chromatographia, 1983, 17, 3, 160-165, https://doi.org/10.1007/BF02271041 . [all data]

Becerra, Sánchez, et al., 1982
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Goebel, 1982
Goebel, K.-J., Gaschromatographische Identifizierung Niedrig Siedender Substanzen Mittels Retentionsindices und Rechnerhilfe, J. Chromatogr., 1982, 235, 1, 119-127, https://doi.org/10.1016/S0021-9673(00)95793-5 . [all data]

Bogoslovsky, Anvaer, et al., 1978
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Riedo, Fritz, et al., 1976
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Golovnya and Garbuzov, 1974
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Vernon, 1971
Vernon, F., An investigation into hydrogen bonding in gas-liquid chromatography, J. Chromatogr., 1971, 63, 249-257, https://doi.org/10.1016/S0021-9673(01)85637-5 . [all data]

Jonas, Janák, et al., 1966
Jonas, J.; Janák, J.; Kratochvíl, M., Structural investigations with the aid of Kovats retention index system on one (nonpolar) stationary phase, J. Gas Chromatogr., 1966, 4, 9, 332-335, https://doi.org/10.1093/chromsci/4.9.332 . [all data]

Wehrli and Kováts, 1959
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Anderson, Jurel, et al., 1973
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Shimadzu, 2003
Shimadzu, Gas chromatography analysis of organic solvents using capillary columns (No. 2), 2003, retrieved from http://www.shimadzu.com/apps/form.cfm. [all data]

Chen, Kuo, et al., 1982
Chen, C.-C.; Kuo, M.-C.; Hwang, L.S.; Wu, J.S.-B.; Wu, C.-M., Headspace components of passion fruit juice, J. Agric. Food Chem., 1982, 30, 6, 1211-1215, https://doi.org/10.1021/jf00114a052 . [all data]

Shimadzu, 2003, 2
Shimadzu, Gas chromatography analysis of organic solvents using capillary columns (No. 3), 2003, retrieved from http://www.shimadzu.com/apps/form.cfm. [all data]

Dufka, Malinsky, et al., 1971
Dufka, O.; Malinsky, J.; Vladyka, J., Sorpcni materialy pro plynovou chromatographii - III, Chemicky promysl., 1971, 21/46, 9, 459-463. [all data]

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Habu, Flath, et al., 1985
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Flanagan, Streete, et al., 1997
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Zenkevich, 1997
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Zenkevich, Chupalov, et al., 1996
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Peng, C.T.; Yang, Z.C.; Ding, S.F., Prediction of rentention idexes. II. Structure-retention index relationship on polar columns, J. Chromatogr., 1991, 586, 1, 85-112, https://doi.org/10.1016/0021-9673(91)80028-F . [all data]


Notes

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