Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Ethanol

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, 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:
DRB - Donald R. Burgess, Jr.
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
Deltafgas-56.0 ± 0.5kcal/molAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Deltacgas-326.56 ± 0.1kcal/molCmRossini, 1932Flame Calorimetry; Corresponding «DELTA»fgas = -66.491 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
8.87250.Thermodynamics Research Center, 1997p=1 bar. Recommended entropies and heat capacities are in close agreement with other statistically calculated values [ Zhuravlev E.Z., 1959, Chermin H.A.G., 1961, Green J.H.S., 1961, Green J.H.S., 1961, 2, Chao J., 1986, Gurvich, Veyts, et al., 1989]. Please also see Chao J., 1986, 2.; GT
9.967100.
11.22150.
12.43200.
14.69273.15
15.59 ± 0.033298.15
15.65300.
19.41400.
22.89500.
25.870600.
28.401700.
30.574800.
32.459900.
34.1011000.
35.5351100.
36.7881200.
37.8801300.
38.8381400.
39.6771500.
41.351750.
42.592000.
43.502250.
44.192500.
44.72750.
45.23000.

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
12.28 ± 0.12200.Stromsoe E., 1970Experimental data [ Bennewitz K., 1938, Eucken A., 1948, Barrow G.M., 1952, Sinke G.C., 1953, Halford J.O., 1957] are collected in ref. [ Green J.H.S., 1961]. Ideal gas heat capacities are given by [ Stromsoe E., 1970] as a linear function Cp=f1*(a+bT). This expression approximates the experimental values with the average deviation of 1.09 J/mol*K. The accuracy of the experimental heat capacities [ Stromsoe E., 1970] is estimated as less than 0.3%. Please also see Green J.H.S., 1961, Counsell J.F., 1970.; GT
14.89 ± 0.13279.
14.84 ± 0.10280.
17.48350.01
18.09 ± 0.26356.55
17.82360.00
18.26 ± 0.26361.75
18.05367.9
18.16370.01
18.58 ± 0.26371.85
18.51380.00
19.07 ± 0.26387.25
19.12 ± 0.26388.85
19.22400.08
19.60410.16
19.93422.
20.10425.09
20.54 ± 0.26433.25
21.03437.
20.86 ± 0.26443.35
20.95450.08
21.78475.12
21.80476.
22.04 ± 0.26480.45
23.76 ± 0.26534.35
24.22 ± 0.26548.75
24.97 ± 0.26572.25
25.58 ± 0.26591.25

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, 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
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafliquid-66.1 ± 0.5kcal/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Deltacliquid-326.86 ± 0.06kcal/molCcbChao and Rossini, 1965see Rossini, 1934; Corresponding «DELTA»fliquid = -66.19 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-326.71 ± 0.10kcal/molCcbGreen, 1960Corresponding «DELTA»fliquid = -66.34 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-327.65kcal/molCcbParks, 1925Corresponding «DELTA»fliquid = -65.40 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-327.041kcal/molCcbRichards and Davis, 1920At 291 K; Corresponding «DELTA»fliquid = -66.006 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-327.10kcal/molCcbEmery and Benedict, 1911Corresponding «DELTA»fliquid = -65.94 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid38.207cal/mol*KN/AHaida, Suga, et al., 1977DH
liquid38.530cal/mol*KN/AGreen J.H.S., 1961DH
liquid38.41cal/mol*KN/AKelley, 1929DH
liquid42.30cal/mol*KN/AParks, 1925Extrapolation below 90 K, 55.19 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
26.86298.15Petrov, Peshekhodov, et al., 1989T = 258.15, 278.15, 298.15, 318.15 K.; DH
26.656298.15Andreoli-Ball, Patterson, et al., 1988DH
26.855298.15Ogawa and Murakami, 1986DH
26.931298.15Tanaka, Toyama, et al., 1986DH
26.413298.15Ogawa and Murakami, 1985DH
27.70298.15Stephens and Olson, 1984T = 266 to 318 K. Cp given as 0.6011 cal/g*K.; DH
26.929298.15Zegers and Somsen, 1984DH
25.829288.15Benson and D'Arcy, 1982DH
27.187298.15Villamanan, Casanova, et al., 1982DH
26.804298.15Brown and Ziegler, 1979T = 159 to 306 K. Results as equation only.; DH
26.840298.15Vesely, Zabransky, et al., 1979DH
26.89298.15Haida, Suga, et al., 1977T = 14 to 300 K. Also glass, supercooled liquid, metastable crystal.; DH
26.840298.15Vesely, Svoboda, et al., 1977T = 298 to 318 K.; DH
26.848298.15Fortier, Benson, et al., 1976DH
26.7911298.15Fortier and Benson, 1976DH
26.723298.15Pedersen, Kay, et al., 1975T = 298 to 348 K. Cp(liq) = 98.39 + 0.5368(T/K-273.25) J/mol*K (298 to 348 K).; DH
28.30313.2Paz Andrade, Paz, et al., 1970DH
23.31250.Nikolaev, Rabinovich, et al., 1967T = 80 to 250 K.; DH
26.7820297.359Hwa and Ziegler, 1966T = 165 to 304 K. Unsmoothed experimental datum.; DH
26.831298.Rabinovich and Nikolaev, 1962T = 15 to 55°C.; DH
26.759298.15Green J.H.S., 1961T = 16 to 350 K.; DH
28.39316.Swietoslawski and Zielenkiewicz, 1960Mean value 21 to 66°C.; DH
27.41297.8Mazur, 1940T = 174 to 298 K. Unsmoothed experimental datum. Cp(liq) = 0.5437 + 0.001858t + 0.0000098t2 cal/g*K. Cp(298.15 K) = 114.9 J/mol*K, calculated from equation.; DH
26.70298.Bykov, 1939DH
24.69298.Ernst, Watkins, et al., 1936DH
28.375313.15Fiock, Ginnings, et al., 1931T = 40 to 110°C.; DH
26.260294.31Kelley, 1929T = 16 to 298 K. Value is unsmoothed experimental datum.; DH
25.41270.Mitsukuri and Hara, 1929T = 190 to 270 K.; DH
38.41298.1Parks, Kelley, et al., 1929Extrapolation below 90 K, 38.9 J/mol*K. Revision of previous data.; DH
27.10298.0Parks, 1925T = 87 to 298 K. Value is unsmoothed experimental datum.; DH
27.51303.Willams and Daniels, 1924T = 303 to 333 K. Equation only.; DH
24.47271.4Gibson, Parks, et al., 1920T = 85 to 271.4 K. Unsmoothed experimental datum. Data also given for the glassy state from 85.9 to 96.3 K.; DH
26.79298.von Reis, 1881T = 288 to 346 K.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, 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
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis

Quantity Value Units Method Reference Comment
Tboil351.5 ± 0.2KAVGN/AAverage of 139 out of 149 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus158.8 ± 0.7KAVGN/AAverage of 11 out of 12 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple150. ± 20.KAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Tc514. ± 7.KAVGN/AAverage of 37 out of 38 values; Individual data points
Quantity Value Units Method Reference Comment
Pc62. ± 4.atmAVGN/AAverage of 18 out of 19 values; Individual data points
Quantity Value Units Method Reference Comment
Vc0.168l/molN/AGude and Teja, 1995 
Quantity Value Units Method Reference Comment
rhoc6.0 ± 0.2mol/lAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Deltavap10.1 ± 0.1kcal/molAVGN/AAverage of 12 out of 13 values; Individual data points

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
9.216351.5N/AMajer and Svoboda, 1985 
9.97326.N/AMejia, Segura, et al., 2010Based on data from 311. - 351. K.; AC
9.39338.N/AAucejo, Loras, et al., 1999Based on data from 323. - 357. K.; AC
9.73321.EBDiogo, Santos, et al., 1995Based on data from 309. - 343. K.; AC
9.68357.N/AOrtega, Susial, et al., 1990Based on data from 342. - 357. K.; AC
8.41393.CVine and Wormald, 1989AC
7.31423.CVine and Wormald, 1989AC
6.14453.CVine and Wormald, 1989AC
5.21473.CVine and Wormald, 1989AC
4.13493.CVine and Wormald, 1989AC
3.39503.CVine and Wormald, 1989AC
9.78320.CDong, Lin, et al., 1988AC
9.66328.CDong, Lin, et al., 1988AC
9.61335.CDong, Lin, et al., 1988AC
9.42344.CDong, Lin, et al., 1988AC
9.27351.CDong, Lin, et al., 1988AC
9.87335.AStephenson and Malanowski, 1987Based on data from 320. - 359. K.; AC
10.9256.AStephenson and Malanowski, 1987Based on data from 210. - 271. K.; AC
11.208.AStephenson and Malanowski, 1987Based on data from 193. - 223. K.; AC
9.87335.AStephenson and Malanowski, 1987Based on data from 320. - 359. K.; AC
9.58361.AStephenson and Malanowski, 1987Based on data from 349. - 374. K.; AC
9.35385.AStephenson and Malanowski, 1987Based on data from 370. - 464. K.; AC
8.63474.AStephenson and Malanowski, 1987Based on data from 459. - 514. K.; AC
10.2307.AStephenson and Malanowski, 1987Based on data from 292. - 353. K.; AC
10.2308.A,EBStephenson and Malanowski, 1987Based on data from 293. - 366. K. See also Ambrose, Counsell, et al., 1970.; AC
10.3286.N/AWilhoit and Zwolinski, 1973Based on data from 271. - 373. K.; AC
9.80 ± 0.02320.CCounsell, Fenwick, et al., 1970AC
9.56 ± 0.02335.CCounsell, Fenwick, et al., 1970AC
9.25 ± 0.02351.CCounsell, Fenwick, et al., 1970AC
10.1303.N/AVan Ness, Soczek, et al., 1967Based on data from 288. - 348. K.; AC
10.1313.N/AKretschmer and Wiebe, 1949Based on data from 298. - 351. K.; AC
9.56351.N/AOguri, Anjo, et al., 1934AC
12.9301.N/AKahlbaum, 1883Based on data from 286. - 351. K.; AC

Enthalpy of vaporization

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

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Temperature (K) 298. - 469.
A (kcal/mol) 12.05
alpha -0.4475
beta 0.4989
Tc (K) 513.9
ReferenceMajer and Svoboda, 1985

Antoine Equation Parameters

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

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Temperature (K) A B C Reference Comment
364.8 - 513.914.919601432.526-61.819Ambrose, Sprake, et al., 1975Coefficents calculated by NIST from author's data.
292.77 - 366.635.241061598.673-46.424Ambrose and Sprake, 1970Coefficents calculated by NIST from author's data.
273. - 351.705.366581670.409-40.191Kretschmer and Wiebe, 1949Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
1.189159.Yoshida, 1944DH
1.200158.5Kelley, 1929DH
1.106156.2Gibson, Parks, et al., 1920DH
1.11158.8Domalski and Hearing, 1996AC
1.186158.7Parks, 1925DH

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
7.48159.Yoshida, 1944DH
7.572158.5Kelley, 1929DH
5.072158.7Parks, 1925DH

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
6.730111.4Domalski and Hearing, 1996CAL
6.991158.8
1.2127.5
7.41159.

Enthalpy of phase transition

DeltaHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.158127.5crystaline, IIliquidHaida, Suga, et al., 1977DH
1.179159.00crystaline, IliquidHaida, Suga, et al., 1977DH
0.7500111.4crystaline, IIcrystaline, INikolaev, Rabinovich, et al., 1967DH
1.110158.8crystaline, IliquidNikolaev, Rabinovich, et al., 1967DH

Entropy of phase transition

DeltaStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
1.24127.5crystaline, IIliquidHaida, Suga, et al., 1977DH
7.412159.00crystaline, IliquidHaida, Suga, et al., 1977DH
6.733111.4crystaline, IIcrystaline, INikolaev, Rabinovich, et al., 1967DH
6.989158.8crystaline, IliquidNikolaev, Rabinovich, et al., 1967DH

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:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, 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
MS - José A. Martinho Simões
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.

Reactions 1 to 50

C2H7O+ + Ethanol = (C2H7O+ bullet Ethanol)

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

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

Quantity Value Units Method Reference Comment
Deltar32.0kcal/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
Deltar32.2kcal/molICRBomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
Deltar28.5cal/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
Deltar28.5cal/mol*KN/ABomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
Deltar23.5kcal/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
Deltar23.7kcal/molICRBomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M

C2H5O- + Ethanol = (C2H5O- bullet Ethanol)

By formula: C2H5O- + C2H6O = (C2H5O- bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar27.6 ± 1.0kcal/molTDEqMeot-Ner and Sieck, 1986gas phase; B,M
Deltar28.1 ± 2.5kcal/molN/ACaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M
Quantity Value Units Method Reference Comment
Deltar26.8cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Deltar29.3cal/mol*KN/ACaldwell, Rozeboom, et al., 1984gas phase; switching reaction(CH3O-)CH3OH; Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M
Quantity Value Units Method Reference Comment
Deltar19.6 ± 1.6kcal/molTDEqMeot-Ner and Sieck, 1986gas phase; B
Deltar19.0 ± 1.6kcal/molIMRECaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M
Deltar20.1kcal/molICRMcIver, Scott, et al., 1973gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; Meot-Ner (Mautner), 1992; M

C2H5NaO (cr) + 0.5(Sulfuric Acid bullet 1100Water) (solution) = Ethanol (solution) + 0.5sodium sulphate (solution)

By formula: C2H5NaO (cr) + 0.5(H2O4S bullet 1100H2O) (solution) = C2H6O (solution) + 0.5Na2O4S (solution)

Quantity Value Units Method Reference Comment
Deltar-28.30 ± 0.91kcal/molRSCBlanchard, Joly, et al., 1974solvent: Sulphuric acid aqueous solution; The reaction enthalpy relies on -2.53 kcal/mol for the enthalpy of solution of EtOH(l) and on 9.97±0.04 for the enthalpy of solution of Na2SO4(cr) Blanchard, Joly, et al., 1974. A value of -117.3 ± 1.4 kcal/mol was derived in Blanchard, Joly, et al., 1974 for the enthalpy of formation. However, this value is affected by a calculation error. Also, the authors have not accounted for the acid dilution (this correction could not be made in the present database, due to lack of information). These problems were also noted in the data compilations Tel'noi and Rabinovich, 1980 and Wagman, Evans W.H., et al., 1982, where the values quoted for the enthalpy of formation, which rely on the experimental data reported in Blanchard, Joly, et al., 1974, are -98.0 ± 1.0 kcal/mol and -98.90 kcal/mol, respectively. See also comments in Liebman, Martinho Simões, et al., 1995; MS

Chlorine anion + Ethanol = (Chlorine anion bullet Ethanol)

By formula: Cl- + C2H6O = (Cl- bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar17.90 ± 0.40kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar17.60 ± 0.50kcal/molTDAsHiraoka, 1987gas phase; B,B,M
Deltar17.3 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar23.7cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Deltar23.1cal/mol*KN/ALarson and McMahon, 1984gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M
Quantity Value Units Method Reference Comment
Deltar10.65kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar10.5 ± 2.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B
Deltar10.5 ± 2.0kcal/molTDAsHiraoka, 1987gas phase; B
Deltar10.4 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
10.0295.ICRRiveros, 1974gas phase; switching reaction(Cl-)CH3OH; Riveros, Breda, et al., 1973; M

C2H5O- + Hydrogen cation = Ethanol

By formula: C2H5O- + H+ = C2H6O

Quantity Value Units Method Reference Comment
Deltar379.2 ± 1.0kcal/molD-EARamond, Davico, et al., 2000gas phase; B
Deltar378.0 ± 2.0kcal/molCIDCHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
Deltar377.4 ± 2.1kcal/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar379.10 ± 0.10kcal/molCIDTDeTuri and Ervin, 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar372.6 ± 1.1kcal/molH-TSRamond, Davico, et al., 2000gas phase; B
Deltar371.4 ± 2.1kcal/molH-TSHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
Deltar370.8 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B

C2H5O+ + Ethanol = (C2H5O+ bullet Ethanol)

By formula: C2H5O+ + C2H6O = (C2H5O+ bullet C2H6O)

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

Quantity Value Units Method Reference Comment
Deltar29.5kcal/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
Deltar26.0cal/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
Deltar21.7kcal/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

C3H9O+ + Ethanol = (C3H9O+ bullet Ethanol)

By formula: C3H9O+ + C2H6O = (C3H9O+ bullet C2H6O)

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

Quantity Value Units Method Reference Comment
Deltar30.5kcal/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
Deltar28.6cal/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
Deltar22.0kcal/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

C4H9O- + Ethanol = (C4H9O- bullet Ethanol)

By formula: C4H9O- + C2H6O = (C4H9O- bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar26.6 ± 2.9kcal/molN/ACaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M
Quantity Value Units Method Reference Comment
Deltar29.3cal/mol*KN/ACaldwell, Rozeboom, et al., 1984gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M
Quantity Value Units Method Reference Comment
Deltar17.9 ± 2.0kcal/molIMRECaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M

C3H7O- + Ethanol = (C3H7O- bullet Ethanol)

By formula: C3H7O- + C2H6O = (C3H7O- bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar27.4 ± 2.9kcal/molN/ACaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M
Quantity Value Units Method Reference Comment
Deltar29.3cal/mol*KN/ACaldwell, Rozeboom, et al., 1984gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M
Quantity Value Units Method Reference Comment
Deltar18.7 ± 2.0kcal/molIMRECaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M

C3H9O+ + Ethanol = (C3H9O+ bullet Ethanol)

By formula: C3H9O+ + C2H6O = (C3H9O+ bullet C2H6O)

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

Quantity Value Units Method Reference Comment
Deltar31.9kcal/molICRBomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
Deltar28.2cal/mol*KN/ABomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
Deltar23.5kcal/molICRBomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M

Fluorine anion + Ethanol = (Fluorine anion bullet Ethanol)

By formula: F- + C2H6O = (F- bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar32.40 ± 0.70kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar31.5 ± 2.0kcal/molIMRELarson and McMahon, 1983gas phase; B,M
Deltar32.5 ± 2.2kcal/molCIDTDeTuri and Ervin, 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar24.9cal/mol*KN/ALarson and McMahon, 1983gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Quantity Value Units Method Reference Comment
Deltar24.74kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar24.1 ± 2.0kcal/molIMRELarson and McMahon, 1983gas phase; B,M

CN- + Ethanol = (CN- bullet Ethanol)

By formula: CN- + C2H6O = (CN- bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar17.4 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Deltar17.4 ± 3.5kcal/molIMRELarson and McMahon, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar22.5cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Deltar24.5cal/mol*KN/ALarson and McMahon, 1987gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M
Quantity Value Units Method Reference Comment
Deltar10.7 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B
Deltar10.0 ± 2.3kcal/molIMRELarson and McMahon, 1987gas phase; B,M

Iodide + Ethanol = (Iodide bullet Ethanol)

By formula: I- + C2H6O = (I- bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar13.00 ± 0.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar12.1 ± 1.0kcal/molTDAsCaldwell and Kebarle, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar18.9cal/mol*KPHPMSCaldwell and Kebarle, 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar6.11kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar6.4 ± 1.0kcal/molTDAsCaldwell and Kebarle, 1984gas phase; B
Deltar6.0 ± 2.0kcal/molIMRETanabe, Morgon, et al., 1996gas phase; Anchored to H2O..I- of Caldwell and Kebarle, 1984; B

C3H9Si+ + Ethanol = (C3H9Si+ bullet Ethanol)

By formula: C3H9Si+ + C2H6O = (C3H9Si+ bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar42.0kcal/molPHPMSWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder(CH3)3Si+))H2O, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar30.3cal/mol*KN/AWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder(CH3)3Si+))H2O, Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
27.9468.PHPMSWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder(CH3)3Si+))H2O, Entropy change calculated or estimated; M

HS- + Ethanol = (HS- bullet Ethanol)

By formula: HS- + C2H6O = (HS- bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar16.30 ± 0.10kcal/molTDAsSieck and Meot-ner, 1989gas phase; B,M
Deltar16.2 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar19.0cal/mol*KPHPMSSieck and Meot-ner, 1989gas phase; M
Deltar19.8cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar10.60 ± 0.40kcal/molTDAsSieck and Meot-ner, 1989gas phase; B
Deltar10.3 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

C3H9Sn+ + Ethanol = (C3H9Sn+ bullet Ethanol)

By formula: C3H9Sn+ + C2H6O = (C3H9Sn+ bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar34.8kcal/molPHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar32.2cal/mol*KN/AStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
17.9525.PHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

C5H11O- + Ethanol = (C5H11O- bullet Ethanol)

By formula: C5H11O- + C2H6O = (C5H11O- bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar26.3 ± 2.9kcal/molN/ACaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Deltar17.6 ± 2.0kcal/molIMRECaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B

(Chlorine anion bullet 2Ethanol) + Ethanol = (Chlorine anion bullet 3Ethanol)

By formula: (Cl- bullet 2C2H6O) + C2H6O = (Cl- bullet 3C2H6O)

Quantity Value Units Method Reference Comment
Deltar13.90 ± 0.70kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar12.8 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar25.8cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar5.16kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar5.1 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion bullet Ethanol) + Ethanol = (Chlorine anion bullet 2Ethanol)

By formula: (Cl- bullet C2H6O) + C2H6O = (Cl- bullet 2C2H6O)

Quantity Value Units Method Reference Comment
Deltar15.30 ± 0.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar16.1 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar25.9cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar7.34kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar8.3 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion bullet 9Ethanol) + Ethanol = (Chlorine anion bullet 10Ethanol)

By formula: (Cl- bullet 9C2H6O) + C2H6O = (Cl- bullet 10C2H6O)

Quantity Value Units Method Reference Comment
Deltar8.9 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B,M
Quantity Value Units Method Reference Comment
Deltar25.cal/mol*KN/AHiraoka and Mizuse, 1987gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar1.4 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B

(Chlorine anion bullet 8Ethanol) + Ethanol = (Chlorine anion bullet 9Ethanol)

By formula: (Cl- bullet 8C2H6O) + C2H6O = (Cl- bullet 9C2H6O)

Quantity Value Units Method Reference Comment
Deltar9.0 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B,M
Quantity Value Units Method Reference Comment
Deltar25.cal/mol*KN/AHiraoka and Mizuse, 1987gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar1.5 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B

CH6N+ + Ethanol = (CH6N+ bullet Ethanol)

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

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

Quantity Value Units Method Reference Comment
Deltar21.3kcal/molPHPMSMeot-Ner, 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar25.cal/mol*KN/AMeot-Ner, 1984gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
8.9496.PHPMSMeot-Ner, 1984gas phase; Entropy change calculated or estimated; M

Sodium ion (1+) + Ethanol = (Sodium ion (1+) bullet Ethanol)

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

Quantity Value Units Method Reference Comment
Deltar26.3 ± 1.3kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Deltar24.4 ± 0.9kcal/molCIDTArmentrout and Rodgers, 2000RCD
Deltar24.4 ± 0.9kcal/molCIDTRodgers and Armentrout, 1999RCD

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
19.0298.IMREMcMahon and Ohanessian, 2000Anchor alanine=39.89; RCD
0.00.CIDTRodgers and Armentrout, 1999RCD

(Sodium ion (1+) bullet Ethanol) + Ethanol = (Sodium ion (1+) bullet 2Ethanol)

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

Quantity Value Units Method Reference Comment
Deltar23.7 ± 1.6kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Deltar23.1 ± 1.1kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Deltar23.7 ± 1.6kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Deltar23.3 ± 1.4kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD

C2H5LiO (cr) + 0.5(Sulfuric Acid bullet 1100Water) (solution) = 0.5Li2O4S (solution) + Ethanol (solution)

By formula: C2H5LiO (cr) + 0.5(H2O4S bullet 1100H2O) (solution) = 0.5Li2O4S (solution) + C2H6O (solution)

Quantity Value Units Method Reference Comment
Deltar-27.15 ± 0.31kcal/molRSCBlanchard, Joly, et al., 1974solvent: Sulphuric acid aqueous solution; The reaction enthalpy relies on -2.53 kcal/mol for the enthalpy of solution of EtOH(l) and on -17.5±0.3 for the enthalpy of solution of Li2SO4(cr) Blanchard, Joly, et al., 1974.; MS

C2H5KO (cr) + 0.5(Sulfuric Acid bullet 1100Water) (solution) = Ethanol (solution) + 0.5K2O4S (solution)

By formula: C2H5KO (cr) + 0.5(H2O4S bullet 1100H2O) (solution) = C2H6O (solution) + 0.5K2O4S (solution)

Quantity Value Units Method Reference Comment
Deltar-31.62 ± 0.69kcal/molRSCBlanchard, Joly, et al., 1974solvent: Sulphuric acid aqueous solution; The reaction enthalpy relies on -2.53 kcal/mol for the enthalpy of solution of EtOH(l) and on 35.1±0.1 for the enthalpy of solution of K2SO4(cr) Blanchard, Joly, et al., 1974.; MS

Bromine anion + Ethanol = C2H6BrO-

By formula: Br- + C2H6O = C2H6BrO-

Quantity Value Units Method Reference Comment
Deltar14.10 ± 0.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar8.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar8.8 ± 2.0kcal/molIMRETanabe, Morgon, et al., 1996gas phase; Anchored to H2O..Br- of Hiraoka, Mizure, et al., 19882; B

Hydrogen + Acetaldehyde = Ethanol

By formula: H2 + C2H4O = C2H6O

Quantity Value Units Method Reference Comment
Deltar-19.44 ± 0.34kcal/molChydWiberg, Crocker, et al., 1991liquid phase; solvent: Triglyme; ALS
Deltar-16.51 ± 0.10kcal/molChydDolliver, Gresham, et al., 1938gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -16.8 ± 0.1 kcal/mol; At 355 °K; ALS

(Chlorine anion bullet 3Ethanol) + Ethanol = (Chlorine anion bullet 4Ethanol)

By formula: (Cl- bullet 3C2H6O) + C2H6O = (Cl- bullet 4C2H6O)

Quantity Value Units Method Reference Comment
Deltar12.0 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar29.5cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar3.2 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion bullet 4Ethanol) + Ethanol = (Chlorine anion bullet 5Ethanol)

By formula: (Cl- bullet 4C2H6O) + C2H6O = (Cl- bullet 5C2H6O)

Quantity Value Units Method Reference Comment
Deltar11.5 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar30.6cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar2.3 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion bullet 5Ethanol) + Ethanol = (Chlorine anion bullet 6Ethanol)

By formula: (Cl- bullet 5C2H6O) + C2H6O = (Cl- bullet 6C2H6O)

Quantity Value Units Method Reference Comment
Deltar11.1 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar31.0cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar1.8 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion bullet 6Ethanol) + Ethanol = (Chlorine anion bullet 7Ethanol)

By formula: (Cl- bullet 6C2H6O) + C2H6O = (Cl- bullet 7C2H6O)

Quantity Value Units Method Reference Comment
Deltar9.8 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar26.9cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar1.7 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion bullet 7Ethanol) + Ethanol = (Chlorine anion bullet 8Ethanol)

By formula: (Cl- bullet 7C2H6O) + C2H6O = (Cl- bullet 8C2H6O)

Quantity Value Units Method Reference Comment
Deltar9.2 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar25.2cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar1.6 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

MeCO2 anion + Ethanol = (MeCO2 anion bullet Ethanol)

By formula: C2H3O2- + C2H6O = (C2H3O2- bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar20.7 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar29.2cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar11.9 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

1-Propene, 2-methyl- + Ethanol = Propane, 2-ethoxy-2-methyl-

By formula: C4H8 + C2H6O = C6H14O

Quantity Value Units Method Reference Comment
Deltar-7.65kcal/molCmSola, Pericas, et al., 1995liquid phase; ALS
Deltar-7.65kcal/molKinSola, Pericas, et al., 1995liquid phase; ALS
Deltar-14.9 ± 0.5kcal/molEqkIborra, Izquierdo, et al., 1989gas phase; GC; ALS

C2H4NO2- + Ethanol = C4H10NO3-

By formula: C2H4NO2- + C2H6O = C4H10NO3-

Quantity Value Units Method Reference Comment
Deltar17.57 ± 0.50kcal/molTDAsNieckarz, Atkins, et al., 2008gas phase; B
Quantity Value Units Method Reference Comment
Deltar9.8 ± 1.0kcal/molTDAsNieckarz, Atkins, et al., 2008gas phase; B

Iodide + 2Ethanol = C4H12IO2-

By formula: I- + 2C2H6O = C4H12IO2-

Quantity Value Units Method Reference Comment
Deltar10.50 ± 0.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar4.42kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

Bromine anion + 2Ethanol = C4H12BrO2-

By formula: Br- + 2C2H6O = C4H12BrO2-

Quantity Value Units Method Reference Comment
Deltar11.50 ± 0.60kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar5.72kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

Iodide + 3Ethanol = C6H18IO3-

By formula: I- + 3C2H6O = C6H18IO3-

Quantity Value Units Method Reference Comment
Deltar8.40 ± 0.50kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar3.51kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

Bromine anion + 3Ethanol = C6H18BrO3-

By formula: Br- + 3C2H6O = C6H18BrO3-

Quantity Value Units Method Reference Comment
Deltar9.50 ± 0.30kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar4.37kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

C2H6FO- + 2Ethanol = C4H12FO2-

By formula: C2H6FO- + 2C2H6O = C4H12FO2-

Quantity Value Units Method Reference Comment
Deltar20.60 ± 0.30kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar12.10kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

Ethanol + Propanoic acid = Propanoic acid, ethyl ester + Water

By formula: C2H6O + C3H6O2 = C5H10O2 + H2O

Quantity Value Units Method Reference Comment
Deltar-5.40 ± 0.10kcal/molEqkEssex and Sandholzer, 1938liquid phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -5.627 kcal/mol; ALS

C4H12FO2- + 3Ethanol = C6H18FO3-

By formula: C4H12FO2- + 3C2H6O = C6H18FO3-

Quantity Value Units Method Reference Comment
Deltar15.60 ± 0.10kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar8.12kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

phenoxide anion + Ethanol = C8H11O2-

By formula: C6H5O- + C2H6O = C8H11O2-

Quantity Value Units Method Reference Comment
Deltar19.3 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B
Quantity Value Units Method Reference Comment
Deltar11.2 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

phenoxide anion + Ethanol = (phenoxide anion bullet Ethanol)

By formula: C6H5O- + C2H6O = (C6H5O- bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar19.3kcal/molPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar27.0cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M

4Ethanol (l) + Titanium tetrachloride (l) = titanium(4+) ethanolate (l) + 4(Hydrogen chloride bullet 51.3Water) (solution)

By formula: 4C2H6O (l) + Cl4Ti (l) = C8H20O4Ti (l) + 4(HCl bullet 51.3H2O) (solution)

Quantity Value Units Method Reference Comment
Deltar-49.1 ± 1.0kcal/molRSCBradley and Hillyer, 1966Please also see Pedley and Rylance, 1977.; MS

Fluorine anion + Ethanol = C2H5D6FO-

By formula: F- + C2H6O = C2H5D6FO-

Quantity Value Units Method Reference Comment
Deltar23.7 ± 2.0kcal/molIMREWilkinson, Szulejko, et al., 1992gas phase; Reported relative to ROH..F-, 0.5 kcal/mol weaker.; B

Magnesium ion (1+) + Ethanol = (Magnesium ion (1+) bullet Ethanol)

By formula: Mg+ + C2H6O = (Mg+ bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar63. ± 5.kcal/molICROperti, Tews, et al., 1988gas phase; switching reaction,Thermochemical ladder(Mg+)CH3OH; M

3Sodium hydroxide + Carbonochloridic acid, ethyl ester = CNa2O3 + Ethanol + sodium chloride + Water

By formula: 3HNaO + C3H5ClO2 = CNa2O3 + C2H6O + ClNa + H2O

Quantity Value Units Method Reference Comment
Deltar-77.27 ± 0.41kcal/molCmDavies, Finch, et al., 1980liquid phase; Heat of hydrolysis; ALS

Acetylimidazole diethyl acetal + Water = Ethyl Acetate + 1H-Imidazole + Ethanol

By formula: C9H16N2O2 + H2O = C4H8O2 + C3H4N2 + C2H6O

Quantity Value Units Method Reference Comment
Deltar-10.68 ± 0.16kcal/molCmGuthrie and Pike, 1987liquid phase; Heat of hydrolysis; ALS

Henry's Law data

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), Gas Chromatography, NIST Free Links, 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: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/kg*bar)
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/kg*bar) d(ln(kH))/d(1/T) (K) Method Reference Comment
120. QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
200. XN/A 
190.6600.MN/A 
200. XN/AValue given here as quoted by missing citation.
230. MN/A 
150.6400.XN/A 
220. MN/A 
160. M,XTimmermans, 1960Value given here as quoted by missing citation.
190. MButler, Ramchandani, et al., 1935 

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, 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
MM - Michael M. Meot-Ner (Mautner)
LL - Sharon G. Lias and Joel F. Liebman
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)10.48 ± 0.07eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)185.6kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity178.kcal/molN/AHunter and Lias, 1998HL

Proton affinity at 298K

Proton affinity (kcal/mol) Reference Comment
186.3 ± 0.2Tabrizchi and Shooshtari, 2003T = 403-453K; Authors report only relative PAs. Absolute values are referenced here to PA(CH3COOC2H5) = 835.7 kJ/mol as listed in Hunter and Lias, 1998, although average PA(CH3COOC2H5) from the literature sources in Hunter and Lias, 1998 is 831.0 kJ/mol; MM

Ionization energy determinations

IE (eV) Method Reference Comment
10.41 ± 0.05EIHolmes and Lossing, 1991LL
10.4PEOhno, Imai, et al., 1985LBLHLM
10.47 ± 0.07EIBowen and Maccoll, 1984LBLHLM
10.3PEOhno, Imai, et al., 1983LBLHLM
10.5EIMishchanchuk, Pokrovskii, et al., 1982LBLHLM
10.7PEVon Niessen, Bieri, et al., 1980LLK
10.49 ± 0.01PIPotapov and Sorokin, 1972LLK
10.46 ± 0.02PECocksey, Eland, et al., 1971LLK
10.65PEBaker, Betteridge, et al., 1971LLK
10.46PEDewar and Worley, 1969RDSH
10.47 ± 0.02PIRefaey and Chupka, 1968RDSH
10.48 ± 0.05PIWatanabe, Nakayama, et al., 1962RDSH
10.64PEOhno, Imai, et al., 1985Vertical value; LBLHLM
10.64PEUtsunomiya, Kobayashi, et al., 1980Vertical value; LLK
10.65PEHoppilliard and Solgadi, 1980Vertical value; LLK
10.61PEBenoit and Harrison, 1977Vertical value; LLK
10.65 ± 0.03PEPeel and Willett, 1975Vertical value; LLK
10.59PEVovna, Lopatin, et al., 1974Vertical value; LLK
10.04PESchweig and Thiel, 1974Vertical value; LLK
10.62PERobin and Kuebler, 1973Vertical value; LLK
10.64PEKatsumata, Iwai, et al., 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C+22.9 ± 0.5H2+H+CH2OHEIStepanov, Perov, et al., 1988LL
CH2O+11.70CH4PIRefaey and Chupka, 1968RDSH
CH3+14.70 ± 0.10?EIHaney and Franklin, 1969RDSH
CH3O+11.25 ± 0.09CH3EIBowen and Maccoll, 1984LBLHLM
CH3O+11.40 ± 0.06CH3EISelim and Helal, 1981LLK
CH3O+11.30CH3EILossing, 1977LLK
CH3O+11.20 ± 0.05CH3PIPotapov and Sorokin, 1972LLK
CH3O+11.25CH3PIRefaey and Chupka, 1968RDSH
C2H3+14.7?EIFriedman, Long, et al., 1957RDSH
C2H3O+14.5H2+HEIFriedman, Long, et al., 1957RDSH
C2H4+12.0 ± 0.9H2OEIBowen and Maccoll, 1984LBLHLM
C2H4+12.0H2OPIRefaey and Chupka, 1968RDSH
C2H4O+~10.45H2EIHolmes, Terlouw, et al., 1976LLK
C2H5+12.7OHPIRefaey and Chupka, 1968RDSH
C2H5O+10.78 ± 0.09HEIBowen and Maccoll, 1984LBLHLM
C2H5O+10.6HEIMishchanchuk, Pokrovskii, et al., 1982LBLHLM
C2H5O+10.67HEILossing, 1977LLK
C2H5O+10.75 ± 0.03HEISolka and Russell, 1974LLK
C2H5O+10.80 ± 0.05HPIPotapov and Sorokin, 1972LLK
C2H5O+10.78 ± 0.02HPIRefaey and Chupka, 1968RDSH
C2H5O+[CH3CHOH+]10.801 ± 0.005HPIRuscic and Berkowitz, 1994T = 0K; LL
H+21.0 ± 0.5CH2+CH2OHEIStepanov, Perov, et al., 1988LL
H2O+13.06C2H4EILewis and Hamill, 1970RDSH
H3O+13.8H2+C2H3PIPECONiwa, Nishimura, et al., 1982LBLHLM
H3O+14.30 ± 0.02?EIHaney and Franklin, 1969, 2RDSH
O+21.7 ± 0.52CH3EIStepanov, Perov, et al., 1988LL

De-protonation reactions

C2H5O- + Hydrogen cation = Ethanol

By formula: C2H5O- + H+ = C2H6O

Quantity Value Units Method Reference Comment
Deltar379.2 ± 1.0kcal/molD-EARamond, Davico, et al., 2000gas phase; B
Deltar378.0 ± 2.0kcal/molCIDCHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
Deltar377.4 ± 2.1kcal/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar379.10 ± 0.10kcal/molCIDTDeTuri and Ervin, 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar372.6 ± 1.1kcal/molH-TSRamond, Davico, et al., 2000gas phase; B
Deltar371.4 ± 2.1kcal/molH-TSHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
Deltar370.8 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B

Anion protonation reactions

C2H5O- + Hydrogen cation = Ethanol

By formula: C2H5O- + H+ = C2H6O

Quantity Value Units Method Reference Comment
Deltar379.2 ± 1.0kcal/molD-EARamond, Davico, et al., 2000gas phase; B
Deltar378.0 ± 2.0kcal/molCIDCHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
Deltar377.4 ± 2.1kcal/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar379.10 ± 0.10kcal/molCIDTDeTuri and Ervin, 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar372.6 ± 1.1kcal/molH-TSRamond, Davico, et al., 2000gas phase; B
Deltar371.4 ± 2.1kcal/molH-TSHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
Deltar370.8 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, 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:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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

Bromine anion + Ethanol = C2H6BrO-

By formula: Br- + C2H6O = C2H6BrO-

Quantity Value Units Method Reference Comment
Deltar14.10 ± 0.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar8.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar8.8 ± 2.0kcal/molIMRETanabe, Morgon, et al., 1996gas phase; Anchored to H2O..Br- of Hiraoka, Mizure, et al., 19882; B

Bromine anion + 2Ethanol = C4H12BrO2-

By formula: Br- + 2C2H6O = C4H12BrO2-

Quantity Value Units Method Reference Comment
Deltar11.50 ± 0.60kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar5.72kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

Bromine anion + 3Ethanol = C6H18BrO3-

By formula: Br- + 3C2H6O = C6H18BrO3-

Quantity Value Units Method Reference Comment
Deltar9.50 ± 0.30kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar4.37kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

CH6N+ + Ethanol = (CH6N+ bullet Ethanol)

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

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

Quantity Value Units Method Reference Comment
Deltar21.3kcal/molPHPMSMeot-Ner, 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar25.cal/mol*KN/AMeot-Ner, 1984gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
8.9496.PHPMSMeot-Ner, 1984gas phase; Entropy change calculated or estimated; M

CN- + Ethanol = (CN- bullet Ethanol)

By formula: CN- + C2H6O = (CN- bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar17.4 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Deltar17.4 ± 3.5kcal/molIMRELarson and McMahon, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar22.5cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Deltar24.5cal/mol*KN/ALarson and McMahon, 1987gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M
Quantity Value Units Method Reference Comment
Deltar10.7 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B
Deltar10.0 ± 2.3kcal/molIMRELarson and McMahon, 1987gas phase; B,M

MeCO2 anion + Ethanol = (MeCO2 anion bullet Ethanol)

By formula: C2H3O2- + C2H6O = (C2H3O2- bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar20.7 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar29.2cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar11.9 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

C2H4NO2- + Ethanol = C4H10NO3-

By formula: C2H4NO2- + C2H6O = C4H10NO3-

Quantity Value Units Method Reference Comment
Deltar17.57 ± 0.50kcal/molTDAsNieckarz, Atkins, et al., 2008gas phase; B
Quantity Value Units Method Reference Comment
Deltar9.8 ± 1.0kcal/molTDAsNieckarz, Atkins, et al., 2008gas phase; B

C2H5O+ + Ethanol = (C2H5O+ bullet Ethanol)

By formula: C2H5O+ + C2H6O = (C2H5O+ bullet C2H6O)

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

Quantity Value Units Method Reference Comment
Deltar29.5kcal/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
Deltar26.0cal/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
Deltar21.7kcal/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

C2H5O- + Ethanol = (C2H5O- bullet Ethanol)

By formula: C2H5O- + C2H6O = (C2H5O- bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar27.6 ± 1.0kcal/molTDEqMeot-Ner and Sieck, 1986gas phase; B,M
Deltar28.1 ± 2.5kcal/molN/ACaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M
Quantity Value Units Method Reference Comment
Deltar26.8cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Deltar29.3cal/mol*KN/ACaldwell, Rozeboom, et al., 1984gas phase; switching reaction(CH3O-)CH3OH; Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M
Quantity Value Units Method Reference Comment
Deltar19.6 ± 1.6kcal/molTDEqMeot-Ner and Sieck, 1986gas phase; B
Deltar19.0 ± 1.6kcal/molIMRECaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M
Deltar20.1kcal/molICRMcIver, Scott, et al., 1973gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; Meot-Ner (Mautner), 1992; M

C2H6FO- + 2Ethanol = C4H12FO2-

By formula: C2H6FO- + 2C2H6O = C4H12FO2-

Quantity Value Units Method Reference Comment
Deltar20.60 ± 0.30kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar12.10kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

C2H7O+ + Ethanol = (C2H7O+ bullet Ethanol)

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

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

Quantity Value Units Method Reference Comment
Deltar32.0kcal/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
Deltar32.2kcal/molICRBomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
Deltar28.5cal/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
Deltar28.5cal/mol*KN/ABomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
Deltar23.5kcal/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
Deltar23.7kcal/molICRBomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M

C3H7O- + Ethanol = (C3H7O- bullet Ethanol)

By formula: C3H7O- + C2H6O = (C3H7O- bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar27.4 ± 2.9kcal/molN/ACaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M
Quantity Value Units Method Reference Comment
Deltar29.3cal/mol*KN/ACaldwell, Rozeboom, et al., 1984gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M
Quantity Value Units Method Reference Comment
Deltar18.7 ± 2.0kcal/molIMRECaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M

C3H9O+ + Ethanol = (C3H9O+ bullet Ethanol)

By formula: C3H9O+ + C2H6O = (C3H9O+ bullet C2H6O)

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

Quantity Value Units Method Reference Comment
Deltar30.5kcal/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
Deltar28.6cal/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
Deltar22.0kcal/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

C3H9O+ + Ethanol = (C3H9O+ bullet Ethanol)

By formula: C3H9O+ + C2H6O = (C3H9O+ bullet C2H6O)

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

Quantity Value Units Method Reference Comment
Deltar31.9kcal/molICRBomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
Deltar28.2cal/mol*KN/ABomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
Deltar23.5kcal/molICRBomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M

C3H9Si+ + Ethanol = (C3H9Si+ bullet Ethanol)

By formula: C3H9Si+ + C2H6O = (C3H9Si+ bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar42.0kcal/molPHPMSWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder(CH3)3Si+))H2O, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar30.3cal/mol*KN/AWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder(CH3)3Si+))H2O, Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
27.9468.PHPMSWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder(CH3)3Si+))H2O, Entropy change calculated or estimated; M

C3H9Sn+ + Ethanol = (C3H9Sn+ bullet Ethanol)

By formula: C3H9Sn+ + C2H6O = (C3H9Sn+ bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar34.8kcal/molPHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar32.2cal/mol*KN/AStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
17.9525.PHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

C4H9O- + Ethanol = (C4H9O- bullet Ethanol)

By formula: C4H9O- + C2H6O = (C4H9O- bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar26.6 ± 2.9kcal/molN/ACaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M
Quantity Value Units Method Reference Comment
Deltar29.3cal/mol*KN/ACaldwell, Rozeboom, et al., 1984gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M
Quantity Value Units Method Reference Comment
Deltar17.9 ± 2.0kcal/molIMRECaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M

C4H12FO2- + 3Ethanol = C6H18FO3-

By formula: C4H12FO2- + 3C2H6O = C6H18FO3-

Quantity Value Units Method Reference Comment
Deltar15.60 ± 0.10kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar8.12kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

C5H11O- + Ethanol = (C5H11O- bullet Ethanol)

By formula: C5H11O- + C2H6O = (C5H11O- bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar26.3 ± 2.9kcal/molN/ACaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Deltar17.6 ± 2.0kcal/molIMRECaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B

phenoxide anion + Ethanol = (phenoxide anion bullet Ethanol)

By formula: C6H5O- + C2H6O = (C6H5O- bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar19.3kcal/molPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar27.0cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M

phenoxide anion + Ethanol = C8H11O2-

By formula: C6H5O- + C2H6O = C8H11O2-

Quantity Value Units Method Reference Comment
Deltar19.3 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B
Quantity Value Units Method Reference Comment
Deltar11.2 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

Chlorine anion + Ethanol = (Chlorine anion bullet Ethanol)

By formula: Cl- + C2H6O = (Cl- bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar17.90 ± 0.40kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar17.60 ± 0.50kcal/molTDAsHiraoka, 1987gas phase; B,B,M
Deltar17.3 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar23.7cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Deltar23.1cal/mol*KN/ALarson and McMahon, 1984gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M
Quantity Value Units Method Reference Comment
Deltar10.65kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar10.5 ± 2.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B
Deltar10.5 ± 2.0kcal/molTDAsHiraoka, 1987gas phase; B
Deltar10.4 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
10.0295.ICRRiveros, 1974gas phase; switching reaction(Cl-)CH3OH; Riveros, Breda, et al., 1973; M

(Chlorine anion bullet Ethanol) + Ethanol = (Chlorine anion bullet 2Ethanol)

By formula: (Cl- bullet C2H6O) + C2H6O = (Cl- bullet 2C2H6O)

Quantity Value Units Method Reference Comment
Deltar15.30 ± 0.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar16.1 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar25.9cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar7.34kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar8.3 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion bullet 2Ethanol) + Ethanol = (Chlorine anion bullet 3Ethanol)

By formula: (Cl- bullet 2C2H6O) + C2H6O = (Cl- bullet 3C2H6O)

Quantity Value Units Method Reference Comment
Deltar13.90 ± 0.70kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar12.8 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar25.8cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar5.16kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar5.1 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion bullet 3Ethanol) + Ethanol = (Chlorine anion bullet 4Ethanol)

By formula: (Cl- bullet 3C2H6O) + C2H6O = (Cl- bullet 4C2H6O)

Quantity Value Units Method Reference Comment
Deltar12.0 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar29.5cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar3.2 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion bullet 4Ethanol) + Ethanol = (Chlorine anion bullet 5Ethanol)

By formula: (Cl- bullet 4C2H6O) + C2H6O = (Cl- bullet 5C2H6O)

Quantity Value Units Method Reference Comment
Deltar11.5 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar30.6cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar2.3 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion bullet 5Ethanol) + Ethanol = (Chlorine anion bullet 6Ethanol)

By formula: (Cl- bullet 5C2H6O) + C2H6O = (Cl- bullet 6C2H6O)

Quantity Value Units Method Reference Comment
Deltar11.1 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar31.0cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar1.8 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion bullet 6Ethanol) + Ethanol = (Chlorine anion bullet 7Ethanol)

By formula: (Cl- bullet 6C2H6O) + C2H6O = (Cl- bullet 7C2H6O)

Quantity Value Units Method Reference Comment
Deltar9.8 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar26.9cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar1.7 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion bullet 7Ethanol) + Ethanol = (Chlorine anion bullet 8Ethanol)

By formula: (Cl- bullet 7C2H6O) + C2H6O = (Cl- bullet 8C2H6O)

Quantity Value Units Method Reference Comment
Deltar9.2 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar25.2cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar1.6 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion bullet 8Ethanol) + Ethanol = (Chlorine anion bullet 9Ethanol)

By formula: (Cl- bullet 8C2H6O) + C2H6O = (Cl- bullet 9C2H6O)

Quantity Value Units Method Reference Comment
Deltar9.0 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B,M
Quantity Value Units Method Reference Comment
Deltar25.cal/mol*KN/AHiraoka and Mizuse, 1987gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar1.5 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B

(Chlorine anion bullet 9Ethanol) + Ethanol = (Chlorine anion bullet 10Ethanol)

By formula: (Cl- bullet 9C2H6O) + C2H6O = (Cl- bullet 10C2H6O)

Quantity Value Units Method Reference Comment
Deltar8.9 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B,M
Quantity Value Units Method Reference Comment
Deltar25.cal/mol*KN/AHiraoka and Mizuse, 1987gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar1.4 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B

Fluorine anion + Ethanol = C2H5D6FO-

By formula: F- + C2H6O = C2H5D6FO-

Quantity Value Units Method Reference Comment
Deltar23.7 ± 2.0kcal/molIMREWilkinson, Szulejko, et al., 1992gas phase; Reported relative to ROH..F-, 0.5 kcal/mol weaker.; B

Fluorine anion + Ethanol = (Fluorine anion bullet Ethanol)

By formula: F- + C2H6O = (F- bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar32.40 ± 0.70kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar31.5 ± 2.0kcal/molIMRELarson and McMahon, 1983gas phase; B,M
Deltar32.5 ± 2.2kcal/molCIDTDeTuri and Ervin, 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar24.9cal/mol*KN/ALarson and McMahon, 1983gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Quantity Value Units Method Reference Comment
Deltar24.74kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar24.1 ± 2.0kcal/molIMRELarson and McMahon, 1983gas phase; B,M

HS- + Ethanol = (HS- bullet Ethanol)

By formula: HS- + C2H6O = (HS- bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar16.30 ± 0.10kcal/molTDAsSieck and Meot-ner, 1989gas phase; B,M
Deltar16.2 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar19.0cal/mol*KPHPMSSieck and Meot-ner, 1989gas phase; M
Deltar19.8cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar10.60 ± 0.40kcal/molTDAsSieck and Meot-ner, 1989gas phase; B
Deltar10.3 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

Iodide + Ethanol = (Iodide bullet Ethanol)

By formula: I- + C2H6O = (I- bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar13.00 ± 0.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar12.1 ± 1.0kcal/molTDAsCaldwell and Kebarle, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar18.9cal/mol*KPHPMSCaldwell and Kebarle, 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar6.11kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar6.4 ± 1.0kcal/molTDAsCaldwell and Kebarle, 1984gas phase; B
Deltar6.0 ± 2.0kcal/molIMRETanabe, Morgon, et al., 1996gas phase; Anchored to H2O..I- of Caldwell and Kebarle, 1984; B

Iodide + 2Ethanol = C4H12IO2-

By formula: I- + 2C2H6O = C4H12IO2-

Quantity Value Units Method Reference Comment
Deltar10.50 ± 0.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar4.42kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

Iodide + 3Ethanol = C6H18IO3-

By formula: I- + 3C2H6O = C6H18IO3-

Quantity Value Units Method Reference Comment
Deltar8.40 ± 0.50kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar3.51kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

Lithium ion (1+) + Ethanol = (Lithium ion (1+) bullet Ethanol)

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

Quantity Value Units Method Reference Comment
Deltar39.2 ± 1.9kcal/molCIDTRodgers and Armentrout, 2000RCD

Magnesium ion (1+) + Ethanol = (Magnesium ion (1+) bullet Ethanol)

By formula: Mg+ + C2H6O = (Mg+ bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar63. ± 5.kcal/molICROperti, Tews, et al., 1988gas phase; switching reaction,Thermochemical ladder(Mg+)CH3OH; M

Sodium ion (1+) + Ethanol = (Sodium ion (1+) bullet Ethanol)

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

Quantity Value Units Method Reference Comment
Deltar26.3 ± 1.3kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Deltar24.4 ± 0.9kcal/molCIDTArmentrout and Rodgers, 2000RCD
Deltar24.4 ± 0.9kcal/molCIDTRodgers and Armentrout, 1999RCD

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
19.0298.IMREMcMahon and Ohanessian, 2000Anchor alanine=39.89; RCD
0.00.CIDTRodgers and Armentrout, 1999RCD

(Sodium ion (1+) bullet Ethanol) + Ethanol = (Sodium ion (1+) bullet 2Ethanol)

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

Quantity Value Units Method Reference Comment
Deltar23.7 ± 1.6kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Deltar23.1 ± 1.1kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Deltar23.7 ± 1.6kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Deltar23.3 ± 1.4kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, 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

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Data compiled by: Pamela M. Chu, Franklin R. Guenther, George C. Rhoderick, and Walter J. Lafferty


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Gas Chromatography, NIST Free Links, 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

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

Mass spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

View spectrum image in SVG format.

Download spectrum in JCAMP-DX format.

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.
Origin NIST Mass Spectrometry Data Center, 1990.
NIST MS number 118507

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), NIST Free Links, 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

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillarySE-3048.463.6Golovnya, Kuz'menko, et al., 200025. m/0.32 mm/1. «mu»m, He
CapillarySE-3058.459.2Golovnya, Kuz'menko, et al., 200025. m/0.32 mm/1. «mu»m, He
CapillarySE-3066.457.4Golovnya, Kuz'menko, et al., 200025. m/0.32 mm/1. «mu»m, He
CapillarySE-3048.463.6Golovnya, Kuz'menko, et al., 2000, 225. m/0.32 mm/1. «mu»m, He
CapillarySE-3058.459.2Golovnya, Kuz'menko, et al., 2000, 225. m/0.32 mm/1. «mu»m, He
CapillarySE-3066.457.4Golovnya, Kuz'menko, et al., 2000, 225. m/0.32 mm/1. «mu»m, He
PackedPorapack Q200.415.Gawdzik and Matynia, 1994H2; Column length: 1. m
CapillarySE-30100.496.Haken and Korhonen, 1985Column length: 25. m; Column diameter: 0.33 mm; Large deviations from similar measurements
PackedApolane100.413.Castello and D'Amato, 1983He, Chromosorb G; Column length: 3. m
PackedApolane200.397.Castello and D'Amato, 1983He, Chromosorb G; Column length: 3. m
PackedSqualane100.396.Castello and D'Amato, 1983He, Chromosorb G; Column length: 3. m
PackedSqualane200.396.Castello and D'Amato, 1983He, Chromosorb G; Column length: 3. m
PackedSE-30100.427.Winskowski, 1983Gaschrom Q; Column length: 2. m
PackedSqualane50.435.Becerra, Sánchez, et al., 1982N2, Chromosorb W-AM; Column length: 6. m
CapillaryOV-160.423.Nijs and Jacobs, 1981He; Column length: 150. m; Column diameter: 0.50 mm
PackedSqualane100.437.0Gröbler and Bálizs, 1979Column length: 1. m
PackedSE-30150.427.Haken, Nguyen, et al., 1979Celatom AW silanized; Column length: 3.7 m
PackedApiezon L120.403.Bogoslovsky, Anvaer, et al., 1978Celite 545
PackedApiezon L70.400.Bogoslovsky, Anvaer, et al., 1978 
PackedSE-30100.439.Pías and Gascó, 1975Ar, Chromosorb W AW DMCS HP (80-100 mesh); Column length: 1. m
PackedApiezon L100.410.Wagaman and Smith, 1971CH4; Column length: 3. m
PackedSqualane50.422.Mira and Sanchez, 1970Chromosorb G
PackedApiezon L100.409.Brown, Chapman, et al., 1968N2, DCMS-treated Chromosorb W; Column length: 2.3 m
PackedApiezon L150.396.Brown, Chapman, et al., 1968N2, DCMS-treated Chromosorb W; Column length: 2.3 m
PackedApiezon L70.400.von Kováts, 1958Celite (40:60 Gewichtsverhaltnis)

Kovats' RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-1440.Takeoka, Flath, et al., 199060. m/0.32 mm/0.25 «mu»m, He, 30. C @ 4. min, 2. K/min; Tend: 210. C

Kovats' RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillarySPB-1414.4Castello, Timossi, et al., 1988N2; Column length: 60. m; Column diameter: 0.75 mm; Program: not specified

Kovats' RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillarySupelcowax-1060.944.Castello, Vezzani, et al., 1991N2; Column length: 60. m; Column diameter: 0.75 mm
CapillaryOV-351100.952.Haken and Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-35180.924.Haken and Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
PackedCarbowax 20M75.972.Goebel, 1982N2, Kieselgur (60-100 mesh); Column length: 2. m
PackedPEG-2000152.942.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000179.939.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedCarbowax 20M100.922.Zarazir, Chovin, et al., 1970Chromosorb W; Column length: 2. m
PackedPolyethylene Glycol 4000100.941.Bonastre and Grenier, 1968Chromosorb P; Column length: 6. m
PackedPolyethylene Glycol 4000120.931.Bonastre and Grenier, 1968Chromosorb P; Column length: 6. m
PackedPolyethylene Glycol 4000140.921.Bonastre and Grenier, 1968Chromosorb P; Column length: 6. m
PackedPolyethylene Glycol 400080.951.Bonastre and Grenier, 1968Chromosorb P; Column length: 6. m

Kovats' RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax926.Shimoda and Shibamoto, 1990He, 40. C @ 6. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 190. C
CapillaryDB-Wax925.Umano, Shoji, et al., 1986N2, 60. C @ 10. min, 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 200. C
PackedPEG-20M900.Galt and MacLeod, 1984N2, Celite, 70. C @ 9. min, 10. K/min; Column length: 5.5 m; Tend: 175. C

Kovats' RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryPEG-20M905.Slizhov and Gavrilenko, 2001He; Column length: 10. m; Column diameter: 0.2 mm; Program: not specified
CapillarySupelcowax-10940.7Castello, Timossi, et al., 1988N2; Column length: 60. m; Column diameter: 0.75 mm; Program: not specified
CapillaryCarbowax 20M933.Brander, Kepner, et al., 1980Program: not specified
CapillaryCarbowax 20M934.Brander, Kepner, et al., 1980Program: not specified

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

View large format table.

Column type Active phase I Reference Comment
CapillaryPetrocol DH443.2Censullo, Jones, et al., 200350. m/0.25 mm/0.5 «mu»m, He, 35. C @ 10. min, 3. K/min, 200. C @ 10. min
CapillaryPetrocol DH443.8Censullo, Jones, et al., 200350. m/0.25 mm/0.5 «mu»m, He, 35. C @ 10. min, 3. K/min, 200. C @ 10. min
CapillaryCP Sil 5 CB443.Pino and Marbot, 200150. m/0.32 mm/0.4 «mu»m, He, 60. C @ 10. min, 3. K/min, 280. C @ 60. min
CapillarySE-30444.7Golovnya, Kuz'menko, et al., 200025. m/0.32 mm/1. «mu»m, He, 4. K/min; Tstart: 60. C
CapillarySE-30444.7Golovnya, Kuz'menko, et al., 2000, 225. m/0.32 mm/1. «mu»m, He, 4. K/min; Tstart: 60. C
CapillaryDB-1436.Bartelt, 199730. m/0.32 mm/5. «mu»m, He, 35. C @ 1. min, 10. K/min; Tend: 270. C
CapillaryDB-1446.Peng, 199215. m/0.53 mm/1. «mu»m, 40. C @ 4. min, 8. K/min; Tend: 250. C
CapillarySE-30416.Korhonen, 1985N2, 10. K/min; Column length: 25. m; Column diameter: 0.33 mm; Tstart: 100. C
CapillarySE-30432.Korhonen, 1985N2, 6. K/min; Column length: 25. m; Column diameter: 0.33 mm; Tstart: 100. C

Van Den Dool and Kratz RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryMethyl Silicone446.Peng, Yang, et al., 1991Program: not specified
PackedSE-30446.Peng, Ding, et al., 1988Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min)

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-FFAP939.Jarunrattanasri, Theerakulkait, et al., 200730. m/0.25 mm/0.5 «mu»m, He, 35. C @ 5. min, 4. K/min, 225. C @ 30. min
CapillaryDB-Wax937.Mahattanatawee K., Perez-Cacho P.R., et al., 200730. m/0.32 mm/0.5 «mu»m, He, 7. K/min, 240. C @ 5. min; Tstart: 40. C
CapillaryDB-Wax933.Gurbuz O., Rouseff J.M., et al., 200660. m/0.25 mm/0.25 «mu»m, He, 7. K/min, 265. C @ 5. min; Tstart: 40. C
CapillaryDB-Wax941.Gurbuz O., Rouseff J.M., et al., 200630. m/0.32 mm/0.5 «mu»m, He, 7. K/min, 265. C @ 5. min; Tstart: 40. C
CapillaryCP-Wax 52CB934.Kourkoutas, Elmore, et al., 200660. m/0.25 mm/0.25 «mu»m, He, 4. K/min; Tstart: 40. C; Tend: 250. C
CapillarySupelcowax-10888.Chung, Fung, et al., 200560. m/0.25 mm/0.25 «mu»m, 35. C @ 5. min, 6. K/min, 195. C @ 60. min
CapillaryDB-Wax947.Malliaa, Fernandez-Garcia, et al., 200560. m/0.32 mm/1. «mu»m, He, 45. C @ 1. min, 5. K/min, 250. C @ 12. min
CapillaryDB-Wax955.Malliaa, Fernandez-Garcia, et al., 200560. m/0.32 mm/1. «mu»m, He, 45. C @ 1. min, 5. K/min, 250. C @ 12. min
CapillaryDB-Wax900.Brat, Rega, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 3. K/min, 250. C @ 20. min; Tstart: 40. C
CapillaryCarbowax948.8Censullo, Jones, et al., 200360. m/0.25 mm/0.5 «mu»m, He, 50. C @ 10. min, 5. K/min, 250. C @ 10. min
CapillaryDB-Wax935.Cha, Kim, et al., 199860. m/0.25 mm/0.25 «mu»m, 40. C @ 5. min, 3. K/min, 200. C @ 60. min
CapillaryDB-Wax930.Cha, Kim, et al., 199830. m/0.32 mm/0.25 «mu»m, He, 40. C @ 5. min, 6. K/min, 200. C @ 30. min
CapillaryFFAP956.Ott, Fay, et al., 199730. m/0.25 mm/0.25 «mu»m, He, 20. C @ 1. min, 4. K/min, 200. C @ 1. min
CapillaryDB-Wax932.Shimoda, Shiratsuchi, et al., 199660. m/0.25 mm/0.25 «mu»m, He, 2. K/min, 230. C @ 60. min; Tstart: 50. C
CapillaryDB-Wax925.Shimoda, Shigematsu, et al., 199560. m/0.25 mm/0.25 «mu»m, 2. K/min; Tstart: 50. C; Tend: 230. C
CapillaryDB-Wax944.Iwaoka, Hagi, et al., 1994He, 40. C @ 5. min, 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 200. C
CapillaryDB-Wax947.Shiratsuchi, Shimoda, et al., 199460. m/0.25 mm/0.25 «mu»m, 2. K/min, 230. C @ 60. min; Tstart: 50. C
CapillaryDB-Wax947.Shiratsuchi, Shimoda, et al., 1994, 260. m/0.25 mm/0.25 «mu»m, He, 2. K/min, 230. C @ 60. min; Tstart: 50. C
CapillaryHP-20M929.Chung, Eiserich, et al., 1993He, 3. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 190. C
CapillaryHP-FFAP936.Chung, Eiserich, et al., 1993He, 3. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 210. C
CapillaryDB-Wax930.Shiratsuchi, Shimoda, et al., 199360. m/0.25 mm/0.25 «mu»m, 50. C @ 4. min, 2. K/min, 230. C @ 30. min
CapillaryDB-Wax930.Shiratsuchi, Shimoda, et al., 199360. m/0.25 mm/0.25 «mu»m, 50. C @ 4. min, 2. K/min, 230. C @ 30. min
CapillaryCarbowax 20M944.Peng, 19928. K/min, 200. C @ 60. min; Column length: 3.05 m; Tstart: 40. C
CapillaryDB-Wax938.Stashenko, Macku, et al., 1992He, 35. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 180. C
PackedCarbowax 20M944.Peng, Yang, et al., 1991Supelcoport, 40. C @ 4. min, 8. K/min; Column length: 3.05 m; Tend: 200. C
CapillaryCarbowax 20M929.Chen, Kuo, et al., 1986He, 50. C @ 5. min, 2. K/min, 200. C @ 40. min; Column length: 50. m; Column diameter: 0.32 mm
CapillaryOV-351893.Korhonen, 1985N2, 10. K/min; Column length: 25. m; Column diameter: 0.33 mm; Tstart: 100. C
CapillaryOV-351920.Korhonen, 1985N2, 2. K/min; Column length: 25. m; Column diameter: 0.33 mm; Tstart: 100. C
CapillaryOV-351918.Korhonen, 1985N2, 6. K/min; Column length: 25. m; Column diameter: 0.33 mm; Tstart: 100. C
CapillaryCarbowax 20M908.Chen, Kuo, et al., 1982He, 50. C @ 10. min, 1. K/min; Tend: 160. C
PackedCarbowax 20M897.van den Dool and Kratz, 1963Celite 545, 4.6 K/min; Tstart: 75. C; Tend: 228. C

Van Den Dool and Kratz RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillarySupelcowax-10934.Bianchi, Cantoni, et al., 200730. m/0.25 mm/0.25 «mu»m; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 220C(1min)
CapillarySupelcowax-10932.Bianchi, Careri, et al., 200730. m/0.25 mm/0.25 «mu»m, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)
CapillarySupelcowax-10934.Bianchi, Careri, et al., 200730. m/0.25 mm/0.25 «mu»m, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)
CapillarySupelcowax-10937.Bianchi, Careri, et al., 200730. m/0.25 mm/0.25 «mu»m, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)
CapillarySupelcowax-10937.Bianchi, Careri, et al., 200730. m/0.25 mm/0.25 «mu»m, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)
CapillaryFFAP945.Ranau and Steinhart, 200560. m/0.25 mm/0.5 «mu»m, He; Program: 50C(3min) => 3C/min => 100C => 10C/min => 220C (13.5min)
CapillaryDB-Wax944.Radovic, Careri, et al., 200130. m/0.25 mm/0.25 «mu»m; Program: 30C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)
CapillaryDB-Wax960.1Yang, Chyau, et al., 1998He; Column length: 50. m; Column diameter: 0.32 mm; Program: 50C => 2.5C/min => 150C => 1.5C/min => 210C
CapillaryFFAP935.Yasuhara, 198750. m/0.25 mm/0.25 «mu»m, He; Program: 20C (5min) => 2C/min => 70C => 4C/min => 210C
CapillaryCarbowax 20M910.Whitfield, Shea, et al., 1981Column length: 150. m; Column diameter: 0.75 mm; Program: not specified

Normal alkane RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillarySE-30100.427.Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30120.411.Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30140.415.Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30160.411.Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30180.406.Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-3080.443.Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.33 mm
PackedSynachrom150.410.Dufka, Malinsky, et al., 1971Helium, Synachrom (60-80 mesh); Column length: 1.5 m
PackedSynachrom150.412.Dufka, Malinsky, et al., 1971Helium, Synachrom (60-80 mesh); Column length: 1.5 m
PackedSqualane100.408.Vernon, 1971N2
PackedDC-400150.462.Anderson, 1968Helium, Gas-Pak (60-80 mesh); Column length: 3.0 m
PackedSqualane125.405.Cremer and Nonn, 1964H2, Chromosorb W (80-100 mesh); Column length: 3. m

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
PackedSE-30421.MHA, 9999Nitrogen, Chromosorb G AW DMCS (80-100 mesh); Column length: 2. m; Tstart: 100. C; Tend: 300. C
CapillaryPolydimethyl siloxane: CP-Sil 5 CB458.Bramston-Cook, 201360. m/0.25 mm/1.0 «mu»m, Helium, 45. C @ 1.45 min, 3.6 K/min, 210. C @ 2.72 min
CapillaryPetrocol DH454.Supelco, 2012100. m/0.25 mm/0.50 «mu»m, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min
CapillaryDB-5459.Cais-Sokolinska, Majcher, et al., 201125. m/0.20 mm/0.33 «mu»m, Helium, 50. C @ 1. min, 20. K/min; Tend: 240. C
CapillaryVF-5 MS426.Leffingwell and Alford, 201160. m/0.32 mm/0.25 «mu»m, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C
CapillaryVF-5 MS429.Leffingwell and Alford, 201160. m/0.32 mm/0.25 «mu»m, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C
CapillaryRTX-5477.Berdague, Tournayre, et al., 200760. m/0.32 mm/1. «mu»m, 40. C @ 5. min, 4. K/min, 205. C @ 5. min
Capillary5 % Phenyl methyl siloxane482.Ramirez R. and Cava R., 200730. m/0.25 mm/1. «mu»m, He, 40. C @ 10. min, 7. K/min, 250. C @ 5. min
CapillarySPB-5444.Vasta, Ratel, et al., 200760. m/0.32 mm/1. «mu»m, 40. C @ 5. min, 3. K/min, 230. C @ 5. min
CapillaryHP-1440.Castel, Fernandez, et al., 200650. m/0.2 mm/0.33 «mu»m, He, 60. C @ 4. min, 2. K/min, 250. C @ 30. min
CapillaryHP-5445.Isidorov, Purzynska, et al., 200630. m/0.25 mm/0.25 «mu»m, He, 35. C @ 5. min, 3. K/min; Tend: 200. C
CapillaryHP-5427.0Leffingwell and Alford, 200560. m/0.32 mm/0.25 «mu»m, He, 30. C @ 2. min, 2. K/min, 260. C @ 28. min
CapillaryRSL-200440.Ngassoum, Jirovetz, et al., 200130. m/0.32 mm/0.25 «mu»m, H2, 40. C @ 5. min, 6. K/min, 280. C @ 5. min
CapillaryBP-1450.Health Safety Executive, 200050. m/0.22 mm/0.75 «mu»m, He, 5. K/min; Tstart: 50. C; Tend: 200. C
CapillaryDB-5MS427.4Shoenmakers, Oomen, et al., 200030. m/0.25 mm/0.25 «mu»m, He, 40. C @ 1. min, 3. K/min; Tend: 250. C
CapillaryHP-5450.Jung, Wichmann, et al., 199925. m/0.20 mm/0.33 «mu»m, 50. C @ 3. min, 5. K/min; Tend: 180. C
CapillaryDB-1440.Buttery, Ling, et al., 199730. C @ 25. min, 4. K/min, 200. C @ 20. min; Column length: 60. m; Column diameter: 0.25 mm
CapillaryDB-1436.Robacker and Bartelt, 199730. m/0.32 mm/0.5 «mu»m, He, 35. C @ 1. min, 10. K/min; Tend: 200. C
CapillaryDB-1440.Hansen, Buttery, et al., 199230. C @ 25. min, 4. K/min, 200. C @ 20. min; Column length: 60. m; Column diameter: 0.32 mm

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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5 MS448.Kotowska, Zalikowski, et al., 201230. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryDB-5489.Miyazaki, Plotto, et al., 201160. m/0.25 mm/1.00 «mu»m, Helium; Program: 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min)
CapillaryHP-1472.Barra, Baldovini, et al., 200750. m/0.2 mm/0.33 «mu»m, He; Program: 40C(2min) => 2C/min => 200C => 15C/min => 250C (30min)
CapillaryMethyl Silicone493.Chen and Feng, 2007Program: not specified
CapillaryVB-5472.Karlshøj, Nielsen, et al., 200760. m/0.25 mm/1. «mu»m, He; Program: 35C(1min) => 4C/min => 175C => 10C/min => 260C
CapillaryMethyl Silicone493.Kou, Zhang, et al., 2006Program: not specified
CapillaryMethyl Silicone462.Blunden, Aneja, et al., 200560. m/0.32 mm/1.0 «mu»m, Helium; Program: -50 0C (2 min) 8 0C/min -> 200 0C (7.75 min) 25 0C -> 225 0C (8 min)
CapillaryHP-5482.Thierry, Maillard, et al., 200560. m/0.32 mm/1. «mu»m; Program: not specified
CapillaryMethyl Silicone439.Fu and Wang, 2004Program: not specified
CapillarySE-30440.Vinogradov, 2004Program: not specified
CapillaryMethyl Silicone455.N/AProgram: not specified
CapillaryMethyl Silicone443.Zenkevich, 1999Program: not specified
CapillarySPB-1427.Flanagan, Streete, et al., 199760. m/0.53 mm/5. «mu»m, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
CapillaryPolydimethyl siloxanes443.Zenkevich and Chupalov, 1996Program: not specified
CapillaryMethyl Silicone443.Zenkevich, Korolenko, et al., 1995Program: not specified
CapillaryDB-1428.Schuberth, 199430. m/0.25 mm/1. «mu»m, He; Program: 40C (4min) => 10C/min => 200C => 50C/min => 250C
CapillarySPB-1427.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 «mu»m, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C
CapillarySPB-1421.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 «mu»m, Helium; Program: not specified
CapillaryCP Sil 8 CB446.Weller and Wolf, 198940. m/0.25 mm/0.25 «mu»m, He; Program: 30 0C (1 min) 15 0C/min -> 45 0C 3 0C/min -> 120 0C
CapillaryDB-1440.Takeoka, Flath, et al., 198830. m/0.25 mm/0.25 «mu»m, H2; Program: 30C (2min) => 2C/min => 150C => 4C/min => 250C
CapillaryOV-1421.Ramsey and Flanagan, 1982Program: not specified

Normal alkane RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryCarbowax 20M100.926.Sun, Siepmann, et al., 200630. m/0.25 mm/0.25 «mu»m, Helium
CapillaryCarbowax 20M60.936.Sun, Siepmann, et al., 200630. m/0.25 mm/0.25 «mu»m, Helium
CapillaryCarbowax 20M80.932.Sun, Siepmann, et al., 200630. m/0.25 mm/0.25 «mu»m, Helium
CapillaryOV-351100.927.Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.33 mm
CapillaryOV-351120.910.Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.33 mm
CapillaryOV-351140.890.Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.33 mm
PackedCarbowax 20M100.917.Yabumoto, Jennings, et al., 1977 

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-FFAP944.Wanakhachornkrai and Lertsiri, 999925. m/0.32 mm/0.50 «mu»m, Helium, 15. K/min; Tstart: 45. C; Tend: 220. C
CapillaryFFAP883.Budryn, Nebesny, et al., 201130. m/0.32 mm/0.50 «mu»m, Nitrogen, 35. C @ 5. min, 4. K/min, 250. C @ 45. min
CapillaryHP-Innowax939.Feng, Zhuang, et al., 201160. m/0.25 mm/0.25 «mu»m, Helium, 60. C @ 1. min, 3. K/min, 220. C @ 5. min
CapillaryHP-FFAP913.Guzman-Geronimo, Lopez, et al., 200830. m/0.25 mm/0.25 «mu»m, Helium, 40. C @ 3. min, 3. K/min, 120. C @ 5. min
CapillaryFFAP883.Nebesny, Budryn, et al., 200730. m/0.32 mm/0.5 «mu»m, N2, 35. C @ 5. min, 4. K/min, 320. C @ 45. min
CapillaryCP-Wax 52CB938.Povolo, Contarini, et al., 200760. m/0.32 mm/0.5 «mu»m, He, 40. C @ 8. min, 4. K/min, 220. C @ 20. min
CapillaryCP-Wax 52CB938.Povolo, Contarini, et al., 200760. m/0.32 mm/0.5 «mu»m, He, 40. C @ 8. min, 4. K/min, 220. C @ 20. min
CapillaryTR-WAX932.Tena N., Lazzez A., et al., 200760. m/0.25 mm/0.25 «mu»m, H2, 40. C @ 10. min, 3. K/min, 200. C @ 10. min
CapillaryDB-Wax937.Wei A. and Shibamoto T., 200760. m/0.25 mm/0.25 «mu»m, He, 60. C @ 8. min, 3. K/min, 180. C @ 80. min
CapillaryCarbowax 20M928.de la Fuente, Martinez-Castro, et al., 200550. m/0.25 mm/0.25 «mu»m, Helium, 40. C @ 2. min, 4. K/min, 190. C @ 30. min
CapillaryStabilwax922.Jirovetz, Buchbauer, et al., 200530. m/0.32 mm/0.5 «mu»m, H2, 40. C @ 5. min, 6. K/min, 280. C @ 5. min
CapillaryStabilwax922.Jirovetz, Buchbauer, et al., 2005, 230. m/0.32 mm/0.5 «mu»m, 40. C @ 5. min, 6. K/min, 280. C @ 5. min
CapillaryDB-Wax930.Njoroge, Koaze, et al., 200560. m/0.25 mm/0.25 «mu»m, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
CapillaryDB-Wax955.Qian and Wang, 200560. m/0.32 mm/0.50 «mu»m, Nitrogen, 35. C @ 4. min, 2. K/min, 235. C @ 30. min
CapillaryDB-Wax900.Rizzolo, Cambiaghi, et al., 200560. m/0.53 mm/1. «mu»m, 50. C @ 10. min, 3. K/min; Tend: 180. C
CapillaryDB-Wax942.Chida, Sone, et al., 200460. m/0.25 mm/0.5 «mu»m, 35. C @ 5. min, 4. K/min, 240. C @ 10. min
CapillaryHP-FFAP913.López, Guzmán, et al., 200430. m/0.25 mm/0.25 «mu»m, He, 40. C @ 5. min, 5. K/min, 120. C @ 3. min
CapillaryPEG-20M926.Narain, Almeida, et al., 200450. m/0.20 mm/0.20 «mu»m, 40. C @ 5. min, 3. K/min, 180. C @ 30. min
CapillaryPEG-20M930.Narain, Almeida, et al., 200450. m/0.20 mm/0.20 «mu»m, 40. C @ 5. min, 3. K/min, 180. C @ 30. min
CapillaryDB-Wax946.Alves and Franco, 200330. m/0.25 mm/0.5 «mu»m, H2, 50. C @ 10. min, 3. K/min, 200. C @ 10. min
CapillaryDB-Wax934.Tanaka, Yamauchi, et al., 200330. m/0.25 mm/0.25 «mu»m, 30. C @ 1. min, 4. K/min; Tend: 250. C
CapillaryDB-Wax934.Tanaka, Yamauchi, et al., 200330. m/0.25 mm/0.25 «mu»m, 30. C @ 1. min, 4. K/min; Tend: 250. C
CapillarySupelcowax-10932.Vichi, Castellote, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 40. C @ 10. min, 3. K/min; Tend: 200. C
CapillarySupelcowax-10926.Vichi, Pizzale, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 40. C @ 10. min, 3. K/min; Tend: 200. C
CapillarySupelcowax-10927.Vichi, Pizzale, et al., 2003, 230. m/0.25 mm/0.25 «mu»m, He, 40. C @ 10. min, 3. K/min; Tend: 200. C
CapillaryHP-FFAP944.Wanakhachornkrai and Lertsiri, 200325. m/0.32 mm/0.5 «mu»m, He, 15. K/min; Tstart: 45. C; Tend: 220. C
CapillaryDB-Wax937.Fu, Yoon, et al., 200230. m/0.25 mm/0.25 «mu»m, He, 40. C @ 5. min, 8. K/min, 250. C @ 5. min
CapillaryDB-Wax934.Hayata, Sakamoto, et al., 200260. m/0.25 mm/0.25 «mu»m, He, 40. C @ 10. min, 3. K/min, 220. C @ 10. min
CapillaryDB-Wax931.Ito, Sugimoto, et al., 200260. C @ 4. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 180. C
CapillaryFFAP924.Lecanu, Ducruet, et al., 200230. m/0.32 mm/1. «mu»m, He, 35. C @ 3. min, 5. K/min; Tend: 240. C
CapillaryHP-FFAP924.Qian and Reineccius, 200225. m/0.32 mm/0.52 «mu»m, 60. C @ 1. min, 5. K/min, 240. C @ 5. min
CapillaryHP-Wax913.Sanz, Maeztu, et al., 200260. m/0.25 mm/0.5 «mu»m, He, 40. C @ 6. min, 3. K/min; Tend: 190. C
CapillaryDB-Wax926.Umano, Hagi, et al., 200260. m/0.25 mm/0.25 «mu»m, He, 40. C @ 2. min, 2. K/min; Tend: 200. C
CapillaryHP-Wax913.Maeztu, Sanz, et al., 200160. m/0.25 mm/0.5 «mu»m, He, 40. C @ 6. min, 3. K/min; Tend: 190. C
CapillaryHP-Wax913.Sanz, Ansorena, et al., 200160. m/0.25 mm/0.5 «mu»m, He, 40. C @ 6. min, 3. K/min; Tend: 190. C
CapillaryDB-Wax934.Wei, Mura, et al., 200160. m/0.25 mm/0.25 «mu»m, He, 2. K/min; Tstart: 40. C; Tend: 200. C
CapillaryDB-Wax940.Tamura, Boonbumrung, et al., 2000Nitrogen, 40. C @ 10. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C
CapillaryCP-Wax 52CB900.Hwan and Chou, 199950. m/0.32 mm/0.22 «mu»m, H2, 60. C @ 4. min, 2. K/min, 190. C @ 21. min
CapillarySupelcowax-10908.Campeanu, Burcea, et al., 199860. m/0.32 mm/0.5 «mu»m, H2, 35. C @ 5. min, 5. K/min, 250. C @ 20. min
CapillaryInnowax950.Petersen, Poll, et al., 199830. m/0.25 mm/0.25 «mu»m, 40. C @ 10. min, 6. K/min, 240. C @ 25. min
CapillaryDB-Wax922.Sekiwa, Kubota, et al., 1997He, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 180. C
CapillaryDB-Wax959.Wada and Shibamoto, 1997He, 3. K/min, 200. C @ 40. min; Column length: 60. m; Column diameter: 0.25 mm; Tstart: 50. C
CapillaryPEG-20M921.Kubota, Matsujage, et al., 199650. m/0.25 mm/0.25 «mu»m, Nitrogen, 2. K/min; Tstart: 60. C; Tend: 180. C
CapillaryTC-Wax913.Shuichi, Masazumi, et al., 199680. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 240. C
CapillaryDB-Wax946.Young, Gilbert, et al., 199630. m/0.32 mm/0.50 «mu»m, Hydrogen, 30. C @ 6. min, 3. K/min; Tend: 190. C
CapillaryDB-Wax932.Umano, Hagi, et al., 1995He, 40. C @ 2. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C
CapillaryCarbowax 20M925.Kawakami, Kobayashi, et al., 1993He, 60. C @ 4. min, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tend: 180. C
CapillaryDB-Wax930.Shimoda, Shiratsuchi, et al., 199360. m/0.25 mm/0.25 «mu»m, He, 50. C @ 4. min, 2. K/min; Tend: 230. C
CapillaryDB-Wax930.Shimoda, Shiratsuchi, et al., 199360. m/0.25 mm/0.25 «mu»m, He, 50. C @ 4. min, 2. K/min; Tend: 230. C
CapillaryCarbowax 20M925.Kawakami and Kobayashi, 1991He, 60. C @ 4. min, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tend: 180. C
CapillaryPEG-20M915.Kubota, Nakamoto, et al., 1991N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 180. C
CapillaryCarbowax 20M900.Anker, Jurs, et al., 19902. K/min; Column length: 80. m; Column diameter: 0.2 mm; Tstart: 70. C; Tend: 170. C
CapillaryDB-Wax927.Takeoka and Butter, 198960. m/0.32 mm/0.25 «mu»m, He, 30. C @ 4. min, 2. K/min; Tend: 180. C
CapillaryDB-Wax927.Takeoka and Butter, 198960. m/0.32 mm/0.25 «mu»m, He, 30. C @ 4. min, 2. K/min; Tend: 180. C
CapillaryDB-Wax927.Takeoka and Butter, 198960. m/0.32 mm/0.25 «mu»m, He, 30. C @ 4. min, 2. K/min; Tend: 180. C
CapillaryDB-Wax936.Takeoka and Butter, 198960. m/0.32 mm/0.25 «mu»m, He, 30. C @ 4. min, 2. K/min; Tend: 180. C
CapillaryDB-Wax940.Takeoka and Butter, 198960. m/0.32 mm/0.25 «mu»m, He, 30. C @ 4. min, 2. K/min; Tend: 180. C
CapillaryDB-Wax940.Takeoka and Butter, 198960. m/0.32 mm/0.25 «mu»m, He, 30. C @ 4. min, 2. K/min; Tend: 180. C
CapillaryFFAP900.Vernin, Metzger, et al., 1988He, 60. C @ 5. min, 2. K/min; Column length: 50. m; Column diameter: 0.28 mm; Tend: 240. C
CapillaryBP-20900.MacLeod and Snyder, 198570. C @ 5. min, 3. K/min; Column length: 25. m; Column diameter: 0.2 mm; Tend: 180. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax923.Gyawali and Kim, 201260. m/0.20 mm/0.25 «mu»m, Helium; Program: 40 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 220 0C (20 min) 5 0C/min -> 230 0C
CapillaryCarbowax 20M951.Lee, Chong, et al., 2012Program: not specified
CapillaryHP-Innowax942.Feng, Zhuang, et al., 201160. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryDB-Wax929.Miyazaki, Plotto, et al., 201160. m/0.25 mm/0.50 «mu»m, Helium; Program: 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min)
CapillaryCP-Wax 52 CB939.Povolo, Cabassi, et al., 2011Program: not specified
CapillaryHP-Innowax943.Cajka, Riddellova, et al., 201030. m/0.25 mm/0.25 «mu»m, Helium; Program: 45 0C (1 min) 5 oC/min -> 170 0C 10 0C/min -> 260 0C (1 min)
CapillarySupelko CO Wax935.Vekiari, Orepoulou, et al., 201060. m/0.32 mm/0.25 «mu»m, Helium; Program: 40 0C (5 min) 4 0C/min -> 75 0C 5 0C/min -> 250 0C (10 min)
CapillarySupelko CO Wax932.Vekiari, Orepoulou, et al., 201060. m/0.32 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryDB-Wax923.Gyawali and Kim, 200960. m/0.25 mm/0.25 «mu»m, Helium; Program: 40 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 220 0C (20 min)
CapillaryFFAP912.Ortiz, Echeverra, et al., 200950. m/0.20 mm/0.33 «mu»m, Helium; Program: 70 0C (1 min) 3 0C/min -> 142 0C 5 0C/min -> 225 0C (10 min)
CapillarySupelcowax 10928.Soria, Martinez-Castro, et al., 200850. m/0.25 mm/0.25 «mu»m, Helium; Program: 45 0C (15 min) 3 0C/min -> 75 0C 5 0C/min -> 180 0C (10 min)
CapillaryPEG 20M910.Zhang, Zhang, et al., 200830. m/0.25 mm/0.25 «mu»m, Helium; Program: 40 0C (3 min) 5 0C/min -> 60 0C 6 0C/min -> 130 0C 10 0C/min -> 230 0C
CapillarySupelcowax-10932.Berard, Bianchi, et al., 200730. m/0.25 mm/0.25 «mu»m, He; Program: 35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min)
CapillarySupelcowax-10937.Berard, Bianchi, et al., 200730. m/0.25 mm/0.25 «mu»m, He; Program: 35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min)
CapillaryCarbowax 20M924.Dury-Brun, Fournier, et al., 2007Program: not specified
CapillaryDB-Wax934.Gonzalez-Rios, Suarez-Quiroz, et al., 200730. m/0.25 mm/0.25 «mu»m, Hydrogen; Program: 44 0C 3 0C/min -> 170 0C 8 0C/min -> 250 0C
CapillaryDB-Wax929.Gonzalez-Rios, Suarez-Quiroz, et al., 200730. m/0.25 mm/0.25 «mu»m, Hydrogen; Program: not specified
CapillaryFFAP932.Lara, Echeverría, et al., 200750. m/0.2 mm/0.33 «mu»m, He; Program: 70C(1min) => 3C/min => 142C => 5C/min => 225C (10min)
CapillaryHP-Innowax930.Narain, Galvao, et al., 200730. m/0.25 mm/0.25 «mu»m, Helium; Program: 30 0C (5 min) 5 0C/min -> 100 0C (5 min) 1 0C/min -> 130 0C 10 0C/min -> 195 0C (45 min)
CapillaryBP-20929.Pontes, Marques, et al., 200730. m/0.25 mm/0.25 «mu»m, He; Program: 50C(1min) => 2.5C/min => 100C => 2C/min => 180C => 15C/min => 220C
CapillaryBP-20929.Pontes, Marques, et al., 200730. m/0.25 mm/0.25 «mu»m, He; Program: 50C(1min) => 2.5C/min => 100C => 2C/min => 180C => 15C/min => 220C
CapillaryPEG-20M910.Zhang C., Zhang H., et al., 200730. m/0.25 mm/0.25 «mu»m; Program: 40C(3min) => 5C/min => 60C => 6C/min => 130C => 10C/min => 230C (10min)
CapillaryDB-Wax927.Gyawalia, Seo, et al., 200660. m/0.2 mm/0.25 «mu»m, He; Program: 40C(3min) => 2C/min => 150C => 4C/min => 220C(20min) => 5C/min => 230C
CapillarySupelcowax-10905.Kourkoutas, Bosnea, et al., 200660. m/0.32 mm/0.25 «mu»m, He; Program: 35C(3min) => 5C/min => 110C => 10C/min => 240C (10min)
CapillarySupelcowax-10905.Kourkoutas, Kandylis, et al., 200660. m/0.32 mm/0.25 «mu»m, He; Program: 35C(3min) => 5C/min => 110C => 10C/min => 240C (10min)
CapillaryFFAP932.Lara, Graell, et al., 200650. m/0.2 mm/0.33 «mu»m, He; Program: 70C(1min) => 3C/min => 142C => 5C/min => 225C(10min)
CapillaryDB-Wax916.Mattheis, Fan, et al., 200560. m/0.25 mm/0.25 «mu»m, He; Program: 35C(5min) => 2C/min => 50C => 5C/min => 200C (5min)
CapillaryDB-FFAP930.Buettner, 200430. m/0.32 mm/0.25 «mu»m, He; Program: 40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C (10min)
CapillaryFFAP932.Echeverría, Correa, et al., 200450. m/0.2 mm/0.33 «mu»m, He; Program: 70C(1min) => 3C/min => 142C => 5C/min => 225C(10min)
CapillaryDB-Wax941.Kim. J.H., Ahn, et al., 200460. m/0.25 mm/0.25 «mu»m, Helium; Program: 60 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 200 0C
CapillaryCarbowax 20M922.Vinogradov, 2004Program: not specified
CapillaryCarbowax 20M940.Vinogradov, 2004Program: not specified
CapillaryHP-FFAP932.Echeverria, Fuentes, et al., 200350. m/0.2 mm/0.33 «mu»m, He; Program: 70C(1min) => 3C/min => 142C => 5C/min => 225C (10min)
CapillaryFFAP936.Lopez, Lavilla, et al., 200050. m/0.2 mm/0.33 «mu»m, N2; Program: 70C(1min) => 3C/min => 142C(2min) => 25C/min => 230C(5min)
CapillaryCross-linked FFAP936.Lavilla, Puy, et al., 199950. m/0.2 mm/0.33 «mu»m, N2; Program: 70C(1min) => 3C/min => 142C (2min) => 25C/min => 230C(5min)
CapillarySupelcowax-10950.Forney and Jordan, 199860. m/0.53 mm/1. «mu»m, He; Program: 40C (2min) => 16C/min => 120C => 15C/min => 240C(3min)
CapillaryCP-Wax 52CB926.Jakobsen, Hansen, et al., 199850. m/0.25 mm/0.2 «mu»m, He; Program: 30C (1.5min) => 3C/min => 120C => 10C/min => 220C (3.5min)
CapillaryFFAP936.López, Lavilla, et al., 199850. m/0.2 mm/0.33 «mu»m, N2; Program: 70C (1min) => 3C/min => 142C (2min) => 25C/min => 230C (5min)
CapillaryPolyethylene Glycol925.Zenkevich, Korolenko, et al., 1995Program: not specified
CapillaryDB-Wax934.Mattheis, Buchanan, et al., 199260. m/0.25 mm/0.25 «mu»m, He; Program: 35C (5min) => 2C/min => 50C => 5C/min => 200C(5min)
CapillaryDB-Wax934.Mattheis, Buchanan, et al., 199260. m/0.25 mm/0.25 «mu»m, He; Program: 35C (5min) => 2C/min => 50C => 5C/min => 200C(5min)
CapillaryDB-Wax944.Peng, Yang, et al., 1991, 2Program: not specified
CapillaryCarbowax 20M900.Shibamoto, 1987Program: not specified
CapillaryCarbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.940.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryCarbowax 20M919.Ramsey and Flanagan, 1982Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, Notes

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

Rossini, 1932
Rossini, F.D., The heats of combustion of methyl and ethyl alcohols, J. Res. NBS, 1932, 8, 119-139. [all data]

Thermodynamics Research Center, 1997
Thermodynamics Research Center, Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]

Zhuravlev E.Z., 1959
Zhuravlev E.Z., Isotopic effect on thermodynamic functions of some organic deuterocompounds in the ideal gas state, Tr. Khim. i Khim. Tekhnol., 1959, 2, 475-485. [all data]

Chermin H.A.G., 1961
Chermin H.A.G., Thermo data for petrochemicals. Part 28. Gaseous normal alcohols. The important thermo properties are presented for all the gaseous normal alcohols from methanol through n-decanol, Petrol. Refiner, 1961, 40 (4), 127-130. [all data]

Green J.H.S., 1961
Green J.H.S., Thermodynamic properties of organic oxygen compounds. Part 5. Ethyl alcohol, Trans. Faraday Soc., 1961, 57, 2132-2137. [all data]

Green J.H.S., 1961, 2
Green J.H.S., Thermodynamic properties of the normal alcohols C1-C12, J. Appl. Chem., 1961, 11, 397-404. [all data]

Chao J., 1986
Chao J., Ideal gas thermodynamic properties of simple alkanols, Int. J. Thermophys., 1986, 7, 431-442. [all data]

Gurvich, Veyts, et al., 1989
Gurvich, L.V.; Veyts, I.V.; Alcock, C.B., Thermodynamic Properties of Individual Substances, 4th ed.; Vols. 1 and 2, Hemisphere, New York, 1989. [all data]

Chao J., 1986, 2
Chao J., Thermodynamic properties of key organic oxygen compounds in the carbon range C1 to C4. Part 2. Ideal gas properties, J. Phys. Chem. Ref. Data, 1986, 15, 1369-1436. [all data]

Stromsoe E., 1970
Stromsoe E., Heat capacity of alcohol vapors at atmospheric pressure, J. Chem. Eng. Data, 1970, 15, 286-290. [all data]

Bennewitz K., 1938
Bennewitz K., Molar heats of vapor organic compounds, Z. Phys. Chem. (Leipzig), 1938, B39, 126-144. [all data]

Eucken A., 1948
Eucken A., Rotational hindrance in ether and alcohol molecules on the basis of heat capacity determinations, Z. Elektrochem., 1948, 52, 195-204. [all data]

Barrow G.M., 1952
Barrow G.M., Heat capacity, gas imperfection, infrared spectra, and internal rotation barriers of ethyl alcohol, J. Chem. Phys., 1952, 20, 1739-1744. [all data]

Sinke G.C., 1953
Sinke G.C., The heat capacity of organic vapors. VIII. Data for some aliphatic alcohols using an improved flow calorimeter requiring only 25 ml of sample, J. Am. Chem. Soc., 1953, 75, 1815-1818. [all data]

Halford J.O., 1957
Halford J.O., Standard heat capacities of gaseous methanol, ethanol, methane and ethane at 279 K by thermal conductivity, J. Phys. Chem., 1957, 61, 1536-1539. [all data]

Counsell J.F., 1970
Counsell J.F., Thermodynamic properties of organic oxygen compounds. 24. Vapor heat capacities and enthalpies of vaporization of ethanol, 2-methyl-1-propanol, and 1-pentanol, J. Chem. Thermodyn., 1970, 2, 367-372. [all data]

Chao and Rossini, 1965
Chao, J.; Rossini, F.D., Heats of combustion, formation, and isomerization of nineteen alkanols, J. Chem. Eng. Data, 1965, 10, 374-379. [all data]

Rossini, 1934
Rossini, F.D., Heats of combustion and of formation of the normal aliphatic alcohols in the gaseous and liquid states, and the energies of their atomic linkages, J. Res. NBS, 1934, 13, 189-197. [all data]

Green, 1960
Green, J.H.S., Revision of the values of the heats of formation of normal alcohols, Chem. Ind. (London), 1960, 1215-1216. [all data]

Parks, 1925
Parks, G.S., Thermal data on organic compounds I. The heat capacities and free energies of methyl, ethyl and normal-butyl alcohols, J. Am. Chem. Soc., 1925, 47, 338-345. [all data]

Richards and Davis, 1920
Richards, T.W.; Davis, H.S., The heats of combustion of benzene, toluene, aliphatic alcohols, cyclohexanol, and other carbon compounds, J. Am. Chem. Soc., 1920, 42, 1599-1617. [all data]

Emery and Benedict, 1911
Emery, A.G.; Benedict, F.G., The heat of combustion of compounds of physiological importance, Am. J. Physiol., 1911, 28, 301-307. [all data]

Haida, Suga, et al., 1977
Haida, O.; Suga, H.; Seki, S., Calorimetric study of the glassy state. XII. Plural glass-transition phenomena of ethanol, J. Chem. Thermodynam., 1977, 9, 1133-1148. [all data]

Kelley, 1929
Kelley, K.K., The heat capacities of ethyl and hexyl alcohols from 16°K to 298°K and the corresponding entropies and free energies, J. Am. Chem. Soc., 1929, 51, 779-786. [all data]

Petrov, Peshekhodov, et al., 1989
Petrov, A.N.; Peshekhodov, P.B.; Al'per, G.A., Heat capacity of non-aqueous solutions of non-electrolyts with N,N-dimethylformamide as a base, Sbornik Nauch. Trud., Termodin. Rast. neelect., Ivanovo, Inst. nevod. rast., 1989, Akad. [all data]

Andreoli-Ball, Patterson, et al., 1988
Andreoli-Ball, L.; Patterson, D.; Costas, M.; Caceres-Alonso, M., Heat capacity and corresponding states in alkan-1-ol-n-alkane systems, J. Chem. Soc., Faraday Trans. 1, 1988, 84(11), 3991-4012. [all data]

Ogawa and Murakami, 1986
Ogawa, H.; Murakami, S., Excess isobaric heat capacities for water + alkanol mixtures at 298.15 K, Thermochim. Acta, 1986, 109, 145-154. [all data]

Tanaka, Toyama, et al., 1986
Tanaka, R.; Toyama, S.; Murakami, S., Heat capacities of {xCnH2n+1OH+(1-x)C7H16} for n = 1 to 6 at 298.15 K, J. Chem. Thermodynam., 1986, 18, 63-73. [all data]

Ogawa and Murakami, 1985
Ogawa, H.; Murakami, S., Flow microcalorimeter for heat capacities of solutions, Thermochim. Acta, 1985, 88, 255-260. [all data]

Stephens and Olson, 1984
Stephens, M.; Olson, J.D., Measurement of excess heat capacities by differential scanning calorimetry, Thermochim. Acta, 1984, 76, 79-85. [all data]

Zegers and Somsen, 1984
Zegers, H.C.; Somsen, G., Partial molar volumes and heat capacities in (dimethylformamide + an n-alkanol), J. Chem. Thermodynam., 1984, 16, 225-235. [all data]

Benson and D'Arcy, 1982
Benson, G.C.; D'Arcy, P.J., Excess isobaric heat capacities of water - n-alcohol mixtures, J. Chem. Eng. Data, 1982, 27, 439-442. [all data]

Villamanan, Casanova, et al., 1982
Villamanan, M.A.; Casanova, C.; Roux-Desgranges, G.; Grolier, J.-P.E., Thermochemical behavior of mixtures of n-alcohol + aliphatic ether: heat capacities and volumes at 298.15 K, Thermochim. Acta, 1982, 52, 279-283. [all data]

Brown and Ziegler, 1979
Brown, G.N., Jr.; Ziegler, W.T., Temperature dependence of excess thermodynamic properties of ethanol + n-heptane and 2-propanol + n-heptane solutions, J. Chem. Eng. Data, 1979, 24, 319-330. [all data]

Vesely, Zabransky, et al., 1979
Vesely, F.; Zabransky, M.; Svoboda, V.; Pick, J., The use of mixing calorimeter for measuring heat capacities of liquids, Coll. Czech. Chem. Commun., 1979, 44, 3529-3532. [all data]

Vesely, Svoboda, et al., 1977
Vesely, F.; Svoboda, V.; Pick, J., Heat capacities of some organic liquids determined with the mixing calorimeter, 1st Czech. Conf. Calorimetry (Lect. Short Commun.), 1977, C9-1-C9-4. [all data]

Fortier, Benson, et al., 1976
Fortier, J.-L.; Benson, G.C.; Picker, P., Heat capacities of some organic liquids determined with the Picker flow calorimeter, J. Chem. Thermodynam., 1976, 8, 289-299. [all data]

Fortier and Benson, 1976
Fortier, J.-L.; Benson, G.C., Excess heat capacities of binary liquid mixtures determined with a Picker flow calorimeter, J. Chem. Thermodynam., 1976, 8, 411-423. [all data]

Pedersen, Kay, et al., 1975
Pedersen, M.J.; Kay, W.B.; Hershey, H.C., Excess enthalpies, heat capacities, and excess heat capacities as a function of temperature in liquid mixtures of ethanol + toluene, ethanol + hexamethyldisiloxane, and hexamethyldisiloxane + toluene, J. Chem. Thermodynam., 1975, 7, 1107-1118. [all data]

Paz Andrade, Paz, et al., 1970
Paz Andrade, M.I.; Paz, J.M.; Recacho, E., Contribucion a la microcalorimetria de los calores especificos de solidos y liquidos, An. Quim., 1970, 66, 961-967. [all data]

Nikolaev, Rabinovich, et al., 1967
Nikolaev, P.N.; Rabinovich, I.B.; Lebedev, B.V., Specific heat of H- and D-ethyl alcohol in the interval 80-250K, Zhur. Fiz. Khim., 1967, 41, 1294-1299. [all data]

Hwa and Ziegler, 1966
Hwa, S.C.P.; Ziegler, W.T., Temperature dependence of excess thermodynamic properties of ethanol-methylcyclohexane and ethanol-toluene systems, J. Phys. Chem., 1966, 70(8), 2572-2593. [all data]

Rabinovich and Nikolaev, 1962
Rabinovich, I.B.; Nikolaev, P.N., Isotopic effect in the specific heat of some deutero compounds, Dokl. Akad. Nauk, 1962, SSSR 142, 1335-1338. [all data]

Swietoslawski and Zielenkiewicz, 1960
Swietoslawski, W.; Zielenkiewicz, A., Mean specific heat in homologous series of binary and ternary positive azeotropes, Bull. Acad. Pol. Sci. Ser. Sci. Chim., 1960, 8, 651-653. [all data]

Mazur, 1940
Mazur, V.J., On the specific heat of ethyl alcohol, Acta Phys. Polon., 1940, 8, 6-11. [all data]

Bykov, 1939
Bykov, V.T., Heat of mixing of liquids, Zhur. Fiz. Khim., 1939, 13, 1013-1019. [all data]

Ernst, Watkins, et al., 1936
Ernst, R.C.; Watkins, C.H.; Ruwe, H.H., The physical properties of the ternary system ethyl alcohol-glycerin-water, J. Phys. Chem., 1936, 40, 627-635. [all data]

Fiock, Ginnings, et al., 1931
Fiock, E.F.; Ginnings, D.C.; Holton, W.B., Calorimetric determinations of thermal properties of methyl alcohol, ethyl alcohol, and benzene, J. Res., 1931, NBS 6, 881-900. [all data]

Mitsukuri and Hara, 1929
Mitsukuri, S.; Hara, K., Specific heats of acetone, methyl-, ethyl-, and n-propyl-alcohols at low temperatures, Bull. Chem. Soc. Japan, 1929, 4, 77-81. [all data]

Parks, Kelley, et al., 1929
Parks, G.S.; Kelley, K.K.; Huffman, H.M., Thermal data on organic compounds. V. A revision of the entropies and free energies of nineteen organic compounds, J. Am. Chem. Soc., 1929, 51, 1969-1973. [all data]

Willams and Daniels, 1924
Willams, J.W.; Daniels, F., The specific heats of certain organic liquids at elevated temperatures, J. Am. Chem. Soc., 1924, 46, 903-917. [all data]

Gibson, Parks, et al., 1920
Gibson, G.E.; Parks, G.S.; Latimer, W.M., Entropy changes at low temperatures. II. Ethyl and propyl alcohols and their equal molal mixture, J. Am. Chem. Soc., 1920, 42, 1542-1550. [all data]

von Reis, 1881
von Reis, M.A., Die specifische Wärme flüssiger organischer Verbindungen und ihre Beziehung zu deren Moleculargewicht, Ann. Physik [3], 1881, 13, 447-464. [all data]

Gude and Teja, 1995
Gude, M.; Teja, A.S., Vapor-Liquid Critical Properties of Elements and Compounds. 4. Aliphatic Alkanols, J. Chem. Eng. Data, 1995, 40, 1025-1036. [all data]

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]

Mejia, Segura, et al., 2010
Mejia, Andres; Segura, Hugo; Cartes, Marcela, Vapor-Liquid Equilibria and Interfacial Tensions of the System Ethanol + 2-Methoxy-2-methylpropane, J. Chem. Eng. Data, 2010, 55, 1, 428-434, https://doi.org/10.1021/je9004068 . [all data]

Aucejo, Loras, et al., 1999
Aucejo, Antonio; Loras, Sonia; Muñoz, Rosa; Ordoñez, Luis Miguel, Isobaric vapor--liquid equilibrium for binary mixtures of 2-methylpentane+ethanol and +2-methyl-2-propanol, Fluid Phase Equilibria, 1999, 156, 1-2, 173-183, https://doi.org/10.1016/S0378-3812(99)00029-1 . [all data]

Diogo, Santos, et al., 1995
Diogo, Hermínio P.; Santos, Rui C.; Nunes, Paulo M.; Minas da Piedade, Manuel E., Ebulliometric apparatus for the measurement of enthalpies of vaporization, Thermochimica Acta, 1995, 249, 113-120, https://doi.org/10.1016/0040-6031(95)90678-9 . [all data]

Ortega, Susial, et al., 1990
Ortega, Juan; Susial, Pedro; De Alfonso, Casiano, Isobaric vapor-liquid equilibrium of methyl butanoate with ethanol and 1-propanol binary systems, J. Chem. Eng. Data, 1990, 35, 2, 216-219, https://doi.org/10.1021/je00060a037 . [all data]

Vine and Wormald, 1989
Vine, M.D.; Wormald, C.J., The enthalpy of ethanol, The Journal of Chemical Thermodynamics, 1989, 21, 11, 1151-1157, https://doi.org/10.1016/0021-9614(89)90101-8 . [all data]

Dong, Lin, et al., 1988
Dong, Jin-Quan; Lin, Rui-Sen; Yen, Wen-Hsing, Heats of vaporization and gaseous molar heat capacities of ethanol and the binary mixture of ethanol and benzene, Can. J. Chem., 1988, 66, 4, 783-790, https://doi.org/10.1139/v88-136 . [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Ambrose, Counsell, et al., 1970
Ambrose, D.; Counsell, J.F.; Davenport, A.J., The use of Chebyshev polynomials for the representation of vapour pressures between the triple point and the critical point, The Journal of Chemical Thermodynamics, 1970, 2, 2, 283-294, https://doi.org/10.1016/0021-9614(70)90093-5 . [all data]

Wilhoit and Zwolinski, 1973
Wilhoit, R.C.; Zwolinski, B.J., Physical and thermodynamic properties of aliphatic alcohols, J. Phys. Chem. Ref. Data Suppl., 1973, 1, 2, 1. [all data]

Counsell, Fenwick, et al., 1970
Counsell, J.F.; Fenwick, J.O.; Lees, E.B., Thermodynamic properties of organic oxygen compounds 24. Vapour heat capacities and enthalpies of vaporization of ethanol, 2-methylpropan-1-ol, and pentan-1-ol, The Journal of Chemical Thermodynamics, 1970, 2, 3, 367-372, https://doi.org/10.1016/0021-9614(70)90007-8 . [all data]

Van Ness, Soczek, et al., 1967
Van Ness, Hendrick C.; Soczek, C.A.; Peloquin, G.L.; Machado, R.L., Thermodynamic excess properties of three alcohol-hydrocarbon systems, J. Chem. Eng. Data, 1967, 12, 2, 217-224, https://doi.org/10.1021/je60033a017 . [all data]

Kretschmer and Wiebe, 1949
Kretschmer, Carl B.; Wiebe, Richard., Liquid-Vapor Equilibrium of Ethanol--Toluene Solutions, J. Am. Chem. Soc., 1949, 71, 5, 1793-1797, https://doi.org/10.1021/ja01173a076 . [all data]

Oguri, Anjo, et al., 1934
Oguri, S.; Anjo, S.; Kuwabara, Y., Bull. Waseda Appl. Chem. Soc., 1934, 22, 1. [all data]

Kahlbaum, 1883
Kahlbaum, Georg W.A., Ueber die Abhängigkeit der Siedetemperatur vom Luftdruck, Ber. Dtsch. Chem. Ges., 1883, 16, 2, 2476-2484, https://doi.org/10.1002/cber.188301602178 . [all data]

Ambrose, Sprake, et al., 1975
Ambrose, D.; Sprake, C.H.S.; Townsend, R., Thermodynamic Properties of Organic Oxygen Compounds. XXXVII. Vapour Pressures of Methanol, Ethanol, Pentan-1-ol, and Octan-1-ol from the Normal Boiling Temperature to the Critical Temperature, J. Chem. Thermodyn., 1975, 7, 2, 185-190, https://doi.org/10.1016/0021-9614(75)90267-0 . [all data]

Ambrose and Sprake, 1970
Ambrose, D.; Sprake, C.H.S., Thermodynamic properties of organic oxygen compounds XXV. Vapour pressures and normal boiling temperatures of aliphatic alcohols, The Journal of Chemical Thermodynamics, 1970, 2, 5, 631-645, https://doi.org/10.1016/0021-9614(70)90038-8 . [all data]

Yoshida, 1944
Yoshida, U., Structural relaxation of amorphous solids and the cybotactic structure of super-cooled liquids, Mem. Coll. Sci. Kyoto Imp. Univ., 1944, 24A, 135-148. [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [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]

Bomse and Beauchamp, 1981
Bomse, D.S.; Beauchamp, J.L., Slow Multiphoton Excitation as a Probe of Bimolecular and Unimolecular Reaction Energetics. Multiphoton Dissociation of Proton-Bound Alcohol Dimers, J. Am. Chem. Soc., 1981, 103, 12, 3292, https://doi.org/10.1021/ja00402a011 . [all data]

Meot-Ner and Sieck, 1986
Meot-Ner, M.; Sieck, L.W., The ionic hydrogen bond and ion solvation. 5. OH...O- bonds. Gas phase solvation and clustering of alkoxide and carboxylate anions, J. Am. Chem. Soc., 1986, 108, 7525. [all data]

Caldwell, Rozeboom, et al., 1984
Caldwell, G.; Rozeboom, M.D.; Kiplinger, J.P.; Bartmess, J.E., Anion-alcohol hydrogen bond strengths in the gas phase, J. Am. Chem. Soc., 1984, 106, 4660. [all data]

Paul and Kebarle, 1990
Paul, G.J.C.; Kebarle, P., Thermodynamics of the Association Reactions OH- - H2O = HOHOH- and CH3O- - CH3OH = CH3OHOCH3- in the Gas Phase, J. Phys. Chem., 1990, 94, 12, 5184, https://doi.org/10.1021/j100375a076 . [all data]

Meot-ner and Sieck, 1986
Meot-ner, M.; Sieck, L.W., Relative acidities of water and methanol, and the stabilities of the dimer adducts, J. Phys. Chem., 1986, 90, 6687. [all data]

Meot-Ner(Mautner), 1986
Meot-Ner(Mautner), M., Comparative Stabilities of Cationic and Anionic Hydrogen-Bonded Networks. Mixed Clusters of Water-Methanol, J. Am. Chem. Soc., 1986, 108, 20, 6189, https://doi.org/10.1021/ja00280a014 . [all data]

McIver, Scott, et al., 1973
McIver, R.T., Jr.; Scott, J.A.; Riveros, J.M., Effect of solvation on the intrinsic relative acidity of methanol and ethanol, J. Am. Chem. Soc., 1973, 95, 2706. [all data]

Meot-Ner (Mautner), 1992
Meot-Ner (Mautner), M., Intermolecular Forces in Organic Clusters, J. Am. Chem. Soc., 1992, 114, 9, 3312, https://doi.org/10.1021/ja00035a024 . [all data]

Blanchard, Joly, et al., 1974
Blanchard, J.M.; Joly, R.D.; Lettoffe, J.M.; Perachon, G.; Thourey, J., J. Chim. Phys. Phys.-Chim. Biol., 1974, 71, 472. [all data]

Tel'noi and Rabinovich, 1980
Tel'noi, V.I.; Rabinovich, I.B., Russ. Chem. Rev., 1980, 49, 603. [all data]

Wagman, Evans W.H., et al., 1982
Wagman, D.D.; Evans W.H.; Parker, V.B.; Schumm, R.H.; Halow, I.; Bailey, S.M.; Churney, K.L.; Nuttall, R.L., The NBS Tables of Chemical Thermodynamic Properties; J. Phys. Chem. Ref. Data, 1982, 11, Suppl. 2. [all data]

Liebman, Martinho Simões, et al., 1995
Liebman, J.F.; Martinho Simões, J.A.; Slayden, S.W., In Lithium Chemistry: A Theoretical and Experimental Overview Wiley: New York, Sapse, A.-M.; Schleyer, P. von Ragué, ed(s)., 1995. [all data]

Bogdanov, Peschke, et al., 1999
Bogdanov, B.; Peschke, M.; Tonner, D.S.; Szulejko, J.E.; McMahon, T.B., Stepwise solvation of halides by alcohol molecules in the gas phase, Int. J. Mass Spectrom., 1999, 187, 707-725, https://doi.org/10.1016/S1387-3806(98)14180-5 . [all data]

Hiraoka, 1987
Hiraoka, K., Relation Between Gas Phase Stepwise and Bulk Solvation of Cl- with Water and Aliphatic Alcohols, Bull. Chem. Soc. Japan, 1987, 60, 7, 2555, https://doi.org/10.1246/bcsj.60.2555 . [all data]

Larson and McMahon, 1984
Larson, J.W.; McMahon, T.B., Hydrogen bonding in gas phase anions. An experimental investigation of the interaction between chloride ion and bronsted acids from ICR chloride exchange equilibria, J. Am. Chem. Soc., 1984, 106, 517. [all data]

Hiraoka and Mizuse, 1987
Hiraoka, K.; Mizuse, S., Gas-Phase Solvation of Cl- with H2O, CH3OH, C2H4OH, i-C3H7OH, n-C3H7OH, and t-C4H9OH, Chem. Phys., 1987, 118, 3, 457, https://doi.org/10.1016/0301-0104(87)85078-4 . [all data]

Larson and McMahon, 1984, 2
Larson, J.W.; McMahon, T.B., Gas phase negative ion chemistry of alkylchloroformates, Can. J. Chem., 1984, 62, 675. [all data]

Riveros, 1974
Riveros, J.M., Formation and Relative Stability of Negative Clustered Ions by Ion Cyclotron Resonance Spectroscopy, Adv. Mass Spectrom., 1974, 6, 277. [all data]

Riveros, Breda, et al., 1973
Riveros, J.M.; Breda, A.C.; Blair, L.K., Formation and relative stability of chloride ion clusters in the gas phase by ICR spectroscopy, J. Am. Chem. Soc., 1973, 95, 4066. [all data]

Ramond, Davico, et al., 2000
Ramond, T.M.; Davico, G.E.; Schwartz, R.L.; Lineberger, W.C., Vibronic structure of alkoxy radicals via photoelectron spectroscopy, J. Chem. Phys., 2000, 112, 3, 1158-1169, https://doi.org/10.1063/1.480767 . [all data]

Haas and Harrison, 1993
Haas, M.J.; Harrison, A.G., The Fragmentation of Proton-Bound Cluster Ions and the Gas-Phase Acidities of Alcohols, Int. J. Mass Spectrom. Ion Proc., 1993, 124, 2, 115, https://doi.org/10.1016/0168-1176(93)80003-W . [all data]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]

DeTuri and Ervin, 1999
DeTuri, V.F.; Ervin, K.M., Competitive threshold collision-induced dissociation: Gas-phase acidities and bond dissociation energies for a series of alcohols, J. Phys. Chem. A, 1999, 103, 35, 6911-6920, https://doi.org/10.1021/jp991459m . [all data]

Larson and McMahon, 1983
Larson, J.W.; McMahon, T.B., Strong hydrogen bonding in gas-phase anions. An ion cyclotron resonance determination of fluoride binding energetics to bronsted acids from gas-phase fluoride exchange equilibria measurements, J. Am. Chem. Soc., 1983, 105, 2944. [all data]

Arshadi, Yamdagni, et al., 1970
Arshadi, M.; Yamdagni, R.; Kebarle, P., Hydration of Halide Negative Ions in the Gas Phase. II. Comparison of Hydration Energies for the Alkali Positive and Halide Negative Ions, J. Phys. Chem., 1970, 74, 7, 1475, https://doi.org/10.1021/j100702a014 . [all data]

Meot-ner, 1988
Meot-ner, M., Ionic Hydrogen Bond and Ion Solvation. 6. Interaction Energies of the Acetate Ion with Organic Molecules. Comparison of CH3COO- with Cl-, CN-, and SH-, J. Am. Chem. Soc., 1988, 110, 12, 3854, https://doi.org/10.1021/ja00220a022 . [all data]

Larson and McMahon, 1987
Larson, J.W.; McMahon, T.B., Hydrogen bonding in gas phase anions. The energetics of interaction between cyanide ion and bronsted acids, J. Am. Chem. Soc., 1987, 109, 6230. [all data]

Payzant, Yamdagni, et al., 1971
Payzant, J.D.; Yamdagni, R.; Kebarle, P., Hydration of CN-, NO2-, NO3-, and HO- in the gas phase, Can. J. Chem., 1971, 49, 3308. [all data]

Caldwell and Kebarle, 1984
Caldwell, G.; Kebarle, P., Binding energies and structural effects in halide anion-ROH and -RCOOH complexes from gas phase equilibria measurements, J. Am. Chem. Soc., 1984, 106, 967. [all data]

Tanabe, Morgon, et al., 1996
Tanabe, F.K.J.; Morgon, N.H.; Riveros, J.M., Relative Bromide and Iodide Affinity of Simple Solvent Molecules Determined by FT-ICR, J. Phys. Chem., 1996, 100, 8, 2862-2866, https://doi.org/10.1021/jp952290p . [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]

Sieck and Meot-ner, 1989
Sieck, L.W.; Meot-ner, M., Ionic Hydrogen Bond and Ion Solvation. 8. RS-..HOR Bond Strengths. Correlation with Acidities., J. Phys. Chem., 1989, 93, 4, 1586, https://doi.org/10.1021/j100341a079 . [all data]

Stone and Splinter, 1984
Stone, J.A.; Splinter, D.E., A high-pressure mass spectrometric study of the binding of (CH3)3Sn+ to lewis bases in the gas phase, Int. J. Mass Spectrom. Ion Processes, 1984, 59, 169. [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]

Amicangelo and Armentrout, 2001
Amicangelo, J.C.; Armentrout, P.B., Relative and Absolute Bond Dissociation Energies of Sodium Cation Complexes Determined Using Competitive Collision-Induced Dissociation Experiments, Int. J. Mass Spectrom., 2001, 212, 1-3, 301, https://doi.org/10.1016/S1387-3806(01)00494-8 . [all data]

Armentrout and Rodgers, 2000
Armentrout, P.B.; Rodgers, M.T., An Absolute Sodium Cation Affinity Scale: Threshold Collision-Induced Dissociation Experiments and ab Initio Theory, J. Phys. Chem A, 2000, 104, 11, 2238, https://doi.org/10.1021/jp991716n . [all data]

Rodgers and Armentrout, 1999
Rodgers, M.T.; Armentrout, P.B., Absolute Binding Energies of Sodium Ions to Short-Chain Alcohols, CnH2n+2O, n=1-4, Determined by Threshold Collision-Induced Dissociation Experiments and Ab Initio Theory, 1999, 4955. [all data]

McMahon and Ohanessian, 2000
McMahon, T.B.; Ohanessian, G., An Experimental and Ab Initio Study of the Nature of the Binding in Gas-Phase Complexes of Sodium Ions, Chem. Eur. J., 2000, 6, 16, 2931, https://doi.org/10.1002/1521-3765(20000818)6:16<2931::AID-CHEM2931>3.0.CO;2-7 . [all data]

Hiraoka, Mizure, et al., 1988
Hiraoka, K.; Mizure, S.; Yamabe, S.; Nakatsuji, Y., Gas Phase Clustering Reactions of CN- and CH2CN- with MeCN, Chem. Phys. Lett., 1988, 148, 6, 497, https://doi.org/10.1016/0009-2614(88)80320-8 . [all data]

Wiberg, Crocker, et al., 1991
Wiberg, K.B.; Crocker, L.S.; Morgan, K.M., Thermochemical studies of carbonyl compounds. 5. Enthalpies of reduction of carbonyl groups, J. Am. Chem. Soc., 1991, 113, 3447-3450. [all data]

Dolliver, Gresham, et al., 1938
Dolliver, M.A.; Gresham, T.L.; Kistiakowsky, G.B.; Smith, E.A.; Vaughan, W.E., Heats of organic reactions. VI. Heats of hydrogenation of some oxygen-containing compounds, J. Am. Chem. Soc., 1938, 60, 440-450. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Sola, Pericas, et al., 1995
Sola, L.; Pericas, M.A.; Cunill, F.; Tejero, J., Thermodynamic and kinetic studies of the liquid phase synthesis of tert-butyl ethyl ether using a reaction calorimeter, Ind. Eng. Chem. Res., 1995, 34, 3718-3725. [all data]

Iborra, Izquierdo, et al., 1989
Iborra, M.; Izquierdo, J.F.; Tejero, J.; Cunill, F., Equilibrium constant for ethyl tert-butyl ether vapor-phase synthesis, J. Chem. Eng. Data, 1989, 34, 1-5. [all data]

Nieckarz, Atkins, et al., 2008
Nieckarz, R.J.; Atkins, C.G.; McMahon, T.B., Effects of Isomerization on the Measured Thermochemical Properties of Deprotonated Glycine/Protic-Solvent Clusters, Chemphyschem, 2008, 9, 18, 2816-2825, https://doi.org/10.1002/cphc.200800525 . [all data]

Essex and Sandholzer, 1938
Essex, H.; Sandholzer, M., The free energy of formation of ethyl propionate, J. Phys. Chem., 1938, 42, 317-333. [all data]

Bradley and Hillyer, 1966
Bradley, D.C.; Hillyer, M.J., Trans. Faraday Soc., 1966, 62, 2367. [all data]

Pedley and Rylance, 1977
Pedley, J.B.; Rylance, J., Computer Analysed Thermochemical Data: Organic and Organometallic Compounds, University of Sussex, Brigton, 1977. [all data]

Wilkinson, Szulejko, et al., 1992
Wilkinson, F.E.; Szulejko, J.E.; Allison, C.E.; Mcmahon, T.B., Fourier Transform Ion Cyclotron Resonance Investigation of the Deuterium Isotope Effect on Gas Phase Ion/Molecule Hydrogen Bonding Interactions in Alcohol-Fluoride Adduct Ions, Int. J. Mass Spectrom., 1992, 117, 487-505, https://doi.org/10.1016/0168-1176(92)80110-M . [all data]

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]

Davies, Finch, et al., 1980
Davies, R.H.; Finch, A.; Gardner, P.J., The standard enthalpy of formation of liquid and gaseous ethylchloroformate (C3H5O2Cl), J. Chem. Thermodyn., 1980, 12, 291-296. [all data]

Guthrie and Pike, 1987
Guthrie, J.P.; Pike, D.C., Hydration of acylimidazoles: tetrahedral intermediates in acylimidazole hydrolysis and nucleophilic attack by imidazole on esters. The question of concerted mechanisms for acyl transfers, Can. J. Chem., 1987, 65, 1951-1969. [all data]

Timmermans, 1960
Timmermans, J., The Physico-Chemical Constants of Binary Systems in Conc-- entrated Solutions, Wiley-Interscience, New York, 1960. [all data]

Butler, Ramchandani, et al., 1935
Butler, J.A.V.; Ramchandani, C.N.; Thomson, D.W., The Solubility of Non-Electrolytes. Part 1. The Free Energy of Hydration of Some Alphatic Alcohols, J. Chem. Soc., 1935, 280-285, https://doi.org/10.1039/jr9350000280 . [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]

Tabrizchi and Shooshtari, 2003
Tabrizchi, M.; Shooshtari, S., Proton affinity measurements using ion mobility spectrometry, J. Chem. Thermodynamics, 2003, 35, 863. [all data]

Holmes and Lossing, 1991
Holmes, J.L.; Lossing, F.P., Ionization energies of homologous organic compounds and correlation with molecular size, Org. Mass Spectrom., 1991, 26, 537. [all data]

Ohno, Imai, et al., 1985
Ohno, K.; Imai, K.; Harada, Y., Variations in reactivity of lone-pair electrons due to intramolecular hydrogen bonding as observed by penning ionization electron spectroscopy, J. Am. Chem. Soc., 1985, 107, 8078. [all data]

Bowen and Maccoll, 1984
Bowen, R.D.; Maccoll, A., Low energy, low temperature mass spectra, Org. Mass Spectrom., 1984, 19, 379. [all data]

Ohno, Imai, et al., 1983
Ohno, K.; Imai, K.; Matsumoto, S.; Harada, Y., Penning ionization electron spectroscopy of C2H5X (X = NH2, OH, H, Cl, I) relative reactivity of orbital localizing on functional groups upon electrophilic attack by metastable helium atoms, J. Phys. Chem., 1983, 87, 4346. [all data]

Mishchanchuk, Pokrovskii, et al., 1982
Mishchanchuk, B.G.; Pokrovskii, V.A.; Shabel'nikov, V.P.; Korol, E.N., Mass spectrometric study of energy characteristics of methanol and ethanol ions during ionization by a strong electric field, Teor. Eksp. Khim., 1982, 18, 307. [all data]

Von Niessen, Bieri, et al., 1980
Von Niessen, W.; Bieri, G.; Asbrink, L., 30.4 nm He(II) photoelectron spectra of organic molecules. Part III. Oxo-compounds (C,H,O), J. Electron Spectrosc. Relat. Phenom., 1980, 21, 175. [all data]

Potapov and Sorokin, 1972
Potapov, V.K.; Sorokin, V.V., Kinetic energies of products of dissociative photoionization of molecules. I. Aliphatic ketones and alcohols, Khim. Vys. Energ., 1972, 6, 387. [all data]

Cocksey, Eland, et al., 1971
Cocksey, B.J.; Eland, J.H.D.; Danby, C.J., The effect of alkyl substitution on ionisation potential, J. Chem. Soc., 1971, (B), 790. [all data]

Baker, Betteridge, et al., 1971
Baker, A.D.; Betteridge, D.; Kemp, N.R.; Kirby, R.E., Application of photoelectron spectrometry to pesticide analysis. II.Photoelectron spectra of hydroxy-, and halo-alkanes and halohydrins, Anal. Chem., 1971, 43, 375. [all data]

Dewar and Worley, 1969
Dewar, M.J.S.; Worley, S.D., Photoelectron spectra of molecules. I. Ionization potentials of some organic molecules and their interpretation, J. Chem. Phys., 1969, 50, 654. [all data]

Refaey and Chupka, 1968
Refaey, K.M.A.; Chupka, W.A., Photoionization of the lower aliphatic alcohols with mass analysis, J. Chem. Phys., 1968, 48, 5205. [all data]

Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J., Ionization potentials of some molecules, J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]

Utsunomiya, Kobayashi, et al., 1980
Utsunomiya, C.; Kobayashi, T.; Nagakura, S., Photoelectron angular distribution measurements for some aliphatic alcohols, amines, halides, Bull. Chem. Soc. Jpn., 1980, 53, 1216. [all data]

Hoppilliard and Solgadi, 1980
Hoppilliard, Y.; Solgadi, D., Conformational analysis of 2-haloethanols and 2-methoxyethylhalides in a photoelectron spectrometer, Tetrahedron, 1980, 36, 377. [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]

Peel and Willett, 1975
Peel, J.B.; Willett, G.D., Photoelectron spectroscopic studies of the higher alcohols, Aust. J. Chem., 1975, 28, 2357. [all data]

Vovna, Lopatin, et al., 1974
Vovna, V.I.; Lopatin, S.N.; Pettsold, R.; Vilesov, F.I.; Akopyan, M.E., Photoelectron spectra of a number of substitution products of thiophosphoryl chloride, Opt. Spectrosc., 1974, 36, 99. [all data]

Schweig and Thiel, 1974
Schweig, A.; Thiel, W., Photoionization cross sections: He I- and He II-photoelectron spectra of homologous oxygen and sulphur compounds, Mol. Phys., 1974, 27, 265. [all data]

Robin and Kuebler, 1973
Robin, M.B.; Kuebler, N.A., Excited electronic states of the simple alcohols, J. Electron Spectrosc. Relat. Phenom., 1973, 1, 13. [all data]

Katsumata, Iwai, et al., 1973
Katsumata, S.; Iwai, T.; Kimura, K., Photoelectron spectra and sum rule consideration. Higher alkyl amines and alcohols, Bull. Chem. Soc. Jpn., 1973, 46, 3391. [all data]

Stepanov, Perov, et al., 1988
Stepanov, A.N.; Perov, A.A.; Kabanov, S.P.; Simonov, A.P., Formation of long-lived, highly excited atoms during dissociative excitation of CH3CN, CH3CH2OH, CH3COOH, HCOOH, and C4H4S molecules on electron impact, Russ. J. Phys. Chem., 1988, 22, 81. [all data]

Haney and Franklin, 1969
Haney, M.A.; Franklin, J.L., Excess energies in mass spectra of some oxygen-containing organic compounds, J. Chem. Soc. Faraday Trans., 1969, 65, 1794. [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]

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]

Friedman, Long, et al., 1957
Friedman, L.; Long, F.A.; Wolfsberg, M., Study of the mass spectra of the lower aliphatic alcohols, J. Chem. Phys., 1957, 27, 613. [all data]

Holmes, Terlouw, et al., 1976
Holmes, J.L.; Terlouw, J.K.; Lossing, F.P., The thermochemistry of C2H4O+ ions, J. Phys. Chem., 1976, 80, 2860. [all data]

Solka and Russell, 1974
Solka, B.H.; Russell, M.E., Energetics of formation of some structural isomers of gaseous C2H5O+ C2H6N+ ions, J. Phys. Chem., 1974, 78, 1268. [all data]

Ruscic and Berkowitz, 1994
Ruscic, B.; Berkowitz, J., The heats of formation of some C2H5O+ isomers, relevant bond energies in ethanol and PA(CH3CHO), J. Chem. Phys., 1994, 101, 10936. [all data]

Lewis and Hamill, 1970
Lewis, D.; Hamill, W.H., Excited states of neutral molecular fragments from appearance potentials by electron impact in a mass spectrometer, J. Chem. Phys., 1970, 52, 6348. [all data]

Niwa, Nishimura, et al., 1982
Niwa, Y.; Nishimura, T.; Tsuchiya, T., Ionic dissociation of ethanol studied by photoelectron-photoion coincidence spectroscopy, Int. J. Mass Spectrom. Ion Processes, 1982, 42, 91. [all data]

Haney and Franklin, 1969, 2
Haney, M.A.; Franklin, J.L., Heats of formation of H3O+, H3S+, and NH4+ by electron impact, J. Chem. Phys., 1969, 50, 2028. [all data]

Rodgers and Armentrout, 2000
Rodgers, M.T.; Armentrout, P.B., Noncovalent Metal-Ligand Bond Energies as Studied by Threshold Collision-Induced Dissociation, Mass Spectrom. Rev., 2000, 19, 4, 215, https://doi.org/10.1002/1098-2787(200007)19:4<215::AID-MAS2>3.0.CO;2-X . [all data]

Golovnya, Kuz'menko, et al., 2000
Golovnya, R.V.; Kuz'menko, T.e.; Samusenko, A.L., Method for prediction of the ability of analyte for self-association in pure liquid, Proceedings 23rd ISCC; CD-ROM, 2000, retrieved from http://www.richrom.com/assets/CD23PDF/a09.pdf. [all data]

Golovnya, Kuz'menko, et al., 2000, 2
Golovnya, R.V.; Kuz'menko, T.E.; Samusenko, A.L., Gas-chromatographic method of evaluation of n-alkanol ability for self-association in pure liquid, Russ. Chem. Bull. (Engl. Transl.), 2000, 49, 2, 317-320, https://doi.org/10.1007/BF02494680 . [all data]

Gawdzik and Matynia, 1994
Gawdzik, B.; Matynia, T., Characterization of methacrylic ester of p,p'-dihydroxydiphenylpropane diglicydyl ether - divinylbenzene porous copolymers for GC, Chromatographia, 1994, 38, 9/10, 643-648, https://doi.org/10.1007/BF02277169 . [all data]

Haken and Korhonen, 1985
Haken, J.K.; Korhonen, I.O.O., Gas chromatography of homologous esters. XXVII. Retention increments of C1-C18 primary alkanols and their 2-chloropropanoyl and 3-chloropropanoyl derivatives on SE-30 and OV-351 capillary columns, J. Chromatogr., 1985, 319, 131-142, https://doi.org/10.1016/S0021-9673(01)90548-5 . [all data]

Castello and D'Amato, 1983
Castello, G.; D'Amato, G., Classification of the Polarity of porous polymer bead stationary phases by comparison with squalane and apolane standard liquid phases, J. Chromatogr., 1983, 269, 153-160, https://doi.org/10.1016/S0021-9673(01)90798-8 . [all data]

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
Becerra, M.R.; Sánchez, E.F.; Domínguez, J.A.G.; Muñoz, J.G.; Molera, M.J., The use of gaseous and liquid n-paraffins in GC identification of oxidation products of acetondimethyl acetal, J. Chromatogr. Sci., 1982, 20, 8, 363-366, https://doi.org/10.1093/chromsci/20.8.363 . [all data]

Nijs and Jacobs, 1981
Nijs, H.H.; Jacobs, P.A., On-Line Single Run Analysis of Effluents from a Fischer-Tropsch Reactor, J. Chromatogr. Sci., 1981, 19, 1, 40-45, https://doi.org/10.1093/chromsci/19.1.40 . [all data]

Gröbler and Bálizs, 1979
Gröbler, A.; Bálizs, G., Investigations on mixed gas chromatographic stationary phases. Part I. Dependence of the retention index on the composition of the stationary phase, J. Chromatogr. Sci., 1979, 17, 11, 631-635, https://doi.org/10.1093/chromsci/17.11.631 . [all data]

Haken, Nguyen, et al., 1979
Haken, J.K.; Nguyen, A.; Wainwright, M.S., Application of linear extrathermodynamic relationships to alcohols, aldehydes, ketones, amd ethoxy alcohols, J. Chromatogr., 1979, 179, 1, 75-85, https://doi.org/10.1016/S0021-9673(00)80658-5 . [all data]

Bogoslovsky, Anvaer, et al., 1978
Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S., Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192. [all data]

Pías and Gascó, 1975
Pías, J.B.; Gascó, L., GC Retention Data of Alcohols and Benzoyl Derivatives of Alcohols, J. Chromatogr. - Chrom. Data, 1975, d14-d16. [all data]

Wagaman and Smith, 1971
Wagaman, K.L.; Smith, T.G., Use of hydrocarbons as carrier gases in GLC, J. Chromatogr. Sci., 1971, 9, 4, 241-244, https://doi.org/10.1093/chromsci/9.4.241 . [all data]

Mira and Sanchez, 1970
Mira, J.M.; Sanchez, L.G., Polarity of the Gas Chromatographic Stationary Phases and Retention Indices of Aliphatic Esters, Ketones and Alcohols, Anal. Chim. Acta., 1970, 50, 2, 315-321, https://doi.org/10.1016/0003-2670(70)80071-X . [all data]

Brown, Chapman, et al., 1968
Brown, I.; Chapman, I.L.; Nicholson, G.J., Gas chromatography of polar solutes in electron acceptor stationary phases, Aust. J. Chem., 1968, 21, 5, 1125-1141, https://doi.org/10.1071/CH9681125 . [all data]

von Kováts, 1958
von Kováts, E., 206. Gas-chromatographische Charakterisierung organischer Verbindungen. Teil 1: Retentionsindices aliphatischer Halogenide, Alkohole, Aldehyde und Ketone, Helv. Chim. Acta, 1958, 41, 7, 1915-1932, https://doi.org/10.1002/hlca.19580410703 . [all data]

Takeoka, Flath, et al., 1990
Takeoka, G.R.; Flath, R.A.; Mon, T.R.; Teranishi, R.; Guentert, M., Volatile Constituents of Apricot (Prunus armeniaca), J. Agric. Food Chem., 1990, 38, 2, 471-477, https://doi.org/10.1021/jf00092a031 . [all data]

Castello, Timossi, et al., 1988
Castello, G.; Timossi, A.; Gerbino, T.C., Gas Chromatographic Separation of Halogenated Compounds on Non-Polar and Polar Wide Bore Capillary Columns, J. Chromatogr., 1988, 454, 129-143, https://doi.org/10.1016/S0021-9673(00)88608-2 . [all data]

Castello, Vezzani, et al., 1991
Castello, G.; Vezzani, S.; Gerbino, T., Gas chromatographic separation and automatic identification of complex mixtures of organic solvents in indrustrial wates, J. Chromatogr., 1991, 585, 2, 273-280, https://doi.org/10.1016/0021-9673(91)85088-W . [all data]

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]

Anderson, Jurel, et al., 1973
Anderson, A.; Jurel, S.; Shymanska, M.; Golender, L., Gas-liquid chromatography of some aliphatic and heterocyclic mono- and pollyfunctional amines. VII. Retention indices of amines in some polar and unpolar stationary phases, Latv. PSR Zinat. Akad. Vestis Kim. Ser., 1973, 1, 51-63. [all data]

Zarazir, Chovin, et al., 1970
Zarazir, D.; Chovin, P.; Guiochon, G., Identification of hydroxylic compounds and their derivatives by gas chromatography, Chromatographia, 1970, 3, 4, 180-195, https://doi.org/10.1007/BF02269018 . [all data]

Bonastre and Grenier, 1968
Bonastre, J.; Grenier, P., Contribution à l'étude de la polarité des phases stationnaires en chromatographie gaz-liquide. III. Calcul des coefficients d'activité relatifs et des indices de rétention de quelques alcools aliphatiques, Bull. Soc. Chim. Fr., 1968, 1, 118-125. [all data]

Shimoda and Shibamoto, 1990
Shimoda, M.; Shibamoto, T., Isolation and identification of headspace volatiles from brewed coffee with an on-column GC/MS method, J. Agric. Food Chem., 1990, 38, 3, 802-804, https://doi.org/10.1021/jf00093a045 . [all data]

Umano, Shoji, et al., 1986
Umano, K.; Shoji, A.; Hagi, Y.; Shibamoto, T., Volatile constituents of peel of quince fruit, Cydonia oblonga Miller, J. Agric. Food Chem., 1986, 34, 4, 593-596, https://doi.org/10.1021/jf00070a003 . [all data]

Galt and MacLeod, 1984
Galt, A.M.; MacLeod, G., Headspace sampling of cooked beef aroma using Tenax GC, J. Agric. Food Chem., 1984, 32, 1, 59-64, https://doi.org/10.1021/jf00121a016 . [all data]

Slizhov and Gavrilenko, 2001
Slizhov, Yu.G.; Gavrilenko, M.A., Effect of thermal treatment of poly(ethylene glycol) modified with europium acetylacetonate on its chromatographic properties, Russ. J. Phys. Chem. (Engl. Transl.), 2001, 75, 6, 1012-1013. [all data]

Brander, Kepner, et al., 1980
Brander, C.F.; Kepner, R.E.; Webb, A.D., Identification of Some Volatile Compounds of Wine of Vitis Vinifera Cultivar Pinot Noir, Am. J. Enol. Vitic, 1980, 31, 1, 69-75. [all data]

Censullo, Jones, et al., 2003
Censullo, A.C.; Jones, D.R.; Wills, M.T., Speciation of the volatile organic compounds (VOCs) in solventborne aerosol coatings by solid phase microextraction-gas chromatography, J. Coat. Technol., 2003, 75, 936, 47-53, https://doi.org/10.1007/BF02697922 . [all data]

Pino and Marbot, 2001
Pino, J.A.; Marbot, R., Volatile flavor constituents of acerola (Malpighia emarginata DC.) fruit, J. Agric. Food Chem., 2001, 49, 12, 5880-5882, https://doi.org/10.1021/jf010270g . [all data]

Bartelt, 1997
Bartelt, R.J., Calibration of a commercial solid-phase microextraction device for measuring headspace concentrations of organic volatiles, Anal. Chem., 1997, 69, 3, 364-372, https://doi.org/10.1021/ac960820n . [all data]

Peng, 1992
Peng, C.T., A method for tentative identificatoin of unknown gas chromatographic peaks by retention index, J. Radioanal. Nucl. Chem., 1992, 160, 2, 449-460, https://doi.org/10.1007/BF02037120 . [all data]

Korhonen, 1985
Korhonen, I.O.O., Gas-liquid chromatographic analyses. XXXIX. «omega»-Chloroethanols on low-polarity (SE-30) and polar (OV-351) capillary columns, J. Chromatogr., 1985, 324, 181-191, https://doi.org/10.1016/S0021-9673(01)81317-0 . [all data]

Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Maltby, D., Prediction of retention indexes. III. Silylated derivatives of polar compounds, J. Chromatogr., 1991, 586, 1, 113-129, https://doi.org/10.1016/0021-9673(91)80029-G . [all data]

Peng, Ding, et al., 1988
Peng, C.T.; Ding, S.F.; Hua, R.L.; Yang, Z.C., Prediction of Retention Indexes I. Structure-Retention Index Relationship on Apolar Columns, J. Chromatogr., 1988, 436, 137-172, https://doi.org/10.1016/S0021-9673(00)94575-8 . [all data]

Jarunrattanasri, Theerakulkait, et al., 2007
Jarunrattanasri, A.; Theerakulkait, C.; Cadwallader, K.R., Aroma Components of Acid-Hydrolyzed Vegetable Protein Made by Partial Hydrolysis of Rice Bran Protein, J. Agric. Food Chem., 2007, 55, 8, 3044-3050, https://doi.org/10.1021/jf0631474 . [all data]

Mahattanatawee K., Perez-Cacho P.R., et al., 2007
Mahattanatawee K.; Perez-Cacho P.R.; Davenport T.; Rouseff R., Comparison of three lychee cultivar odor profiles using gas chromatography-olfactometry and gas chromatography-sulfur detection, J. Agric. Food Chem., 2007, 55, 5, 1939-1944, https://doi.org/10.1021/jf062925p . [all data]

Gurbuz O., Rouseff J.M., et al., 2006
Gurbuz O.; Rouseff J.M.; Rouseff R.L., Comparison of aroma volatiles in commercial Merlot and Cabernet Sauvignon wines using gas chromatography - Olfactometry and gas chromatography - Mass spectrometry, J. Agric. Food Chem., 2006, 54, 11, 3990-3996, https://doi.org/10.1021/jf053278p . [all data]

Kourkoutas, Elmore, et al., 2006
Kourkoutas, D.; Elmore, J.S.; Mottram, D.S., Comparison of the volatile compositions and flavour properties of cantaloupe, Galia and honeydew muskmelons, Food Chem., 2006, 97, 1, 95-102, https://doi.org/10.1016/j.foodchem.2005.03.026 . [all data]

Chung, Fung, et al., 2005
Chung, H.Y.; Fung, P.K.; Kim, J.-S., Aroma impact components in commercial plain sufu, J. Agric. Food Chem., 2005, 53, 5, 1684-1691, https://doi.org/10.1021/jf048617d . [all data]

Malliaa, Fernandez-Garcia, et al., 2005
Malliaa, S.; Fernandez-Garcia, E.; Bosset, J.O., Comparison of purge and trap and solid phase microextraction techniques for studying the volatile aroma compounds of three European PDO hard cheeses, Int. Dairy J., 2005, 15, 6-9, 741-758, https://doi.org/10.1016/j.idairyj.2004.11.007 . [all data]

Brat, Rega, et al., 2003
Brat, P.; Rega, B.; Alter, P.; Reynes, M.; Brillouet, J.-M., Distribution of volatile compounds in the pulp, cloud, and serum of freshly squeezed orange juice, J. Agric. Food Chem., 2003, 51, 11, 3442-3447, https://doi.org/10.1021/jf026226y . [all data]

Cha, Kim, et al., 1998
Cha, Y.J.; Kim, H.; Cadwallader, K.R., Aroma-active compounds in Kimchi during fermentation, J. Agric. Food Chem., 1998, 46, 5, 1944-1953, https://doi.org/10.1021/jf9706991 . [all data]

Ott, Fay, et al., 1997
Ott, A.; Fay, L.B.; Chaintreau, A., Determination and origin of the aroma impact compounds of yogurt flavor, J. Agric. Food Chem., 1997, 45, 3, 850-858, https://doi.org/10.1021/jf960508e . [all data]

Shimoda, Shiratsuchi, et al., 1996
Shimoda, M.; Shiratsuchi, H.; Nakada, Y.; Wu, Y.; Osajima, Y., Identification and sensory characterization of volatile flavor compounds in sesame seed oil, J. Agric. Food Chem., 1996, 44, 12, 3909-3912, https://doi.org/10.1021/jf960115f . [all data]

Shimoda, Shigematsu, et al., 1995
Shimoda, M.; Shigematsu, H.; Shiratsuchi, H.; Osajima, Y., Comparison of the odor concentrates by SDE and adsorptive column method from green tea infusion, J. Agric. Food Chem., 1995, 43, 6, 1616-1620, https://doi.org/10.1021/jf00054a037 . [all data]

Iwaoka, Hagi, et al., 1994
Iwaoka, W.; Hagi, Y.; Umano, K.; Shibamoto, T., Volatile chemicals identified in fresh and cooked breadfruit, J. Agric. Food Chem., 1994, 42, 4, 975-976, https://doi.org/10.1021/jf00040a026 . [all data]

Shiratsuchi, Shimoda, et al., 1994
Shiratsuchi, H.; Shimoda, M.; Imayoshi, K.; Noda, K.; Osajima, Y., Off-flavor compounds in spray-dried skim milk powder, J. Agric. Food Chem., 1994, 42, 6, 1323-1327, https://doi.org/10.1021/jf00042a014 . [all data]

Shiratsuchi, Shimoda, et al., 1994, 2
Shiratsuchi, H.; Shimoda, M.; Imayoshi, K.; Noda, K.; Osajima, Y., Volatile flavor compounds in spray-dried skim milk powder, J. Agric. Food Chem., 1994, 42, 4, 984-988, https://doi.org/10.1021/jf00040a028 . [all data]

Chung, Eiserich, et al., 1993
Chung, T.Y.; Eiserich, J.P.; Shibamoto, T., Volatile compounds isolated from edible Korean chamchwi (Aster scaber Thunb), J. Agric. Food Chem., 1993, 41, 10, 1693-1697, https://doi.org/10.1021/jf00034a033 . [all data]

Shiratsuchi, Shimoda, et al., 1993
Shiratsuchi, H.; Shimoda, M.; Minegishi, Y.; Osajima, Y., Isolation and identification of volatile flavor compounds in nonfermented coarse-cut sausage. Flavor as a quality factor of nonfermented sausage. 1, J. Agric. Food Chem., 1993, 41, 4, 647-652, https://doi.org/10.1021/jf00028a027 . [all data]

Stashenko, Macku, et al., 1992
Stashenko, H.; Macku, C.; Shibamato, T., Monitoring volatile chemicals formed from must during yeast fermentation, J. Agric. Food Chem., 1992, 40, 11, 2257-2259, https://doi.org/10.1021/jf00023a040 . [all data]

Chen, Kuo, et al., 1986
Chen, C.-C.; Kuo, M.-C.; Liu, S.-E.; Wu, C.-M., Volatile components of salted and pickled prunes (Prunus mume Sieb. et Zucc.), J. Agric. Food Chem., 1986, 34, 1, 140-144, https://doi.org/10.1021/jf00067a038 . [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]

van den Dool and Kratz, 1963
van den Dool, H.; Kratz, P. Dec., A generalization of the retention index system including linear temperature programmed gas-liquid partition chromatography, J. Chromatogr., 1963, 11, 463-471, https://doi.org/10.1016/S0021-9673(01)80947-X . [all data]

Bianchi, Cantoni, et al., 2007
Bianchi, F.; Cantoni, C.; Careri, M.; Chiesa, L.; Musci, M.; Pinna, A., Characterization of the aromatic profile for the authentication and differentiation of typical Italian dry-sausages, Talanta, 2007, 72, 4, 1552-1563, https://doi.org/10.1016/j.talanta.2007.02.019 . [all data]

Bianchi, Careri, et al., 2007
Bianchi, F.; Careri, M.; Mangia, A.; Musci, M., Retention indices in the analysis of food aroma volatile compounds in temperature-programmed gas chromatography: Database creation and evaluation of precision and robustness, J. Sep. Sci., 2007, 39, 4, 563-572, https://doi.org/10.1002/jssc.200600393 . [all data]

Ranau and Steinhart, 2005
Ranau, R.; Steinhart, H., Identification and evaluation of volatile odor-active pollutants from different odor emission sources in the food industry, Eur. Food Res. Technol., 2005, 220, 2, 226-231, https://doi.org/10.1007/s00217-004-1073-4 . [all data]

Radovic, Careri, et al., 2001
Radovic, B.S.; Careri, M.; Mangia, A.; Musci, M.; Gerboles, M.; Anklam, E., Analytical, nutritional, and clinical methods section. Contribution of dynamic headspace GC-MS analysis of aroma compounds to authenticity testing of honey, Food Chem., 2001, 72, 4, 511-520, https://doi.org/10.1016/S0308-8146(00)00263-6 . [all data]

Yang, Chyau, et al., 1998
Yang, M.-S.; Chyau, C.-C.; Horng, D.-T.; Yang, J.-S., Effects of Irradiation and Drying on Volatile Components of Fresh Shiitake edodes (Lentinus Sing), J. Sci. Food Agric., 1998, 76, 1, 72-76, https://doi.org/10.1002/(SICI)1097-0010(199801)76:1<72::AID-JSFA921>3.0.CO;2-0 . [all data]

Yasuhara, 1987
Yasuhara, A., Identification of Volatile Compounds in Poultry Manure by Gas Chromatography-Mass Spectrometry, J. Chromatogr., 1987, 387, 371-378, https://doi.org/10.1016/S0021-9673(01)94539-X . [all data]

Whitfield, Shea, et al., 1981
Whitfield, F.B.; Shea, S.R.; Gillen, K.J.; Shaw, K.J., Volatile components from the roots of Acacia pulchella R.Br. and their effect on Phytophthora cinnamomi rands, Aust. J. Bot., 1981, 29, 2, 195-208, https://doi.org/10.1071/BT9810195 . [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]

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]

Anderson, 1968
Anderson, D.G., USe of Kovats retention indices and response factors for the qualitative and quantitative analysis of coating solvents, J. Paint Technol., 1968, 40, 527, 549-557. [all data]

Cremer and Nonn, 1964
Cremer, E.; Nonn, H., Kennzahlen zur Identifizierung chromatographisch getrennter Komponenten, Monatsh. Chem., 1964, 3, 3, 910-921, https://doi.org/10.1007/BF00908804 . [all data]

MHA, 9999
MHA, Directorate of ForensicScience., Forensic Toxicology, 9999. [all data]

Bramston-Cook, 2013
Bramston-Cook, R., Kovats indices for C2-C13 hydrocarbons and selected oxygenated/halocarbons with 100 % dimethylpolysiloxane columns, 2013, retrieved from http://lotusinstruments.com/monographs/List .... [all data]

Supelco, 2012
Supelco, CatalogNo. 24160-U, Petrocol DH Columns. Catalog No. 24160-U, 2012, retrieved from http://www.sigmaaldrich.com/etc/medialib/docs/Supelco/Datasheet/1/w97949.Par.0001.File.tmp/w97949.pdf. [all data]

Cais-Sokolinska, Majcher, et al., 2011
Cais-Sokolinska, D.; Majcher, M.; Pikul, J.; Bielinska, S.; Czauderma, M.; Wojtowski, J., The effect of Camelia sativa cake diet supplementation on sensory and volatile profiles of ewe's milk, African J. Biotechnol., 2011, 10, 37, 7245-7252. [all data]

Leffingwell and Alford, 2011
Leffingwell, J.; Alford, E.D., Volatile constituents of the giant pufball mushroom (Calvatia gigantea), Leffingwell Rep., 2011, 4, 1-17. [all data]

Berdague, Tournayre, et al., 2007
Berdague, J.L.; Tournayre, P.; Cambou, S., Novel multi-gas chromatography?olfactometry device and software for the identification of odour-active compounds, J. Chromatogr. A, 2007, 1146, 1, 85-92, https://doi.org/10.1016/j.chroma.2006.12.102 . [all data]

Ramirez R. and Cava R., 2007
Ramirez R.; Cava R., Volatile profiles of dry-cured meat products from three different Iberian x Duroc genotypes, J. Agric. Food Chem., 2007, 55, 5, 1923-1931, https://doi.org/10.1021/jf062810l . [all data]

Vasta, Ratel, et al., 2007
Vasta, V.; Ratel, J.; Engel, E., Mass Spectrometry Analysis of Volatile Compounds in Raw Meat for the Authentication of the Feeding Background of Farm Animals, J. Agric. Food Chem., 2007, 55, 12, 4630-4639, https://doi.org/10.1021/jf063432n . [all data]

Castel, Fernandez, et al., 2006
Castel, C.; Fernandez, X.; Lizzani-Cuvelier, L.; Loiseau, A.-M.; Perichet, C.; Delbecque, C.; Arnaudo, J.-F., Volatile constituents of benzoin gums: Siam and Sumatra, part 2. Study of headspace sampling methods, Flavour Fragr. J., 2006, 21, 1, 59-67, https://doi.org/10.1002/ffj.1502 . [all data]

Isidorov, Purzynska, et al., 2006
Isidorov, V.; Purzynska, A.; Modzelewska, A.; Serowiecka, M., Distribution coefficients of aliphatic alcohols, carbonyl compounds and esters between air and Carboxen/polydimethylsiloxane fiber coating, Anal. Chim. Acta., 2006, 560, 1-2, 103-109, https://doi.org/10.1016/j.aca.2005.12.043 . [all data]

Leffingwell and Alford, 2005
Leffingwell, J.C.; Alford, E.D., Volatile constituents of Perique tobacco, Electron. J. Environ. Agric. Food Chem., 2005, 4, 2, 899-915. [all data]

Ngassoum, Jirovetz, et al., 2001
Ngassoum, M.B.; Jirovetz, L.; Buchbauer, G., SPME/GC/MS analysis of headspace aroma compounds of the Cameroonian fruit Tetrapleura tetraptera (Thonn.) Taub., Eur. Food Res. Technol., 2001, 213, 1, 18-21, https://doi.org/10.1007/s002170100330 . [all data]

Health Safety Executive, 2000
Health Safety Executive, MDHS 96 Volatile organic compounds in air - Laboratory method using pumed solid sorbent tubes, solvent desorption and gas chromatography in Methods for the Determination of Hazardous Substances (MDHS) guidance, Crown, Colegate, Norwich, 2000, 1-24, retrieved from http://www.hse.gov.uk/pubns/mdhs/pdfs/mdhs96.pdf. [all data]

Shoenmakers, Oomen, et al., 2000
Shoenmakers, P.J.; Oomen, J.L.M.M.; Blomberg, J.; Genuit, W.; van Velzen, G., Comparison of comprehensive two-dimensional gas chromatography and gas chromatography-mass spectrometry for the characterization of complex hydrocarbon mixtures, J. Chromatogr. A, 2000, 892, 1-2, 29-46, https://doi.org/10.1016/S0021-9673(00)00744-5 . [all data]

Jung, Wichmann, et al., 1999
Jung, A.; Wichmann, K.-H.; Kolb, M., VOC emission of polymeric packaging materials, LaborPraxis, 1999, 23, 9, 20-22. [all data]

Buttery, Ling, et al., 1997
Buttery, R.G.; Ling, L.C.; Stern, D.J., Studies on popcorn aroma and flavor volatiles, J. Agric. Food Chem., 1997, 45, 3, 837-843, https://doi.org/10.1021/jf9604807 . [all data]

Robacker and Bartelt, 1997
Robacker, D.C.; Bartelt, R.J., Chemicals attractive to Mexican fruit fly from Klebsiella pneumoniae and Citrobacter freundii cultures sampled by solid-phase microextraction MICROEXTRACTION, J. Chem. Ecol., 1997, 23, 12, 2897-2915, https://doi.org/10.1023/A:1022579414233 . [all data]

Hansen, Buttery, et al., 1992
Hansen, M.; Buttery, R.G.; Stern, D.J.; Cantwell, M.I.; Ling, L.C., Broccoli storage under low-oxygen atmosphere: Identification of higher boiling volatiles, J. Agric. Food Chem., 1992, 40, 5, 850-852, https://doi.org/10.1021/jf00017a029 . [all data]

Kotowska, Zalikowski, et al., 2012
Kotowska, U.; Zalikowski, M.; Isidorov, V.A., HS-SPME/GC-MS analysis of volatile and semi-volatile organic compounds emitted from municipal sewage sludge, Environ. Monit. Asses., 2012, 184, 5, 2893-2907, https://doi.org/10.1007/s10661-011-2158-8 . [all data]

Miyazaki, Plotto, et al., 2011
Miyazaki, T.; Plotto, A.; Goodner, K.; Gmitter F.G., Distribution of aroma volatile compounds in tangerine hybrids and proposed inheritance, J. Sci. Food Agric., 2011, 91, 3, 449-460, https://doi.org/10.1002/jsfa.4205 . [all data]

Barra, Baldovini, et al., 2007
Barra, A.; Baldovini, N.; Loiseau, A.-M.; Albino, L.; Lesecq, C.; Cuvelier, L.L., Chemical analysis of French beans (Phaseolus vulgaris L.) by headspace solid phase microextraction (HS-SPME) and simultaneous distillation/extraction (SDE), Food Chem., 2007, 101, 3, 1279-1284, https://doi.org/10.1016/j.foodchem.2005.12.027 . [all data]

Chen and Feng, 2007
Chen, Y.; Feng, C., QSPR study on gas chromatography retention index of some organic pollutants, Comput. Appl. Chem. (China), 2007, 24, 10, 1404-1408. [all data]

Karlshøj, Nielsen, et al., 2007
Karlshøj, K.; Nielsen, P.V.; Larsen, T.O., Prediction of Penicillium expansum Spoilage and Patulin Concentration in Apples Used for Apple Juice Production by Electronic Nose Analysis, J. Agric. Food Chem., 2007, 55, 11, 4289-4298, https://doi.org/10.1021/jf070134x . [all data]

Kou, Zhang, et al., 2006
Kou, J.; Zhang, S.; Hu, Y.; Qiao, H.; Li, J., Stidy on the relationships between structures and gas chromatographic retention indices of alcohols, Comput. Appl. Chem. (Chinese), 2006, 23, 7, 651-654. [all data]

Blunden, Aneja, et al., 2005
Blunden, J.; Aneja, V.P.; Lonneman, W.A., Characterization of non-methane volatile organic compounds at swine facilities in eastern North Carolina, Atm. Environ., 2005, 39, 36, 6707-6718, https://doi.org/10.1016/j.atmosenv.2005.03.053 . [all data]

Thierry, Maillard, et al., 2005
Thierry, A.; Maillard, M.-B.; Bonnarme, P.; Roussel, E., The addition of Propionibacterium freudenreichii to raclette cheese induces biochemical changes and enhances flavor development, J. Agric. Food Chem., 2005, 53, 10, 4157-4165, https://doi.org/10.1021/jf0481195 . [all data]

Fu and Wang, 2004
Fu, S.-P.; Wang, Y.-Q., Estimation and prediction of gas chromatographic retention indices of alcohols by molecular electronegativity-distance vector, J. Chongqing Univ., 2004, 27, 6, 106-109. [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Zenkevich, 1999
Zenkevich, I.G., New Application of the Retention Index Concept in Gas and High Performance Liquid Chromatography, Fresenius' J. Anal. Chem., 1999, 365, 4, 305-309, https://doi.org/10.1007/s002160051491 . [all data]

Flanagan, Streete, et al., 1997
Flanagan, R.J.; Streete, P.J.; Ramsey, J.D., Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56, retrieved from http://www.odccp.org/pdf/technicalseries1997-01-011.pdf. [all data]

Zenkevich and Chupalov, 1996
Zenkevich, I.G.; Chupalov, A.A., New Possibilities of Chromato Mass Pectrometric Identification of Organic Compounds Using Increments of Gas Chromatographic Retention Indices of Molecular Structural Fragments, Zh. Org. Khim. (Rus.), 1996, 32, 5, 656-666. [all data]

Zenkevich, Korolenko, et al., 1995
Zenkevich, I.G.; Korolenko, L.I.; Khralenkova, N.B., Desorption with solvent vapor as a method of sample preparation in the sorption preconcentration of organic-compounds from the air of a working area and from industrial-waste gases, J. Appl. Chem. USSR (Engl. Transl.), 1995, 50, 10, 937-944. [all data]

Schuberth, 1994
Schuberth, J., Joint use of retention index and mass spectrum in postmortem tests for volatile organics by headspace capillary gas chromatography with ion-trap detection, J. Chromatogr. A, 1994, 674, 1-2, 63-71, https://doi.org/10.1016/0021-9673(94)85217-0 . [all data]

Strete, Ruprah, et al., 1992
Strete, P.J.; Ruprah, M.; Ramsey, J.D.; Flanagan, R.J., Detection and identification of volatile substances by headspace capillary gas chromatography to aid the diagnosis of acute poisoning, Analyst, 1992, 117, 7, 1111-1127, https://doi.org/10.1039/an9921701111 . [all data]

Weller and Wolf, 1989
Weller, J.-P.; Wolf, M., Massenspektroskopie und Headspace-GC, Beitr. Gerichtl. Med., 1989, 47, 525-532. [all data]

Takeoka, Flath, et al., 1988
Takeoka, G.R.; Flath, R.A.; Güntert, M.; Jennings, W., Nectarine volatiles: vacuum steam distillation versus headspace sampling, J. Agric. Food Chem., 1988, 36, 3, 553-560, https://doi.org/10.1021/jf00081a037 . [all data]

Ramsey and Flanagan, 1982
Ramsey, J.D.; Flanagan, R.J., Detection and Identification of Volatile Organic Compounds in Blood by Headspace Gas Chromatography as an Aid to the Diagnosis of Solvent Abuse, J. Chromatogr., 1982, 240, 2, 423-444, https://doi.org/10.1016/S0021-9673(00)99622-5 . [all data]

Sun, Siepmann, et al., 2006
Sun, L.; Siepmann, J.I.; Klotz, W.L.; Schure, M.R., retention in gas-liquid chromatography with a polyethylene oxide stationary phase: molecular simulation and experiment, J. Chromatogr. A, 2006, 1126, 1-2, 373-380, https://doi.org/10.1016/j.chroma.2006.05.084 . [all data]

Yabumoto, Jennings, et al., 1977
Yabumoto, K.; Jennings, W.G.; Yamaguchi, M., Gas chromatographic retention as identification criteria, Anal. Biochem., 1977, 78, 1, 244-251, https://doi.org/10.1016/0003-2697(77)90029-X . [all data]

Wanakhachornkrai and Lertsiri, 9999
Wanakhachornkrai, P.; Lertsiri, S., Comparison of determination method for volatile compounds in Thai soy sauce, Analytical, Nutritional and Clinical Methods, 9999, 1-11. [all data]

Budryn, Nebesny, et al., 2011
Budryn, G.; Nebesny, E.; Kula, J.; Majda, T.; Krysiak, W., HS-SPME/GC/MS Profiles of convectively and microwave roasted Ivory Coast Robusta coffee brews, Czech. J. Food Sci., 2011, 29, 2, 151-160. [all data]

Feng, Zhuang, et al., 2011
Feng, T.; Zhuang, H.; Ye, R.; Jin, Z.; Xu, X.; Xie, Z., Analysis of volatile compounds of Mesona Blumes gum/rice extrudates via GC-MS and electronic nose, Sensors and Actuators B: Chemical, 2011, 160, 1, 964-973, https://doi.org/10.1016/j.snb.2011.09.013 . [all data]

Guzman-Geronimo, Lopez, et al., 2008
Guzman-Geronimo, R.; Lopez, M.G.; Dorantes-Alvarez, L., Microwave processing of avocado: volatile flavor profiling and olfactometry, Innvative Food Sci. Eng. Technol., 2008, 9, 501-506. [all data]

Nebesny, Budryn, et al., 2007
Nebesny, E.; Budryn, G.; Kula, J.; Majda, T., The effect of roasting method on headspace composition of robusta coffee bean aroma, Eur. Food Res. Technol., 2007, 225, 1, 9-19, https://doi.org/10.1007/s00217-006-0375-0 . [all data]

Povolo, Contarini, et al., 2007
Povolo, M.; Contarini, G.; Mele, M.; Secchiari, P., Study on the influence of pasture on volatile fraction of Ewes' dairy products by solid-phase microextraction and gas chromatography-mass spectrometry, J. Dairy Sci., 2007, 90, 2, 556-569, https://doi.org/10.3168/jds.S0022-0302(07)71539-4 . [all data]

Tena N., Lazzez A., et al., 2007
Tena N.; Lazzez A.; Aparicio-Ruiz R.; Garcia-Gonzalez D.L., Volatile compounds characterizing tunisian chemiali and chetoui virgin olive oils, J. Agric. Food Chem., 2007, 55, 19, 7852-7858, https://doi.org/10.1021/jf071030p . [all data]

Wei A. and Shibamoto T., 2007
Wei A.; Shibamoto T., Antioxidant activities and volatile constituents of various essential oils, J. Agric. Food Chem., 2007, 55, 5, 1737-1742, https://doi.org/10.1021/jf062959x . [all data]

de la Fuente, Martinez-Castro, et al., 2005
de la Fuente, E.; Martinez-Castro, I.; Sanz, J., Characterization of Spanish unifloral honeys by solid phase microextraction and gas chromatography-mass spectrometry, J. Sep. Sci., 2005, 28, 9-10, 1093-1100, https://doi.org/10.1002/jssc.200500018 . [all data]

Jirovetz, Buchbauer, et al., 2005
Jirovetz, L.; Buchbauer, G.; Ngassoum, M.B.; Parmentier, M., Chemical composition and olfactory characterization of essential oils of fruits and seeds of African pear (Dacryodes edulis (G. Don) H. J. Lam) from Cameroon, Flavour Fragr. J., 2005, 20, 2, 215-218, https://doi.org/10.1002/ffj.1324 . [all data]

Jirovetz, Buchbauer, et al., 2005, 2
Jirovetz, L.; Buchbauer, G.; Stoyanova, A.; Balinova, A.; Guangjiun, Z.; Xihan, M., Solid phase microextraction/gas chromatographic and olfactory analysis of the scent and fixative properties of the essential oil of Rosa damascena L. from China, Flavour Fragr. J., 2005, 20, 1, 7-12, https://doi.org/10.1002/ffj.1375 . [all data]

Njoroge, Koaze, et al., 2005
Njoroge, S.M.; Koaze, H.; Karanja, P.N.; Sawamura, M., Essential oil constituents of three varieties of Kenyan sweet oranges (Citrus sinensis), Flavour Fragr. J., 2005, 20, 1, 80-85, https://doi.org/10.1002/ffj.1377 . [all data]

Qian and Wang, 2005
Qian, M.C.; Wang, Y., Seasonal Variations of Volatile Composition and Odor Activity Value of Marion (Rubus spp. hyb) and Thornless Evergreen (R.laciniatus L.) Blackberries, J. Food. Sci., 2005, 70, 1, c13-c20, https://doi.org/10.1111/j.1365-2621.2005.tb09013.x . [all data]

Rizzolo, Cambiaghi, et al., 2005
Rizzolo, A.; Cambiaghi, P.; Grassi, M.; Zerbini, P.E., Influence of 1-Methylcyclopropene and Storage Atmosphere on Changes in Volatile Compounds and Fruit Quality of Conference Pears, J. Agric. Food Chem., 2005, 53, 25, 9781-9789, https://doi.org/10.1021/jf051339d . [all data]

Chida, Sone, et al., 2004
Chida, M.; Sone, Y.; Tamura, H., Aroma characteristics of stored tobacco cut leaves analyzed by a high vacuum distillation and canister system, J. Agric. Food Chem., 2004, 52, 26, 7918-7924, https://doi.org/10.1021/jf049223p . [all data]

López, Guzmán, et al., 2004
López, M.G.; Guzmán, G.R.; Dorantes, A.L., Solid-phase microextraction and gas chromatography-mass spectrometry of volatile compounds from avocado puree after microwave processing, J. Chromatogr. A, 2004, 1036, 1, 87-90, https://doi.org/10.1016/j.chroma.2004.03.020 . [all data]

Narain, Almeida, et al., 2004
Narain, N.; Almeida, J.N.; Galvão, M.S.; Madruga, M.S.; de Brito, E.S., Volatile compounds in passion fruit (Passiflora edulis forma Flavicarpa) and yellow mombin (Spondias mombin L.) fruits obtained by dynamic headspace technique, Cienc. Tecnol. Aliment. Campinas, 2004, 24, 2, 212-216, https://doi.org/10.1590/S0101-20612004000200009 . [all data]

Alves and Franco, 2003
Alves, G.L.; Franco, M.R.B., Headspace gas chromatography-mass spectrometry of volatile compounds in murici (Byrsonima crassifolia L. Rich), J. Chromatogr. A, 2003, 985, 1-2, 297-301, https://doi.org/10.1016/S0021-9673(02)01398-5 . [all data]

Tanaka, Yamauchi, et al., 2003
Tanaka, T.; Yamauchi, T.; Katsumata, R.; Kiuchi, K., Comparison of volatile components in commercial Itohiki-Natto by solid phase microextraction and gas chromatography, Nippon Shokuhin Kagaku Kogaku Kaishi, 2003, 50, 6, 278-285, https://doi.org/10.3136/nskkk.50.278 . [all data]

Vichi, Castellote, et al., 2003
Vichi, S.; Castellote, A.I.; Pizzale, L.; Conte, L.S.; Buxaderas, S.; López-Tamames, E., Analysis of virgin olive oil volatile compounds by headspace solid-phase microextraction coupled to gas chromatography with mass spectrometric and flame ionization detection, J. Chromatogr. A, 2003, 983, 1-2, 19-33, https://doi.org/10.1016/S0021-9673(02)01691-6 . [all data]

Vichi, Pizzale, et al., 2003
Vichi, S.; Pizzale, L.; Conte, L.S.; Buxaderas, S.; López-Tamames, E., Solid-phase microextraction in the analysis of virgin olive oil volatile fraction: modifications induced by oxidation and suitable markers of oxidative status, J. Agric. Food Chem., 2003, 51, 22, 6564-6571, https://doi.org/10.1021/jf030268k . [all data]

Vichi, Pizzale, et al., 2003, 2
Vichi, S.; Pizzale, L.; Conte, L.S.; Buxaderas, S.; López-Tamames, E., Solid-phase microextraction in the analysis of virgin olive oil volatile fraction: characterization of virgin olive oils from two distinct geographical areas of Northern Italy, J. Agric. Food Chem., 2003, 51, 22, 6572-6577, https://doi.org/10.1021/jf030269c . [all data]

Wanakhachornkrai and Lertsiri, 2003
Wanakhachornkrai, P.; Lertsiri, S., Analytical, nutritional, and clinical methods. Comparison of determination method for volatile compounds in Thai soy sauce, Food Chem., 2003, 83, 4, 619-629, https://doi.org/10.1016/S0308-8146(03)00256-5 . [all data]

Fu, Yoon, et al., 2002
Fu, S.-G.; Yoon, Y.; Basemore, R., Aroma-actie components in fermented bamboo shoots, J. Agric. Food Chem., 2002, 50, 3, 549-554, https://doi.org/10.1021/jf010883t . [all data]

Hayata, Sakamoto, et al., 2002
Hayata, Y.; Sakamoto, T.; Kozuka, H.; Sakamoto, K.; Osajima, Y., Analysis of aromatic volatile compounds in 'Miyabi' melon (Cucumis melo L.) using the Porapak Q column, J. Jpn. Soc. Hortic. Sci., 2002, 71, 4, 517-525, https://doi.org/10.2503/jjshs.71.517 . [all data]

Ito, Sugimoto, et al., 2002
Ito, Y.; Sugimoto, A.; Kakuda, T.; Kubota, K., Identification of potent odorants in Chinese jasmine green tea scented with flowers of Jasminum sambac, J. Agric. Food Chem., 2002, 50, 17, 4878-4884, https://doi.org/10.1021/jf020282h . [all data]

Lecanu, Ducruet, et al., 2002
Lecanu, L.; Ducruet, V.; Jouquand, C.; Gratadoux, J.J.; Feigenbaum, A., Optimization of headspace solid-phase microextraction (SPME) for the odor analysis of surface-ripened cheese, J. Agric. Food Chem., 2002, 50, 13, 3810-3817, https://doi.org/10.1021/jf0117107 . [all data]

Qian and Reineccius, 2002
Qian, M.; Reineccius, G., Identification of aroma compounds in Parmigiano-Reggiano cheese by gas chromatography/olfactometry, J. Dairy Sci., 2002, 85, 6, 1362-1369, https://doi.org/10.3168/jds.S0022-0302(02)74202-1 . [all data]

Sanz, Maeztu, et al., 2002
Sanz, C.; Maeztu, L.; Zapelena, M.J.; Bello, J.; Cid, C., Profiles of volatile compounds and sensory analysis of three blends of coffee: influence of different proportions of Arabica and Robusta and influence of roasting coffee with sugar, J. Sci. Food Agric., 2002, 82, 8, 840-847, https://doi.org/10.1002/jsfa.1110 . [all data]

Umano, Hagi, et al., 2002
Umano, K.; Hagi, Y.; Shibamoto, T., Volatile chemicals identified in extracts from newly hybrid citrus, dekopon (Shiranuhi mandarin Suppl. J.), J. Agric. Food Chem., 2002, 50, 19, 5355-5359, https://doi.org/10.1021/jf0203951 . [all data]

Maeztu, Sanz, et al., 2001
Maeztu, L.; Sanz, C.; Andueza, S.; de Peña, M.P.; Bello, J.; Cid, C., Characterization of espresso coffee aroma by static headspace GC-MS and sensory flavor profile, J. Agric. Food Chem., 2001, 49, 11, 5437-5444, https://doi.org/10.1021/jf0107959 . [all data]

Sanz, Ansorena, et al., 2001
Sanz, C.; Ansorena, D.; Bello, J.; Cid, C., Optimizing headspace temperature and time sampling for identification of volatile compounds in ground roasted Arabica coffee, J. Agric. Food Chem., 2001, 49, 3, 1364-1369, https://doi.org/10.1021/jf001100r . [all data]

Wei, Mura, et al., 2001
Wei, A.; Mura, K.; Shibamoto, T., Antioxidative activity of volatile chemicals extracted from beer, J. Agric. Food Chem., 2001, 49, 8, 4097-4101, https://doi.org/10.1021/jf010325e . [all data]

Tamura, Boonbumrung, et al., 2000
Tamura, H.; Boonbumrung, S.; Yoshizawa, T.; Varanyanond, W., Volatile components of the essential oil in the pulp of four yellow mangoes (Mangifera indica L.) in Thailand, Food Sci. Technol. Res., 2000, 6, 1, 68-73, https://doi.org/10.3136/fstr.6.68 . [all data]

Hwan and Chou, 1999
Hwan, C.-H.; Chou, C.-C., Volatile components of the Chinese fermented soya bean curd as affected by the addition of ethanol in ageing solution, J. Sci. Food Agric., 1999, 79, 2, 243-248, https://doi.org/10.1002/(SICI)1097-0010(199902)79:2<243::AID-JSFA179>3.0.CO;2-I . [all data]

Campeanu, Burcea, et al., 1998
Campeanu, G.; Burcea, M.; Doneanu, C.; Namolosanu, I.; Visan, L., GC/MS characterization of the volatiles isolated from the wines obtained from the indigenous cultivar Feteasca Regala, Analusis, 1998, 26, 2, 93-97, https://doi.org/10.1051/analusis:1998117 . [all data]

Petersen, Poll, et al., 1998
Petersen, M.A.; Poll, L.; Larsen, L.M., Comparison of volatiles in raw and boiled potatoes using a mild extraction technique combined with GC odour profiling and GC-MS, Food Chem., 1998, 61, 4, 461-466, https://doi.org/10.1016/S0308-8146(97)00119-2 . [all data]

Sekiwa, Kubota, et al., 1997
Sekiwa, Y.; Kubota, K.; Kobayashi, A., Characteristic flavor components in the brew of cooked clam (Meretrix lusoria) and the effect of storage on flavor formation, J. Agric. Food Chem., 1997, 45, 3, 826-830, https://doi.org/10.1021/jf960433e . [all data]

Wada and Shibamoto, 1997
Wada, K.; Shibamoto, T., Isolation and identification of volatile compounds from a wine using solid phase extraction, gas chromatography, and gas chromatography/mass spectrometry, J. Agric. Food Chem., 1997, 45, 11, 4362-4366, https://doi.org/10.1021/jf970157j . [all data]

Kubota, Matsujage, et al., 1996
Kubota, K.; Matsujage, Y.; Sekiwa, Y.; Kobayashi, A., Identification of the characteristic volatile flavor compounds formed by cooking squid (Todarodes pacificus Steenstrup), Food Sci. Technol., 1996, 2, 3, 163-166. [all data]

Shuichi, Masazumi, et al., 1996
Shuichi, H.; Masazumi, N.; Hiromu, K.; Kiyoshi, F., Comparison of volatile compounds berween the crude drugs, Onji-tsutsu and Onji-niki, Nippon nogei kagaku kaishi, 1996, 70, 2, 151-160. [all data]

Young, Gilbert, et al., 1996
Young, H.; Gilbert, J.M.; Murray, S.H.; Ball, R.D., Causal effects of aroma compounds on Royal Gala apple flavours, J. Sci. Food Agric., 1996, 71, 3, 329-336, https://doi.org/10.1002/(SICI)1097-0010(199607)71:3<329::AID-JSFA588>3.0.CO;2-8 . [all data]

Umano, Hagi, et al., 1995
Umano, K.; Hagi, Y.; Nakahara, K.; Shyoji, A.; Shibamoto, T., Volatile chemicals formed in the headspace of a heated D-glucose/L-cysteine Maillard model system, J. Agric. Food Chem., 1995, 43, 8, 2212-2218, https://doi.org/10.1021/jf00056a046 . [all data]

Kawakami, Kobayashi, et al., 1993
Kawakami, M.; Kobayashi, A.; Kator, K., Volatile constituents of Rooibos tea (Aspalathus linearis) as affected by extraction process, J. Agric. Food Chem., 1993, 41, 4, 633-636, https://doi.org/10.1021/jf00028a023 . [all data]

Shimoda, Shiratsuchi, et al., 1993
Shimoda, M.; Shiratsuchi, H.; Minegishi, Y.; Osajima, Y., Flavor deterioration of nonfermented coarse-cut sausage during storage. Flavor as a factor of quality for nonfermented sausage. 2, J. Agric. Food Chem., 1993, 41, 6, 946-950, https://doi.org/10.1021/jf00030a021 . [all data]

Kawakami and Kobayashi, 1991
Kawakami, M.; Kobayashi, A., Volatitle constituents of greem mate and roasted mate, J. Agric. Food Chem., 1991, 39, 7, 1275-1279, https://doi.org/10.1021/jf00007a016 . [all data]

Kubota, Nakamoto, et al., 1991
Kubota, K.; Nakamoto, A.; Moriguchi, M.; Kobayashi, A.; Ishii, H., Formation of pyrrolidino[1,2-e]-4H-2,4-dimethyl-1,3,5-dithiazine in the volatiles of boiled short-necked clam, clam, and corbicula, J. Agric. Food Chem., 1991, 39, 6, 1127-1130, https://doi.org/10.1021/jf00006a027 . [all data]

Anker, Jurs, et al., 1990
Anker, L.S.; Jurs, P.C.; Edwards, P.A., Quantitative structure-retention relationship studies of odor-active aliphatic compounds with oxygen-containing functional groups, Anal. Chem., 1990, 62, 24, 2676-2684, https://doi.org/10.1021/ac00223a006 . [all data]

Takeoka and Butter, 1989
Takeoka, G.; Butter, R.G., Volatile constituents of pineapple (Ananas Comosus [L.] Merr.) in Flavor Chemistry. Trends and Developments, Teranishi,R.; Buttery,R.G.; Shahidi,F., ed(s)., American Chemical Society, Washington, DC, 1989, 223-237. [all data]

Vernin, Metzger, et al., 1988
Vernin, G.; Metzger, J.; Obretenov, T.; Suon, K.-N.; Fraisse, D., GC/MS (EI,PCI,SIM)-data bank analysis of volatile compounds arising from thermal degradation of glucose-valine amadori intermediates in Flavors and Fragrances: A World Perspective. Proceedings of the 10th International Congress of Essential Oils, Fragrances and Flavors, Lawrence,B.M.; Mookherjee,B.D.; Willis,B.J., ed(s)., Elsevier, New York, 1988, 999-1028. [all data]

MacLeod and Snyder, 1985
MacLeod, A.J.; Snyder, C.H., Volatile components of two cultivars of mango from Florida, J. Agric. Food Chem., 1985, 33, 3, 380-384, https://doi.org/10.1021/jf00063a015 . [all data]

Gyawali and Kim, 2012
Gyawali, R.; Kim, K.-S., Bioactive volatile compounds of three medicinal plants from Nepal, Kathmandu Univ. J. Sci., Engineering and Technol., 2012, 8, 1, 51-62. [all data]

Lee, Chong, et al., 2012
Lee, P.-R.; Chong, I.S.-M.; Yu, B.; Curran, P.; Liu, S.-Q., Effect of precursors on volatile compounds in Papaya wine fermented by mixed yeasts, Uncorrected proof, 2012, 000-000. [all data]

Povolo, Cabassi, et al., 2011
Povolo, M.; Cabassi, G.; Profaizer, M.; Lanteri, S., Study on the use of evolved gas analysis FT-IR (EGA FT-IR) for the evaluation of cheese volatile fraction, The Open Food Sci. J., 2011, 5, 1, 10-16, https://doi.org/10.2174/1874256401105010010 . [all data]

Cajka, Riddellova, et al., 2010
Cajka, T.; Riddellova, K.; Klimankova, E.; Carna, M.; Pudil, F.; Hajslova, J., Traceability of olive oil based on volatiles pattern and multivariante analysis, Food Chem., 2010, 121, 1, 282-289, https://doi.org/10.1016/j.foodchem.2009.12.011 . [all data]

Vekiari, Orepoulou, et al., 2010
Vekiari, S.A.; Orepoulou, V.; Kourkoutas, Y.; Kamoun, N.; Msallem, M.; Psimouli, V.; Arapoglou, D., Characterization and seasonal variations of the quality of virgin olive oil of the Thoumbolia and Koroneiki varieties from Southern Greece, Grasas y Aceites, 2010, 61, 3, 221-231, https://doi.org/10.3989/gya.108709 . [all data]

Gyawali and Kim, 2009
Gyawali, R.; Kim, K.-S., Volatile organic compounds of medicinal values from Nepalese Acorus calamus L., Kathmandu Univ. J. Sci. Eng. Technol., 2009, 5, II, 51-65. [all data]

Ortiz, Echeverra, et al., 2009
Ortiz, A.; Echeverra, G.; Graell, J.; Lara, I., Calcium dips enhance volatile emission of cold-stored Fuji Kiki-8 apples, J. Agric. Food Chem., 2009, 57, 11, 4931-4938, https://doi.org/10.1021/jf9003576 . [all data]

Soria, Martinez-Castro, et al., 2008
Soria, A.C.; Martinez-Castro, I.; Sanz, J., Some aspects of dynamic headspace analysis of volatile components in honey, Foog Res. International, 2008, 41, 8, 838-848, https://doi.org/10.1016/j.foodres.2008.07.010 . [all data]

Zhang, Zhang, et al., 2008
Zhang, C.; Zhang, H.; Wang, L.; Guo, X., Effect of carrot (Daucus carota) antifreeze proteins on texture preperties of frozen dough and volatile compounds of crumb, Food. Sci. Technol. (Lebesmittel-Wissenschaft und Technologie), 2008, 41, 6, 1029-1036, https://doi.org/10.1016/j.lwt.2007.07.010 . [all data]

Berard, Bianchi, et al., 2007
Berard, J.; Bianchi, F.; Careri, M.; Chatel, A.; Mangia, A.; Musci, M., Characterization of the volatile fraction and of free fatty acids of Fontina Valle d'Aosta, a protected designation of origin Italian cheese, Food Chem., 2007, 105, 1, 293-300, https://doi.org/10.1016/j.foodchem.2006.11.041 . [all data]

Dury-Brun, Fournier, et al., 2007
Dury-Brun, C.; Fournier, N.; Pernin, K.; Guichard, E.; Voilley, A., A new approach to studying sponge cake aroma after storage in treated paper and plastic packaging by direct gas chromatography?olfactometry (D-GC-O), Flavour Fragr. J., 2007, 22, 4, 255-264, https://doi.org/10.1002/ffj.1788 . [all data]

Gonzalez-Rios, Suarez-Quiroz, et al., 2007
Gonzalez-Rios, O.; Suarez-Quiroz, M.L.; Boulanger, R.; Barel, M.; Guyot, B.; Guiraud, J.-P.; Schorr-Galindo, S., Impact of ecological post-harvest processing of coffee aroma: II Roasted coffee., J. Food Composition Analysis, 2007, 20, 3-4, 297-307, https://doi.org/10.1016/j.jfca.2006.12.004 . [all data]

Lara, Echeverría, et al., 2007
Lara, I.; Echeverría, G.; Graell, J.; López, M.L., Volatile Emission after Controlled Atmosphere Storage of Mondial Gala Apples (Malus domestica): Relationship to Some Involved Enzyme Activities, J. Agric. Food Chem., 2007, 55, 15, 6087-6095, https://doi.org/10.1021/jf070464h . [all data]

Narain, Galvao, et al., 2007
Narain, N.; Galvao, M. deS.; Ferreira, D.DaS.; Navarro, D.M.A.F., Flavor biogeneration in Mangaba (Hancornia speciosa Gomes) fruit, BioEng. Campinas, 2007, 1, 1, 25-31. [all data]

Pontes, Marques, et al., 2007
Pontes, M.; Marques, J.C.; Camara, J.S., Screening of volatile composition from Portuguese multifloral honeys using headspace solid-phase microextraction-gas chromatography-quadrupole mass spectrometry, Talanta, 2007, 74, 1, 91-103, https://doi.org/10.1016/j.talanta.2007.05.037 . [all data]

Zhang C., Zhang H., et al., 2007
Zhang C.; Zhang H.; Wang L.; Gao H.; Guo X.N.; Yao H.Y., Improvement of texture properties and flavor of frozen dough by carrot (Daucus carota) antifreeze protein supplementation, J. Agric. Food Chem., 2007, 55, 23, 9620-9626, https://doi.org/10.1021/jf0717034 . [all data]

Gyawalia, Seo, et al., 2006
Gyawalia, R.; Seo, H.-Y.; Lee, H.-J.; Song, H.-P.; Kim, D.-H.; Byun, M.-W.; Kim, K.-S., Effect of «gamma»-irradiation on volatile compounds of dried Welsh onion (Allium fistulosum L.), Radiat. Phys. Chem., 2006, 75, 2, 322-328, https://doi.org/10.1016/j.radphyschem.2005.07.001 . [all data]

Kourkoutas, Bosnea, et al., 2006
Kourkoutas, Y.; Bosnea, L.; Taboukos, S.; Baras, C.; Lambrou, D.; Kanellaki, M., Probiotic Cheese Production Using Lactobacillus casei Cells Immobilized on Fruit Pieces, J. Dairy Sci., 2006, 89, 5, 1439-1451, https://doi.org/10.3168/jds.S0022-0302(06)72212-3 . [all data]

Kourkoutas, Kandylis, et al., 2006
Kourkoutas, Y.; Kandylis, P.; Panas, P.; Dooley, J.S.G.; Nigam, P.; Koutinas, A.A., Evaluation of freeze-dried kefir coculture as starter in feta-type cheese production, Appl. Environ. Microbiol., 2006, 72, 9, 6124-6135, https://doi.org/10.1128/AEM.03078-05 . [all data]

Lara, Graell, et al., 2006
Lara, I.; Graell, J.; López, M.L.; Echeverría, G., Multivariate analysis of modifications in biosynthesis of volatile compounds after CA storage of 'Fuji' apples, Postharvest Biol. Technol., 2006, 39, 1, 19-28, https://doi.org/10.1016/j.postharvbio.2005.09.001 . [all data]

Mattheis, Fan, et al., 2005
Mattheis, J.P.; Fan, X.; Argenta, L.C., Interactive Responses of Gala Apple Fruit Volatile Production to Controlled Atmosphere Storage and Chemical Inhibition of Ethylene Action, J. Agric. Food Chem., 2005, 53, 11, 4510-4516, https://doi.org/10.1021/jf050121o . [all data]

Buettner, 2004
Buettner, A., Investigation of potent odorants and afterodor development in two chardonnay wines using the Buccal Odor Screening System (BOSS), J. Agric. Food Chem., 2004, 52, 8, 2339-2346, https://doi.org/10.1021/jf035322b . [all data]

Echeverría, Correa, et al., 2004
Echeverría, G.; Correa, E.; Ruiz-Altisent, M.; Graell, J.; Puy, J.; López, L., Characterization of Fuji apples from different harvest dates and storage conditions from measurements of volatiles by gas chromatography and electronic nose, J. Agric. Food Chem., 2004, 52, 10, 3069-3076, https://doi.org/10.1021/jf035271i . [all data]

Kim. J.H., Ahn, et al., 2004
Kim. J.H.; Ahn, H.J.; Yook, H.S.; Kim, K.S.; Rhee, M.S.; Ryu, G.H.; Byun, M.W., Color, flavor, and sensory characteristics of gamma-irradiated salted and fermented anchovy sauce, Radiation Phys. Chem., 2004, 69, 2, 179-187, https://doi.org/10.1016/S0969-806X(03)00400-6 . [all data]

Echeverria, Fuentes, et al., 2003
Echeverria, G.; Fuentes, M.T.; Graell, J.; Lopez, M.L., Relationships between volatile production, fruit quality and sensory evaluation of Fuji apples stored in different atmospheres by means of multivariate analysis, J. Sci. Food Agric., 2003, 84, 1, 5-20, https://doi.org/10.1002/jsfa.1554 . [all data]

Lopez, Lavilla, et al., 2000
Lopez, M.L.; Lavilla, M.T.; Recasens, I.; Graell, J.; Vendrell, M., Changes in aroma quality of 'Golden Delicious' apples after storage at different oxygen and carbon dioxide concentrations, J. Sci. Food Agric., 2000, 80, 3, 311-324, https://doi.org/10.1002/1097-0010(200002)80:3<311::AID-JSFA519>3.0.CO;2-F . [all data]

Lavilla, Puy, et al., 1999
Lavilla, T.; Puy, J.; López, M.L.; Recasens, I.; Vendrell, M., Relationships between volatile production, fruit quality, and sensory evaluation in Granny Smith apples stored in different controlled-atmosphere treatments by means of multivariate analysis, J. Agric. Food Chem., 1999, 47, 9, 3791-3803, https://doi.org/10.1021/jf990066h . [all data]

Forney and Jordan, 1998
Forney, C.F.; Jordan, M.A., Induction of volatile compounds in broccoli by postharvest hot-water dips, J. Agric. Food Chem., 1998, 46, 12, 5295-5301, https://doi.org/10.1021/jf980443a . [all data]

Jakobsen, Hansen, et al., 1998
Jakobsen, H.B.; Hansen, M.; Christensen, M.R.; Brockhoff, P.B.; Olsen, C.E., Aroma volatiles of blanched green peas (Pisum sativum L.), J. Agric. Food Chem., 1998, 46, 9, 3727-3734, https://doi.org/10.1021/jf980026y . [all data]

López, Lavilla, et al., 1998
López, M.L.; Lavilla, T.; Recasens, I.; Riba, M.; Vendrell, M., Influence of different oxygen and carbon dioxide concentrations during storage on production of volatile compounds by Starking delicious apples, J. Agric. Food Chem., 1998, 46, 2, 634-643, https://doi.org/10.1021/jf9608938 . [all data]

Mattheis, Buchanan, et al., 1992
Mattheis, J.P.; Buchanan, D.A.; Fellman, J.K., Volatile compounds emitted by sweet cherries (Prunus avium Cv. Bing) during fruit development and ripening, J. Agric. Food Chem., 1992, 40, 3, 471-474, https://doi.org/10.1021/jf00015a022 . [all data]

Peng, Yang, et al., 1991, 2
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]

Shibamoto, 1987
Shibamoto, T., Retention Indices in Essential Oil Analysis in Capillary Gas Chromatography in Essential Oil Analysis, Sandra, P.; Bicchi, C., ed(s)., Hutchig Verlag, Heidelberg, New York, 1987, 259-274. [all data]

Waggott and Davies, 1984
Waggott, A.; Davies, I.W., Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, References