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Ethyl formate

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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

Quantity Value Units Method Reference Comment
Deltafgas-86.45kcal/molN/AFrolova and Petrov, 1991Value computed using «DELTA»fHliquid° value of -394.2±0.8 kj/mol from Frolova and Petrov, 1991 and «DELTA»vapH° value of 32.5 kj/mol from Hine and Klueppet, 1974.; DRB
Deltafgas-95.2kcal/molCmHine and Klueppet, 1974ALS

Condensed phase thermochemistry data

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

Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafliquid-94.2 ± 0.2kcal/molEqkFrolova and Petrov, 1991ALS
Deltafliquid-102.9kcal/molCmHine and Klueppet, 1974ALS

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
34.49298.15Fuchs, 1979DH
37.81290.Kurnakov and Voskresenskaya, 1936DH
35.40294.7Kolosovskii and Udovenko, 1934DH
35.40294.7de Kolossowsky and Udowenko, 1933DH

Phase change data

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

Data compiled as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
BS - Robert L. Brown and Stephen E. Stein
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil327. ± 1.KAVGN/AAverage of 33 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus193.55KN/ATimmermans, 1952Uncertainty assigned by TRC = 0.5 K; TRC
Tfus193.KN/ATimmermans, 1935Uncertainty assigned by TRC = 2. K; TRC
Tfus193.75KN/ATimmermans, 1934Uncertainty assigned by TRC = 0.4 K; TRC
Tfus192.65KN/ATimmermans, 1911Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Tc508. ± 5.KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Pc46.76atmN/AYoung, 1910Uncertainty assigned by TRC = 0.99995 atm; TRC
Pc46.751atmN/AYoung and Thomas, 1893Uncertainty assigned by TRC = 0.39 atm; TRC
Pc49.16atmN/ANadezhdin, 1887Uncertainty assigned by TRC = 2.0000 atm; TRC
Pc48.66atmN/ASajots, 1879Uncertainty assigned by TRC = 2.0000 atm; TRC
Quantity Value Units Method Reference Comment
rhoc4.363mol/lN/AYoung, 1910Uncertainty assigned by TRC = 0.07 mol/l; TRC
rhoc4.363mol/lN/AYoung and Thomas, 1893Uncertainty assigned by TRC = 0.05 mol/l; TRC
rhoc4.25mol/lN/ANadezhdin, 1887Uncertainty assigned by TRC = 0.08 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap7.674kcal/molN/AMajer and Svoboda, 1985 
Deltavap7.69kcal/molVHine and Klueppet, 1974ALS
Deltavap7.77kcal/molN/AHine and Klueppet, 1974DRB
Deltavap7.20 ± 0.003kcal/molVMathews, 1926ALS

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
7.149327.5N/AMajer and Svoboda, 1985 
7.50313.N/AFárková and Wichterle, 1993Based on data from 300. - 326. K.; AC
7.15342.AStephenson and Malanowski, 1987Based on data from 327. - 498. K.; AC
8.56228.AStephenson and Malanowski, 1987Based on data from 213. - 336. K. See also Dykyj, 1970.; AC
7.55 ± 0.02304.CCihlár, Hynek, et al., 1976AC
7.39 ± 0.02313.CCihlár, Hynek, et al., 1976AC
7.12 ± 0.02328.CCihlár, Hynek, et al., 1976AC

Enthalpy of vaporization

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

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Temperature (K) A (kcal/mol) beta Tc (K) Reference Comment
304. - 343.12.210.3191508.4Majer and Svoboda, 1985 

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

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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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

C3H7O2+ + Ethyl formate = (C3H7O2+ bullet Ethyl formate)

By formula: C3H7O2+ + C3H6O2 = (C3H7O2+ bullet C3H6O2)

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

Quantity Value Units Method Reference Comment
Deltar30.0kcal/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
Quantity Value Units Method Reference Comment
Deltar30.9cal/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
Deltar20.8kcal/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

C4H9O2+ + Ethyl formate = (C4H9O2+ bullet Ethyl formate)

By formula: C4H9O2+ + C3H6O2 = (C4H9O2+ bullet C3H6O2)

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
Deltar29.9cal/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
Deltar21.6kcal/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

thiophenoxide anion + Ethyl formate = (thiophenoxide anion bullet Ethyl formate)

By formula: C6H5S- + C3H6O2 = (C6H5S- bullet C3H6O2)

Quantity Value Units Method Reference Comment
Deltar20.0kcal/molPHPMSSieck and Meot-ner, 1989gas phase; M
Quantity Value Units Method Reference Comment
Deltar25.6cal/mol*KPHPMSSieck and Meot-ner, 1989gas phase; M

Iodide + Ethyl formate = (Iodide bullet Ethyl formate)

By formula: I- + C3H6O2 = (I- bullet C3H6O2)

Quantity Value Units Method Reference Comment
Deltar16.6kcal/molPHPMSCaldwell and Kebarle, 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar20.4cal/mol*KPHPMSCaldwell and Kebarle, 1984gas phase; M

N-Formylimidazole diethyl acetal + Water = Ethyl formate + 1H-Imidazole + Ethanol

By formula: C8H14N2O2 + H2O = C3H6O2 + C3H4N2 + C2H6O

Quantity Value Units Method Reference Comment
Deltar-8.28 ± 0.42kcal/molCmGuthrie and Pike, 1987liquid phase; Heat of hydrolysis; ALS

Ethyl orthoformate + Water = Ethyl formate + 2Ethanol

By formula: C7H16O3 + H2O = C3H6O2 + 2C2H6O

Quantity Value Units Method Reference Comment
Deltar-3.17 ± 0.19kcal/molCmHine and Klueppet, 1974liquid phase; Heat of hydrolysis; ALS

Ethane, 1,1,1-trimethoxy- + Water = Ethyl formate + 2Methyl Alcohol

By formula: C5H12O3 + H2O = C3H6O2 + 2CH4O

Quantity Value Units Method Reference Comment
Deltar-6.29 ± 0.65kcal/molCmHine and Klueppet, 1974liquid phase; ALS

Henry's Law data

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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
0.14 QN/ASeveral references are given in the list of Henry's law constants but not assigned to specific species.
3.6 VN/A 
0.204300.MN/A 

Gas phase ion energetics data

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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:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

View reactions leading to C3H6O2+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)10.61 ± 0.01eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)191.1kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity183.7kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
10.61 ± 0.05PIPECOZha, Nishimura, et al., 1992LL
10.61 ± 0.05PEBenoit, Harrison, et al., 1977LLK
10.62PESweigart and Turner, 1972LLK
10.61 ± 0.01PIWatanabe, Nakayama, et al., 1962RDSH
10.61PEBenoit and Harrison, 1977Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CHO+12.7H2O+C2H3EIHolmes, Mommers, et al., 1985LBLHLM
CHO+11.39 ± 0.01?EIBrion and Dunning, 1963RDSH
CH3+11.07 ± 0.04?EIBrion and Dunning, 1963RDSH
CH3O+11.89 ± 0.07CH3+COPIPECOZha, Nishimura, et al., 1992LL
CH3O+12.0 ± 0.1?EIVanRaalte and Harrison, 1963RDSH
CH3O2+11.37 ± 0.08C2H3PIPECOZha, Nishimura, et al., 1992LL
CH3O2+11.02 ± 0.05C2H3EIHolmes and Lossing, 1984LBLHLM
CH3O2+10.9 ± 0.05C2H3EIBenoit, Harrison, et al., 1977LLK
CH3O2+11.3 ± 0.1?EIMunson and Franklin, 1964RDSH
CH3O2+11.6 ± 0.1?EIVanRaalte and Harrison, 1963RDSH
C2H2+14.9?EIKing and Long, 1958RDSH
C2H3+15.0?EIKing and Long, 1958RDSH
C2H3O+12.2?EIKing and Long, 1958RDSH
C2H3O2+11.60 ± 0.16CH3PIPECOZha, Nishimura, et al., 1992LL
C2H3O2+11.5 ± 0.1CH3EIGodbole and Kebarle, 1962RDSH
C2H4+10.89 ± 0.05CH2O2PIPECOZha, Nishimura, et al., 1992LL
C2H4+11.2?EIKing and Long, 1958RDSH
C2H5+11.28 ± 0.25HCO2PIPECOZha, Nishimura, et al., 1992LL
C2H5+12.0?EIKing and Long, 1958RDSH
C2H5O+11.40 ± 0.08CHOPIPECOZha, Nishimura, et al., 1992LL
C2H5O+11.34CHO?EIHaney and Franklin, 1969RDSH
C3H4O+10.79 ± 0.05H2OPIPECOZha, Nishimura, et al., 1992LL
C3H5O2+11.1 ± 0.1HEIGodbole and Kebarle, 1962RDSH
H3O+11.8C2H3+COEIHolmes, Mommers, et al., 1985LBLHLM

Ion clustering data

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

Data compiled by: Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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

C3H7O2+ + Ethyl formate = (C3H7O2+ bullet Ethyl formate)

By formula: C3H7O2+ + C3H6O2 = (C3H7O2+ bullet C3H6O2)

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

Quantity Value Units Method Reference Comment
Deltar30.0kcal/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
Quantity Value Units Method Reference Comment
Deltar30.9cal/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
Quantity Value Units Method Reference Comment
Deltar20.8kcal/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

C4H9O2+ + Ethyl formate = (C4H9O2+ bullet Ethyl formate)

By formula: C4H9O2+ + C3H6O2 = (C4H9O2+ bullet C3H6O2)

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
Quantity Value Units Method Reference Comment
Deltar29.9cal/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
Quantity Value Units Method Reference Comment
Deltar21.6kcal/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

thiophenoxide anion + Ethyl formate = (thiophenoxide anion bullet Ethyl formate)

By formula: C6H5S- + C3H6O2 = (C6H5S- bullet C3H6O2)

Quantity Value Units Method Reference Comment
Deltar20.0kcal/molPHPMSSieck and Meot-ner, 1989gas phase
Quantity Value Units Method Reference Comment
Deltar25.6cal/mol*KPHPMSSieck and Meot-ner, 1989gas phase

Iodide + Ethyl formate = (Iodide bullet Ethyl formate)

By formula: I- + C3H6O2 = (I- bullet C3H6O2)

Quantity Value Units Method Reference Comment
Deltar16.6kcal/molPHPMSCaldwell and Kebarle, 1984gas phase
Quantity Value Units Method Reference Comment
Deltar20.4cal/mol*KPHPMSCaldwell and Kebarle, 1984gas phase

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

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


Mass spectrum (electron ionization)

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

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center, 1990.
NIST MS number 118854

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

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Column type Active phase Temperature (C) I Reference Comment
PackedPMS-100090.457.Arutyunov, Kudryashov, et al., 2004N2, Chromaton N-AW-DMCS; Column length: 2. m
PackedSE-30100.501.Winskowski, 1983Gaschrom Q; Column length: 2. m
PackedSqualane50.463.Becerra, Sánchez, et al., 1982N2, Chromosorb W-AM; Column length: 6. m
PackedPorapack Q200.474.Goebel, 1982N2
PackedApiezon L120.465.Bogoslovsky, Anvaer, et al., 1978Celite 545
PackedApiezon L160.469.Bogoslovsky, Anvaer, et al., 1978Celite 545
PackedApiezon L70.468.Bogoslovsky, Anvaer, et al., 1978 
PackedSE-30150.495.Ashes and Haken, 1974Celaton (62-72 mesh); Column length: 3.7 m
PackedSqualane50.456.Mira and Sanchez, 1970Chromosorb G
PackedSE-30150.487.Germaine and Haken, 1969Celite 560; Column length: 3.7 m
PackedApiezon L130.455.Wehrli and Kováts, 1959Celite; Column length: 2.25 m
PackedApiezon L70.468.Wehrli and Kováts, 1959Celite; Column length: 2.25 m

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

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Column type Active phase I Reference Comment
CapillarySE-30495.Chretien and Dubois, 1978Program: not specified

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedCarbowax 20M75.842.Goebel, 1982N2, Kieselgur (60-100 mesh); Column length: 2. m
PackedCarbowax 20M125.820.van den Dool and Kratz, 1963Celite 545

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

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Column type Active phase I Reference Comment
CapillaryCP Sil 5 CB481.Pino, Almora, et al., 200360. m/0.32 mm/0.25 «mu»m, He, 60. C @ 10. min, 3. K/min, 280. C @ 60. min
CapillaryCP Sil 5 CB530.Pino, Marbot, et al., 200250. m/0.32 mm/0.4 «mu»m, He, 60. C @ 10. min, 3. K/min, 280. C @ 60. min
CapillaryCP Sil 5 CB481.Pino and Marbot, 200150. m/0.32 mm/0.4 «mu»m, He, 60. C @ 10. min, 3. K/min, 280. C @ 60. min
CapillaryHP-101530.Chung, Eiserich, et al., 1993N2, 3. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 200. C

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

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Column type Active phase I Reference Comment
CapillaryCP-Wax 52CB847.Liu, Yang, et al., 2001H2, 2. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 50. C; Tend: 200. C
CapillaryDB-Wax832.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-Wax825.Shiratsuchi, Shimoda, et al., 199460. m/0.25 mm/0.25 «mu»m, 2. K/min, 230. C @ 60. min; Tstart: 50. C
CapillaryDB-Wax825.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-20M848.Chung, Eiserich, et al., 1993He, 3. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 190. C
CapillaryHP-FFAP837.Chung, Eiserich, et al., 1993He, 3. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 210. C
PackedCarbowax 20M822.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

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Column type Active phase I Reference Comment
CapillaryDB-Wax849.1Yang, Chyau, et al., 1998He; Column length: 50. m; Column diameter: 0.32 mm; Program: 50C => 2.5C/min => 150C => 1.5C/min => 210C
CapillaryFFAP820.Yasuhara, 198750. m/0.25 mm/0.25 «mu»m, He; Program: 20C (5min) => 2C/min => 70C => 4C/min => 210C

Normal alkane RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryPolydimethyl siloxane105.502.Tello, Lebron-Aguilar, et al., 2009 
CapillaryPolydimethyl siloxane75.504.Tello, Lebron-Aguilar, et al., 2009 
CapillaryPolydimethyl siloxane90.502.Tello, Lebron-Aguilar, et al., 2009 
PackedSqualane125.478.Cremer and Nonn, 1964H2, Chromosorb W (80-100 mesh); Column length: 3. m

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryOV-101500.Tamura, Boonbumrung, et al., 2000Nitrogen, 40. C @ 10. min, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tend: 200. C
CapillaryOV-101530.Anker, Jurs, et al., 19902. K/min; Column length: 50. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryMethyl Silicone495.Du and Feng, 2008Program: not specified
CapillaryHP-5510.Zhao, Li, et al., 200830. m/0.25 mm/0.25 «mu»m; Program: not specified
CapillaryMethyl Silicone495.Chen and Feng, 2007Program: not specified
CapillarySE-30530.Vinogradov, 2004Program: not specified
CapillaryMethyl Silicone495.N/AProgram: not specified
CapillaryMethyl Silicone487.Zenkevich, 1999Program: not specified
CapillarySPB-1521.Flanagan, Streete, et al., 199760. m/0.53 mm/5. «mu»m, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
CapillaryDB-1502.Ciccioli, Cecinato, et al., 199460. m/0.32 mm/0.25 «mu»m; Program: not specified
CapillaryDB-1502.Ciccioli, Brancaleoni, et al., 199360. m/0.32 mm/0.25 «mu»m; Program: 3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/min
CapillarySPB-1521.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-1545.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 «mu»m, Helium; Program: not specified
CapillaryOV-101502.Shibamoto, 1987Column length: 50. m; Column diameter: 0.25 mm; Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.501.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax814.Dregus and Engel, 200360. m/0.32 mm/0.25 «mu»m, H2, 40. C @ 5. min, 4. K/min, 230. C @ 25. min
CapillaryDB-Wax811.Ito, Sugimoto, et al., 200260. C @ 4. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 180. C
CapillaryTC-Wax821.Suhardi, Suzuki, et al., 200260. m/0.25 mm/0.25 «mu»m, He, 40. C @ 10. min, 3. K/min, 230. C @ 10. min
CapillaryDB-Wax834.Tamura, Boonbumrung, et al., 2000Nitrogen, 40. C @ 10. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C
CapillaryPEG-20M820.Kubota, Matsujage, et al., 199650. m/0.25 mm/0.25 «mu»m, Nitrogen, 2. K/min; Tstart: 60. C; Tend: 180. C
CapillaryTC-Wax800.Shuichi, Masazumi, et al., 199680. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 240. C
CapillaryDB-Wax825.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 20M806.Anker, Jurs, et al., 19902. K/min; Column length: 80. m; Column diameter: 0.2 mm; Tstart: 70. C; Tend: 170. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax804.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
CapillaryDB-Wax830.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 20M806.Vinogradov, 2004Program: not specified
CapillaryCarbowax 20M810.Shibamoto, 1987Column length: 50. m; Column diameter: 0.25 mm; Program: not specified
CapillaryCarbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.822.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryCarbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.823.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: 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.

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Holmes, Mommers, et al., 1985
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VanRaalte and Harrison, 1963
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Holmes and Lossing, 1984
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King and Long, 1958
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Godbole and Kebarle, 1962
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Shiratsuchi, Shimoda, et al., 1994, 2
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Flanagan, Streete, et al., 1997
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Ciccioli, Cecinato, et al., 1994
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Ciccioli, Brancaleoni, et al., 1993
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Waggott and Davies, 1984
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Dregus and Engel, 2003
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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]

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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]

Umano, Hagi, et al., 1995
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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]

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]


Notes

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