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2-Butanone

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Gas 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
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas-238.6 ± 0.84kJ/molCmChao and Zwolinski, 1976ALS
Deltafgas-238.7 ± 0.96kJ/molEqkBuckley and Herington, 1965Reanalyzed by Cox and Pilcher, 1970, Original value = -238.0 kJ/mol; ALS
Deltafgas-238.1kJ/molCcbSinke and Oetting, 1964ALS

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
57.03100.Chao J., 1986p=1 bar. Recommended values agree with results of statistical calculations [ Sinke G.C., 1964, Chao J., 1976] within 0.2-1.8 J/mol*K. S(T) values calculated by [ Nickerson J.K., 1961] are different from selected ones by 4-5 J/mol*K.; GT
68.98150.
80.20200.
96.12273.15
101.68 ± 0.14298.15
102.09300.
124.37400.
145.05500.
163.15600.
178.77700.
192.25800.
203.91900.
213.991000.
222.691100.
230.211200.
236.701300.
242.311400.
247.171500.

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
113.43 ± 0.23347.15von Geiseler G., 1973Experimental data [ Vilcu R., 1975] differ appreciably from data selected here. Their correctness seems to be doubtful (see [ Kabo G.J., 1995]). Low accuracy is also expected for experimental value of Cp(410 K)=123.85 J/mol*K [ Bennewitz K., 1938]. Please also see Nickerson J.K., 1961.; GT
115.65 ± 0.17358.79
118.70 ± 0.18371.90
119.03 ± 0.24372.15
121.75 ± 0.18385.60
124.39 ± 0.25397.15
124.60 ± 0.19399.55
126.98 ± 0.19410.70
131.71 ± 0.26432.15
138.62 ± 0.28467.15

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-273.3 ± 1.2kJ/molCcbSinke and Oetting, 1964ALS
Deltafliquid-279.0kJ/molCcbParks, Mosley, et al., 1950see Moore, Renquist, et al., 1940; ALS
Quantity Value Units Method Reference Comment
Deltacliquid-2444.2kJ/molCcbSinke and Oetting, 1964Corresponding «DELTA»fliquid = -273.2 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-2438.4kJ/molCcbParks, Mosley, et al., 1950see Moore, Renquist, et al., 1940; Corresponding «DELTA»fliquid = -278.9 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-2436.3 ± 1.5kJ/molCcbCrog and Hunt, 1942Corresponding «DELTA»fliquid = -281.1 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid239.0J/mol*KN/AAndon, Counsell, et al., 1968DH
liquid238.82J/mol*KN/ASinke and Oetting, 1964DH
liquid241.4J/mol*KN/AParks, Kennedy, et al., 1956Extrapolation below 80 K, 53.47 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
159.298.15Malhotra and Woolf, 1992T = 278 to 338 K. p = 0.1 MPa.; DH
162.2303.15Reddy, 1986T = 303.15, 313.15 K.; DH
158.4298.15Costas and Patterson, 1985T = 283.15, 298.15, 313.15 K.; DH
158.4298.15Costas and Patterson, 1985, 2DH
157.91298.15Grolier and Benson, 1984DH
158.4298.1Roux, Perron, et al., 1978T = 277 to 313 K.; DH
159.2298.15Grolier, Benson, et al., 1975DH
158.7298.15Andon, Counsell, et al., 1968T = 10 to 320 K.; DH
158.0293.Rastorguev and Ganiev, 1967T = 293 to 353 K.; DH
158.91298.15Sinke and Oetting, 1964T = 13 to 308 K.; DH
158.41298.15Parks, Kennedy, et al., 1956T = 80 to 300 K.; DH
160.7297.0Kolosovskii and Udovenko, 1934DH
160.7297.0de 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, Kenneth Kroenlein director
BS - Robert L. Brown and Stephen E. Stein
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil353. ± 1.KAVGN/AAverage of 89 out of 90 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus186.5 ± 0.5KAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple186.5KN/AWilhoit, Chao, et al., 1985Uncertainty assigned by TRC = 0.01 K; TRC
Ttriple186.47KN/AAndon, Counsell, et al., 1968, 2Uncertainty assigned by TRC = 0.04 K; TRC
Ttriple186.4KN/ASinke and Oetting, 1964, 2Uncertainty assigned by TRC = 0.06 K; measured for the sample, 1/f = 1.00; TRC
Ttriple186.48KN/ASinke and Oetting, 1964, 2Uncertainty assigned by TRC = 0.03 K; measured for the sample, 1/f = 1.00; TRC
Ttriple186.1KN/AParks, Kennedy, et al., 1956, 2Uncertainty assigned by TRC = 0.1 K; TRC
Quantity Value Units Method Reference Comment
Tc535. ± 2.KAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Pc42. ± 2.barAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
rhoc3.74mol/lN/AKobe, Crawford, et al., 1955Uncertainty assigned by TRC = 0.21 mol/l; TRC
rhoc3.49mol/lN/ARosenbaum, 1951Uncertainty assigned by TRC = 0.06 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap34. ± 2.kJ/molAVGN/AAverage of 6 values; Individual data points

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
31.3352.8N/AMajer and Svoboda, 1985 
34.6309.AStephenson and Malanowski, 1987Based on data from 294. - 342. K.; AC
32.5368.AStephenson and Malanowski, 1987Based on data from 353. - 403. K.; AC
31.6412.AStephenson and Malanowski, 1987Based on data from 397. - 479. K.; AC
31.1488.AStephenson and Malanowski, 1987Based on data from 473. - 537. K.; AC
33.9330.A,EB,GSStephenson and Malanowski, 1987Based on data from 315. - 363. K. See also Ambrose, Ellender, et al., 1975 and Collerson, Counsell, et al., 1965.; AC
35.6273.N/ADi Cave, Chianese, et al., 1978Based on data from 258. - 362. K.; AC
33.8315.CGeiseler, Quitzsch, et al., 1973AC
33.8 ± 0.1314.CNickerson, Kobe, et al., 1961AC
32.3 ± 0.1338.CNickerson, Kobe, et al., 1961AC
31.3 ± 0.1352.CNickerson, Kobe, et al., 1961AC
30.5 ± 0.1363.CNickerson, Kobe, et al., 1961AC
30.0 ± 0.1370.CNickerson, Kobe, et al., 1961AC
33.9329.N/AStull, 1947Based on data from 314. - 370. K.; AC

Enthalpy of vaporization

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

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Temperature (K) A (kJ/mol) beta Tc (K) Reference Comment
298. - 371.51.870.2925536.8Majer and Svoboda, 1985 

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
314.6 - 370.63.98941150.207-63.904Nickerson, Kobe, et al., 1961Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
8.385186.47Andon, Counsell, et al., 1968DH
8.4387186.48Sinke and Oetting, 1964DH
8.44186.5Acree, 1991AC
8.485186.1Parks, Kennedy, et al., 1956DH

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
44.98186.47Andon, Counsell, et al., 1968DH
45.25186.48Sinke and Oetting, 1964DH
45.59186.1Parks, Kennedy, et al., 1956DH

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), Vibrational and/or electronic energy levels, 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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
RCD - Robert C. Dunbar

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

C4H9O+ + 2-Butanone = (C4H9O+ bullet 2-Butanone)

By formula: C4H9O+ + C4H8O = (C4H9O+ bullet C4H8O)

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

Quantity Value Units Method Reference Comment
Deltar127.kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar129.J/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar88.7kJ/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

C5H11O+ + 2-Butanone = (C5H11O+ bullet 2-Butanone)

By formula: C5H11O+ + C4H8O = (C5H11O+ bullet C4H8O)

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

Quantity Value Units Method Reference Comment
Deltar123.kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar123.J/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar86.6kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

C4H7O- + Hydrogen cation = 2-Butanone

By formula: C4H7O- + H+ = C4H8O

Quantity Value Units Method Reference Comment
Deltar1536. ± 12.kJ/molG+TSChyall, Brickhouse, et al., 1994gas phase; Primary and secondary sites are of equal acidity by equilibration. Acidity from Zimmerman, Reed, et al., 1977; B
Deltar1545. ± 10.kJ/molD-EAZimmerman, Reed, et al., 1977gas phase; B
Quantity Value Units Method Reference Comment
Deltar1508. ± 11.kJ/molIMREChyall, Brickhouse, et al., 1994gas phase; Primary and secondary sites are of equal acidity by equilibration. Acidity from Zimmerman, Reed, et al., 1977; B
Deltar1516. ± 11.kJ/molH-TSZimmerman, Reed, et al., 1977gas phase; B

C3H9Sn+ + 2-Butanone = (C3H9Sn+ bullet 2-Butanone)

By formula: C3H9Sn+ + C4H8O = (C3H9Sn+ bullet C4H8O)

Quantity Value Units Method Reference Comment
Deltar164.kJ/molPHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar137.J/mol*KN/AStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
92.5525.PHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

CH6N+ + 2-Butanone = (CH6N+ bullet 2-Butanone)

By formula: CH6N+ + C4H8O = (CH6N+ bullet C4H8O)

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

Quantity Value Units Method Reference Comment
Deltar105.kJ/molPHPMSMeot-Ner, 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar100.J/mol*KN/AMeot-Ner, 1984gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
47.7553.PHPMSMeot-Ner, 1984gas phase; Entropy change calculated or estimated; M

Chlorine anion + 2-Butanone = (Chlorine anion bullet 2-Butanone)

By formula: Cl- + C4H8O = (Cl- bullet C4H8O)

Quantity Value Units Method Reference Comment
Deltar61.9 ± 8.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar87.9J/mol*KN/ALarson and McMahon, 1984gas phase; switching reaction(Cl-)(CH3)2CO, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M
Quantity Value Units Method Reference Comment
Deltar36. ± 8.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M

Hydrogen + 2-Butanone = 2-Butanol

By formula: H2 + C4H8O = C4H10O

Quantity Value Units Method Reference Comment
Deltar-54.18kJ/molEqkBuckley and Herington, 1965gas phase; ALS
Deltar-54.3 ± 0.4kJ/molChydDolliver, Gresham, et al., 1938gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -55.2 ± 0.4 kJ/mol; At 355 °K; ALS

C4H7O- + Hydrogen cation = 2-Butanone

By formula: C4H7O- + H+ = C4H8O

Quantity Value Units Method Reference Comment
Deltar1678. ± 17.kJ/molCIDTGraul and Squires, 1990gas phase; B
Deltar<1711.3kJ/molCIDTGraul and Squires, 1988gas phase; B
Quantity Value Units Method Reference Comment
Deltar1646. ± 17.kJ/molH-TSGraul and Squires, 1990gas phase; B

Nitric oxide anion + 2-Butanone = (Nitric oxide anion bullet 2-Butanone)

By formula: NO- + C4H8O = (NO- bullet C4H8O)

Quantity Value Units Method Reference Comment
Deltar177.kJ/molICRReents and Freiser, 1981gas phase; switching reaction,Thermochemical ladder(NO+)C2H5OH, Entropy change calculated or estimated; Farid and McMahon, 1978; M

C4H7O- + Hydrogen cation = 2-Butanone

By formula: C4H7O- + H+ = C4H8O

Quantity Value Units Method Reference Comment
Deltar1540. ± 12.kJ/molG+TSCumming and Kebarle, 1978gas phase; B
Quantity Value Units Method Reference Comment
Deltar1512. ± 8.4kJ/molIMRECumming and Kebarle, 1978gas phase; B

(CAS Reg. No. 35730-33-7 bullet 42949672952-Butanone) + 2-Butanone = CAS Reg. No. 35730-33-7

By formula: (CAS Reg. No. 35730-33-7 bullet 4294967295C4H8O) + C4H8O = CAS Reg. No. 35730-33-7

Quantity Value Units Method Reference Comment
Deltar164. ± 9.2kJ/molN/ATaft, 1987gas phase; value altered from reference due to change in acidity scale; B

2-Butanol = Hydrogen + 2-Butanone

By formula: C4H10O = H2 + C4H8O

Quantity Value Units Method Reference Comment
Deltar54.22kJ/molEqkCubberley and Mueller, 1946gas phase; ALS
Deltar57.170kJ/molEqkKolb and Burwell, 1945gas phase; ALS

Magnesium ion (1+) + 2-Butanone = (Magnesium ion (1+) bullet 2-Butanone)

By formula: Mg+ + C4H8O = (Mg+ bullet C4H8O)

Quantity Value Units Method Reference Comment
Deltar280.kJ/molICROperti, Tews, et al., 1988gas phase; switching reaction,Thermochemical ladder(CH3OH); M

2,2-Dimethoxybutane + Water = 2Methyl Alcohol + 2-Butanone

By formula: C6H14O2 + H2O = 2CH4O + C4H8O

Quantity Value Units Method Reference Comment
Deltar19.33 ± 0.04kJ/molCmWiberg and Squires, 1979liquid phase; Heat of hydrolysis; ALS

Hydrogen iodide + 3-Iodo-2-butanone = Iodine + 2-Butanone

By formula: HI + C4H7IO = I2 + C4H8O

Quantity Value Units Method Reference Comment
Deltar-42.7kJ/molKinSolly, Golden, et al., 1970gas phase; ALS

Hydrogen + Methyl vinyl ketone = 2-Butanone

By formula: H2 + C4H6O = C4H8O

Quantity Value Units Method Reference Comment
Deltar-550.6kJ/molChydVeselova and Sul'man, 1980liquid phase; ALS

Sodium ion (1+) + 2-Butanone = (Sodium ion (1+) bullet 2-Butanone)

By formula: Na+ + C4H8O = (Na+ bullet C4H8O)

Quantity Value Units Method Reference Comment
Deltar131. ± 7.1kJ/molCIDTMoision and Armentrout, 2002RCD

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), Vibrational and/or electronic energy levels, 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
20.5000.LN/A 
20.5000.MN/AThe data from Table 1 by missing citation was used to redo the regression analysis. The data for acetone in their Table 2 is wrong.
7.7 XN/AValue given here as cited in missing citation.
6.8-5200.XN/A 
4.1 - 7.7 XHowe, Mullins, et al., 1987Value given here as quoted by missing citation.
7.15800.XN/A 
18.5700.MN/A 
10. MN/AValue at T = 303. K.
18. MN/A 
17. XN/AValue given here as quoted by missing citation.
19. MN/A 
21. MButtery, Ling, et al., 1969 
7.1 RN/A 

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), Vibrational and/or electronic energy levels, 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
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 C4H8O+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)9.52 ± 0.04eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)827.3kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity795.5kJ/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
0.000999EFDDesfrancois, Abdoul-Carime, et al., 1994EA: 1.0 meV. Dipole-bound state.; B

Ionization energy determinations

IE (eV) Method Reference Comment
9.52PITraeger, 1985LBLHLM
9.7EIMcAdoo and Hudson, 1983LBLHLM
9.52PITraeger, McLouglin, et al., 1982LBLHLM
9.529 ± 0.005PEHernandez, Masclet, et al., 1977LLK
9.53 ± 0.01PEMouvier and Hernandez, 1975LLK
9.54 ± 0.03EIMouvier and Hernandez, 1975LLK
9.52PETam, Yee, et al., 1974LLK
9.54 ± 0.01PIPotapov and Sorokin, 1972LLK
9.54 ± 0.01PECocksey, Eland, et al., 1971LLK
9.51PEDewar and Worley, 1969RDSH
9.48 ± 0.02PIMurad and Inghram, 1964RDSH
9.53 ± 0.01PIWatanabe, Nakayama, et al., 1962RDSH
9.54 ± 0.03PIVilesov, 1960RDSH
9.5 ± 0.1PIHurzeler, Inghram, et al., 1958RDSH
9.55 ± 0.03PIVilesov and Terenin, 1957RDSH
9.46PEOlivato, Guerrero, et al., 1984Vertical value; LBLHLM
9.49PEBenoit and Harrison, 1977Vertical value; LLK
9.56PEKimura, Katsumata, et al., 1975Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CH3+15.49?EIPotzinger and Bunau, 1969RDSH
C2H3O+10.32C2H5PITraeger, McLouglin, et al., 1982LBLHLM
C2H3O+10.69C2H5EIMouvier and Hernandez, 1975LLK
C2H3O+10.30 ± 0.05C2H5PIPotapov and Sorokin, 1972LLK
C2H3O+10.97C2H5EIPotzinger and Bunau, 1969RDSH
C2H3O+10.3C2H5PIMurad and Inghram, 1964RDSH
C2H5+12.88?EIPotzinger and Bunau, 1969RDSH
C3H5O+9.90CH3PITraeger, 1985LBLHLM
C3H5O+10.15 ± 0.05CH3PIPotapov and Sorokin, 1972LLK
C3H5O+10.60CH3EIPotzinger and Bunau, 1969RDSH
C3H5O+10.18CH3PIMurad and Inghram, 1964, 2RDSH

De-protonation reactions

C4H7O- + Hydrogen cation = 2-Butanone

By formula: C4H7O- + H+ = C4H8O

Quantity Value Units Method Reference Comment
Deltar1536. ± 12.kJ/molG+TSChyall, Brickhouse, et al., 1994gas phase; Primary and secondary sites are of equal acidity by equilibration. Acidity from Zimmerman, Reed, et al., 1977; B
Deltar1545. ± 10.kJ/molD-EAZimmerman, Reed, et al., 1977gas phase; B
Quantity Value Units Method Reference Comment
Deltar1508. ± 11.kJ/molIMREChyall, Brickhouse, et al., 1994gas phase; Primary and secondary sites are of equal acidity by equilibration. Acidity from Zimmerman, Reed, et al., 1977; B
Deltar1516. ± 11.kJ/molH-TSZimmerman, Reed, et al., 1977gas phase; B

C4H7O- + Hydrogen cation = 2-Butanone

By formula: C4H7O- + H+ = C4H8O

Quantity Value Units Method Reference Comment
Deltar1678. ± 17.kJ/molCIDTGraul and Squires, 1990gas phase; B
Deltar<1711.3kJ/molCIDTGraul and Squires, 1988gas phase; B
Quantity Value Units Method Reference Comment
Deltar1646. ± 17.kJ/molH-TSGraul and Squires, 1990gas phase; B

C4H7O- + Hydrogen cation = 2-Butanone

By formula: C4H7O- + H+ = C4H8O

Quantity Value Units Method Reference Comment
Deltar1540. ± 12.kJ/molG+TSCumming and Kebarle, 1978gas phase; B
Quantity Value Units Method Reference Comment
Deltar1512. ± 8.4kJ/molIMRECumming and Kebarle, 1978gas phase; B

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 as indicated in comments:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
RCD - Robert C. Dunbar

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

CH6N+ + 2-Butanone = (CH6N+ bullet 2-Butanone)

By formula: CH6N+ + C4H8O = (CH6N+ bullet C4H8O)

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

Quantity Value Units Method Reference Comment
Deltar105.kJ/molPHPMSMeot-Ner, 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar100.J/mol*KN/AMeot-Ner, 1984gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
47.7553.PHPMSMeot-Ner, 1984gas phase; Entropy change calculated or estimated; M

C3H9Sn+ + 2-Butanone = (C3H9Sn+ bullet 2-Butanone)

By formula: C3H9Sn+ + C4H8O = (C3H9Sn+ bullet C4H8O)

Quantity Value Units Method Reference Comment
Deltar164.kJ/molPHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar137.J/mol*KN/AStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
92.5525.PHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

C4H9O+ + 2-Butanone = (C4H9O+ bullet 2-Butanone)

By formula: C4H9O+ + C4H8O = (C4H9O+ bullet C4H8O)

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

Quantity Value Units Method Reference Comment
Deltar127.kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar129.J/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar88.7kJ/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

C5H11O+ + 2-Butanone = (C5H11O+ bullet 2-Butanone)

By formula: C5H11O+ + C4H8O = (C5H11O+ bullet C4H8O)

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

Quantity Value Units Method Reference Comment
Deltar123.kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar123.J/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar86.6kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

Chlorine anion + 2-Butanone = (Chlorine anion bullet 2-Butanone)

By formula: Cl- + C4H8O = (Cl- bullet C4H8O)

Quantity Value Units Method Reference Comment
Deltar61.9 ± 8.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar87.9J/mol*KN/ALarson and McMahon, 1984gas phase; switching reaction(Cl-)(CH3)2CO, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M
Quantity Value Units Method Reference Comment
Deltar36. ± 8.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M

Magnesium ion (1+) + 2-Butanone = (Magnesium ion (1+) bullet 2-Butanone)

By formula: Mg+ + C4H8O = (Mg+ bullet C4H8O)

Quantity Value Units Method Reference Comment
Deltar280.kJ/molICROperti, Tews, et al., 1988gas phase; switching reaction,Thermochemical ladder(CH3OH); M

Nitric oxide anion + 2-Butanone = (Nitric oxide anion bullet 2-Butanone)

By formula: NO- + C4H8O = (NO- bullet C4H8O)

Quantity Value Units Method Reference Comment
Deltar177.kJ/molICRReents and Freiser, 1981gas phase; switching reaction,Thermochemical ladder(NO+)C2H5OH, Entropy change calculated or estimated; Farid and McMahon, 1978; M

Sodium ion (1+) + 2-Butanone = (Sodium ion (1+) bullet 2-Butanone)

By formula: Na+ + C4H8O = (Na+ bullet C4H8O)

Quantity Value Units Method Reference Comment
Deltar131. ± 7.1kJ/molCIDTMoision and Armentrout, 2002RCD

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), Vibrational and/or electronic energy levels, 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, Vibrational and/or electronic energy levels, 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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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 CARL DJERASSI DEPT OF CHEM STANFORD UNIV STANFORD CALIF 94305
NIST MS number 50206

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Vibrational and/or electronic energy levels

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, Notes

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

Data compiled by: Takehiko Shimanouchi

Trans form     Symmetry:   Cs     Symmetry Number sigma = 1


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

a' 1 CH3(1) d-str 2983  D 2983 S liq. 2983 M liq. OV(«nu»2,«nu»21,«nu»22)
a' 2 CH3(4) d-str 2983  D 2983 S liq. 2983 M liq. OV(«nu»1,«nu»21,«nu»22)
a' 3 CH3(1) s-str 2910  D 2910 S liq. 2924 S p liq. OV(«nu»4)
a' 4 CH3(4) s-str 2910  D 2910 S liq. 2924 S p liq. OV(«nu»3)
a' 5 CH2 s-str 2884  D 2884 S liq.
a' 6 CO str 1716  C 1716 S sln. 1715 M p liq.
a' 7 CH3(4) d-deform 1460  D 1460 M sln. 1450 M liq. OV(«nu»24)
a' 8 CH2 scis 1422  C 1422 S sln. 1419 M liq.
a' 9 CH3(1) d-deform 1413  D 1413 S sln. OV(«nu»25)
a' 10 CH3(4) s-deform 1373  C 1373 S sln.
a' 11 CH3(1) s-deform 1346  C 1346 S sln. 1345 W liq.
a' 12 CH2 wag 1263  D 1263 W sln. 1258 W liq. OV(«nu»26)
a' 13 CC(12) str 1182  C 1182 S sln. 1169 W liq.
a' 14 CH3(4) rock 1089  C 1089 M sln. 1087 M p liq.
a' 15 CC(34) str 997  C 997 sln. 999 W liq.
a' 16 CH3(1) rock 939  C 939 sln. 751 W liq.
a' 17 CC(23) str 760  D 760 S liq. 760 M p liq.
a' 18 CO ip-bend 590  C 590 S sln. 591 W liq.
a' 19 CCC(123) deform 413  C 413 S sln. 410 W liq.
a' 20 CCC(234) deform 260  C 260 S sln. 264 W liq.
a 21 CH3(1) d-str 2983  D 2983 S liq. 2983 liq. OV(«nu»1,«nu»2,«nu»22)
a 22 CH3(4) d-str 2983  D 2983 S liq. 2983 liq. OV(«nu»1,«nu»2,«nu»21)
a 23 CH2 d-str 2941  D 2941 S liq.
a 24 CH3(4) d-deform 1460  D 1460 M sln. 1450 M liq. OV(«nu»7)
a 25 CH3(1) d-deform 1413  D 1413 S sln. OV(«nu»9)
a 26 CH2 twist 1263  D 1263 W sln. 1258 W liq. OV(«nu»12)
a 27 CH3(4) rock 1108  C 1108 W sln.
a 28 CH3(1) rock 952  C 952 sh sln. 951 W liq.
a 29 CH2 rock 768  D 768 S liq.
a 30 CO op-bend 460  C 460 VW sln.
a 31 CC(34) torsion 201  E CF
a 32 CC(12) torsion 106  E CF
a 33 CC(23) torsion 87  C 87 W sln.

Source: Shimanouchi, 1972

Notes

SStrong
MMedium
WWeak
VWVery weak
shShoulder
pPolarized
CFCalculated frequency
OVOverlapped by band indicated in parentheses.
C3~6 cm-1 uncertainty
D6~15 cm-1 uncertainty
E15~30 cm-1 uncertainty

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), Vibrational and/or electronic energy levels, 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
PackedPMS-100090.549.Arutyunov, Kudryashov, et al., 2004N2, Chromaton N-AW-DMCS; Column length: 2. m
CapillaryDB-1313.575.92Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. «mu»m
CapillaryDB-1323.574.45Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. «mu»m
CapillaryDB-1333.572.75Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. «mu»m
CapillaryDB-1343.572.34Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. «mu»m
CapillaryDB-1353.571.45Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. «mu»m
CapillaryDB-1363.572.61Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. «mu»m
CapillaryDB-1373.572.88Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. «mu»m
CapillaryDB-1383.573.87Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. «mu»m
CapillaryDB-1393.575.19Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. «mu»m
CapillaryDB-1403.576.69Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. «mu»m
CapillaryDB-1413.578.90Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. «mu»m
CapillaryDB-1423.581.30Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. «mu»m
CapillaryDB-5313.603.27Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. «mu»m
CapillaryDB-5323.602.14Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. «mu»m
CapillaryDB-5333.601.20Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. «mu»m
CapillaryDB-5343.599.13Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. «mu»m
CapillaryDB-5353.596.14Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. «mu»m
CapillaryDB-5363.598.30Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. «mu»m
CapillaryDB-5373.601.92Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. «mu»m
CapillaryDB-5383.602.60Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. «mu»m
CapillaryDB-5393.603.82Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. «mu»m
CapillaryDB-5403.605.54Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. «mu»m
PackedOV-1130.597.Gurevich and Roshchina, 2003He or N2, Gas-Chrom Q
CapillaryDB-150.578.66Ciazynska-Halarewicz, Borucka, et al., 200230. m/0.32 mm/1. «mu»m, He
CapillaryDB-175.578.89Ciazynska-Halarewicz, Borucka, et al., 200230. m/0.32 mm/1. «mu»m, He
CapillaryDB-1100.570.79Ciazynska-Halarewicz, Borucka, et al., 200230. m/0.32 mm/1. «mu»m, He
CapillaryDB-1125.538.30Ciazynska-Halarewicz, Borucka, et al., 200230. m/0.32 mm/1. «mu»m, He
CapillaryDB-550.607.25Ciazynska-Halarewicz, Borucka, et al., 200230. m/0.32 mm/1. «mu»m, He
CapillaryDB-575.598.20Ciazynska-Halarewicz, Borucka, et al., 200230. m/0.32 mm/1. «mu»m, He
CapillaryDB-5100.609.38Ciazynska-Halarewicz, Borucka, et al., 200230. m/0.32 mm/1. «mu»m, He
CapillaryDB-5125.548.59Ciazynska-Halarewicz, Borucka, et al., 200230. m/0.32 mm/1. «mu»m, He
CapillaryHP-1110.575.77Héberger, Görgényi, et al., 200250. m/0.32 mm/1.05 «mu»m
CapillaryHP-120.575.3Héberger, Görgényi, et al., 200250. m/0.32 mm/1.05 «mu»m
CapillaryHP-130.575.0Héberger, Görgényi, et al., 200250. m/0.32 mm/1.05 «mu»m
CapillaryHP-140.574.9Héberger, Görgényi, et al., 200250. m/0.32 mm/1.05 «mu»m
CapillaryHP-150.574.71Héberger, Görgényi, et al., 200250. m/0.32 mm/1.05 «mu»m
CapillaryHP-160.574.8Héberger, Görgényi, et al., 200250. m/0.32 mm/1.05 «mu»m
CapillaryHP-170.574.97Héberger, Görgényi, et al., 200250. m/0.32 mm/1.05 «mu»m
CapillaryHP-190.574.76Héberger, Görgényi, et al., 200250. m/0.32 mm/1.05 «mu»m
CapillaryHP-1110.576.Héberger and Görgényi, 199950. m/0.32 mm/1.05 «mu»m, N2
CapillaryHP-150.575.Héberger and Görgényi, 199950. m/0.32 mm/1.05 «mu»m, N2
CapillaryHP-170.575.Héberger and Görgényi, 199950. m/0.32 mm/1.05 «mu»m, N2
CapillaryHP-190.575.Héberger and Görgényi, 199950. m/0.32 mm/1.05 «mu»m, N2
CapillarySE-30100.585.Golovnya, Syomina, et al., 199725. m/0.32 mm/1. «mu»m, He
CapillarySE-30110.587.Golovnya, Syomina, et al., 199725. m/0.32 mm/1. «mu»m, He
CapillarySE-3080.582.Golovnya, Syomina, et al., 199725. m/0.32 mm/1. «mu»m, He
CapillarySE-3090.583.Golovnya, Syomina, et al., 199725. m/0.32 mm/1. «mu»m, He
PackedPorapack Q200.570.Gawdzik and Matynia, 1994H2; Column length: 1. m
PackedC78, Branched paraffin130.537.5Reddy, Dutoit, et al., 1992Chromosorb G HP; Column length: 3.3 m
CapillarySE-54110.597.8Grigor'eva, Vasil'ev, et al., 198915. m/0.28 mm/2.5 «mu»m, Ar
CapillarySE-54130.598.0Grigor'eva, Vasil'ev, et al., 198915. m/0.28 mm/2.5 «mu»m, Ar
CapillarySE-54150.599.6Grigor'eva, Vasil'ev, et al., 198915. m/0.28 mm/2.5 «mu»m, Ar
CapillaryPoraPLOT Q200.580.de Zeeuw, de Nijs, et al., 1988H2; Column length: 25. m; Column diameter: 0.53 mm
CapillaryPoraPLOT Q200.581.de Zeeuw, de Nijs, et al., 1988H2; Column length: 25. m; Column diameter: 0.53 mm
PackedSqualane80.538.Fernández-Sánchez, García-Domínguez, et al., 1987H2
CapillaryApiezon L + KF60.591.Svetlova, Samusenko, et al., 198630. m/0.25 mm/0.06 «mu»m
PackedSE-30150.580.Tiess, 1984Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m
PackedApolane100.541.Castello and D'Amato, 1983He, Chromosorb G; Column length: 3. m
PackedApolane200.542.Castello and D'Amato, 1983He, Chromosorb G; Column length: 3. m
PackedSqualane100.533.Castello and D'Amato, 1983He, Chromosorb G; Column length: 3. m
PackedSqualane125.534.Castello and D'Amato, 1983He, Chromosorb G; Column length: 3. m
PackedSqualane200.544.Castello and D'Amato, 1983He, Chromosorb G; Column length: 3. m
PackedSE-30100.579.Winskowski, 1983Gaschrom Q; Column length: 2. m
PackedPorapack Q200.556.Goebel, 1982N2
PackedTriacontane80.543.Castello and D'Amato, 1979He, Chromosorb W AW (60-80 mesh); Column length: 3. m
PackedSqualane80.557.Castello and D'Amato, 1979He, Chromosorb W AW (60-80 mesh); Column length: 3. m
PackedSqualane100.552.3Gröbler and Bálizs, 1979Column length: 1. m
PackedSE-30150.574.Haken, Nguyen, et al., 1979Celatom AW silanized; Column length: 3.7 m
PackedApiezon L120.552.Bogoslovsky, Anvaer, et al., 1978Celite 545
PackedApiezon L160.553.Bogoslovsky, Anvaer, et al., 1978Celite 545
PackedApiezon L130.551.Bogoslovsky, Anvaer, et al., 1978 
PackedSE-30150.569.Haken, Ho, et al., 1975Column length: 3.7 m
PackedSqualane50.533.Mira and Sanchez, 1970Chromosorb G
PackedApiezon L100.551.Brown, Chapman, et al., 1968N2, DCMS-treated Chromosorb W; Column length: 2.3 m
PackedApiezon L150.554.Brown, Chapman, et al., 1968N2, DCMS-treated Chromosorb W; Column length: 2.3 m
PackedDC-200120.590.Reymond, Mueggler-Chavan, et al., 1966Celite; Column length: 4. m
PackedSE-3080.575.Viani, Müggler-Chavan, et al., 1965He, Chromosorb P; Column length: 6. m
PackedApiezon L130.551.Wehrli and Kováts, 1959Celite; Column length: 2.25 m
PackedApiezon L70.547.Wehrli and Kováts, 1959Celite; Column length: 2.25 m
PackedApiezon L130.548.von Kováts, 1958Celite (40:60 Gewichtsverhaltnis)
PackedApiezon L70.549.von Kováts, 1958Celite (40:60 Gewichtsverhaltnis)

Kovats' RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryCBP-1554.Shimadzu, 200325. m/0.2 mm/0.25 «mu»m, He, 50. C @ 5. min, 4. K/min; Tend: 200. C
CapillarySE-54602.Rembold, Wallner, et al., 198930. m/0.25 mm/0.25 «mu»m, He, 0. C @ 12. min, 12. K/min; Tend: 250. C
CapillaryOV-101543.Ohnishi and Shibamoto, 19842. K/min; Column length: 50. m; Column diameter: 0.23 mm; Tstart: 80. C; Tend: 200. C
CapillaryOV-101543.Ohnishi and Shibamoto, 19842. K/min; Column length: 50. m; Column diameter: 0.23 mm; Tstart: 80. C; Tend: 200. C

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

View large format table.

Column type Active phase I Reference Comment
CapillarySPB-1582.7Castello, 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
CapillaryDB-Wax40.917.39Ciaznska-Halarewicz and Kowalska, 2003Column length: 30. m; Column diameter: 0.32 mm
CapillaryDB-Wax50.922.33Ciaznska-Halarewicz and Kowalska, 2003Column length: 30. m; Column diameter: 0.32 mm
CapillaryDB-Wax60.925.59Ciaznska-Halarewicz and Kowalska, 2003Column length: 30. m; Column diameter: 0.32 mm
CapillaryDB-Wax70.928.27Ciaznska-Halarewicz and Kowalska, 2003Column length: 30. m; Column diameter: 0.32 mm
CapillaryDB-Wax80.931.34Ciaznska-Halarewicz and Kowalska, 2003Column length: 30. m; Column diameter: 0.32 mm
CapillaryDB-Wax90.935.77Ciaznska-Halarewicz and Kowalska, 2003Column length: 30. m; Column diameter: 0.32 mm
CapillaryDB-Wax100.940.31Ciaznska-Halarewicz and Kowalska, 2003Column length: 30. m; Column diameter: 0.32 mm
CapillaryDB-Wax110.943.44Ciaznska-Halarewicz and Kowalska, 2003Column length: 30. m; Column diameter: 0.32 mm
CapillaryDB-Wax120.946.71Ciaznska-Halarewicz and Kowalska, 2003Column length: 30. m; Column diameter: 0.32 mm
CapillaryDB-Wax130.949.95Ciaznska-Halarewicz and Kowalska, 2003Column length: 30. m; Column diameter: 0.32 mm
CapillaryDB-Wax75.937.60Ciazynska-Halarewicz, Borucka, et al., 200230. m/0.32 mm/1. «mu»m, He
CapillaryDB-Wax100.938.60Ciazynska-Halarewicz, Borucka, et al., 200230. m/0.32 mm/1. «mu»m, He
CapillaryDB-Wax125.947.76Ciazynska-Halarewicz, Borucka, et al., 200230. m/0.32 mm/1. «mu»m, He
CapillaryHP-Innowax110.932.3Héberger and Görgényi, 199930. m/0.32 mm/0.5 «mu»m
CapillaryHP-Innowax50.919.8Héberger and Görgényi, 199930. m/0.32 mm/0.5 «mu»m
CapillaryHP-Innowax70.923.7Héberger and Görgényi, 199930. m/0.32 mm/0.5 «mu»m
CapillaryHP-Innowax90.927.8Héberger and Görgényi, 199930. m/0.32 mm/0.5 «mu»m
CapillarySupelcowax-1060.919.Castello, Vezzani, et al., 1991N2; Column length: 60. m; Column diameter: 0.75 mm
PackedCarbowax 20M75.930.Goebel, 1982N2, Kieselgur (60-100 mesh); Column length: 2. m

Kovats' RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryCBP-20905.Shimadzu, 200325. m/0.2 mm/0.25 «mu»m, He, 50. C @ 5. min, 4. K/min; Tend: 200. C
CapillaryDB-Wax881.Shimoda and Shibamoto, 1990He, 40. C @ 6. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 190. C
CapillaryDB-Wax900.Tatsuka, Suekane, et al., 199060. m/0.25 mm/0.25 «mu»m, He, 40. C @ 5. min, 3. K/min; Tend: 200. C
CapillaryDB-Wax900.Tatsuka, Suekane, et al., 199060. m/0.25 mm/0.25 «mu»m, He, 40. C @ 5. min, 3. K/min; Tend: 200. C
CapillaryDB-Wax893.Umano and Shibamoto, 1987He, 40. C @ 10. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C
PackedPEG-20M908.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

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Column type Active phase I Reference Comment
CapillaryPEG-20M891.Slizhov and Gavrilenko, 2001He; Column length: 10. m; Column diameter: 0.2 mm; Program: not specified
CapillarySupelcowax-10923.3Castello, Timossi, et al., 1988N2; Column length: 60. m; Column diameter: 0.75 mm; Program: not specified

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5622.Bylaite and Meyer, 200630. m/0.25 mm/1. «mu»m, 50. C @ 1. min, 10. K/min, 290. C @ 10. min
CapillaryCP-Sil 8CB-MS600.Elmore, Cooper, et al., 20050. m/0.25 mm/0.25 «mu»m, He, 40. C @ 2. min, 4. K/min, 280. C @ 5. min
CapillaryHP-5601.Insausti, Goñi, et al., 200550. m/0.32 mm/1.05 «mu»m, He, 35. C @ 15. min, 8. K/min, 220. C @ 5. min
CapillaryHP-5605.Solina, Baumgartner, et al., 200525. m/0.2 mm/1. «mu»m, He, 5. K/min, 280. C @ 5. min; Tstart: 40. C
CapillaryCP-Sil 8CB-MS604.Hierro, de la Hoz, et al., 200460. m/0.25 mm/0.25 «mu»m, 40. C @ 2. min, 4. K/min, 280. C @ 5. min
CapillaryHP-5597.Siegmund and Murkovic, 200430. m/0.25 mm/0.1 «mu»m, -30. C @ 1. min, 10. K/min, 250. C @ 5. min
CapillaryCP-Sil 8CB-MS602.Bruna, Hierro, et al., 200360. m/0.25 mm/0.25 «mu»m, 40. C @ 2. min, 4. K/min, 280. C @ 5. min
CapillaryPetrocol DH581.6Censullo, Jones, et al., 200350. m/0.25 mm/0.5 «mu»m, He, 35. C @ 10. min, 3. K/min, 200. C @ 10. min
CapillaryHP-5596.Isidorov, Vinogorova, et al., 200325. C @ 5. min, 3. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 150. C
CapillaryCP Sil 5 CB560.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
CapillaryDB-5594.7Xu, van Stee, et al., 200330. m/0.25 mm/1. «mu»m, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C
CapillaryCP Sil 8 CB605.Elmore, Campo, et al., 200260. m/0.25 mm/0.25 «mu»m, He, 40. C @ 2. min, 4. K/min; Tend: 280. C
CapillaryCP Sil 8 CB605.Elmore, Campo, et al., 200260. m/0.25 mm/0.25 «mu»m, He, 40. C @ 2. min, 4. K/min; Tend: 280. C
CapillaryCP Sil 8 CB606.Oruna-Concha, Ames, et al., 200260. m/0.25 mm/0.25 «mu»m, He, 40. C @ 8. min, 4. K/min, 250. C @ 10. min
CapillaryBPX-5604.Ames, Guy, et al., 200150. m/0.32 mm/0.5 «mu»m, He, 60. C @ 5. min, 4. K/min, 250. C @ 10. min
CapillaryCP-Sil 8CB-MS604.Bruna, Hierro, et al., 200160. m/0.25 mm/0.25 «mu»m, 40. C @ 2. min, 4. K/min; Tend: 280. C
CapillarySPB-1569.Larráyoz, Addis, et al., 200130. m/0.32 mm/4. «mu»m, He, 45. C @ 13. min, 5. K/min, 240. C @ 5. min
CapillaryCP Sil 8 CB602.Elmore, Mottram, et al., 200060. m/0.25 mm/0.25 «mu»m, He, 40. C @ 2. min, 4. K/min; Tend: 280. C
CapillarySPB-5600.Verdier-Metz., Coulon, et al., 199860. m/0.32 mm/1. «mu»m, He, 40. C @ 5. min, 3. K/min, 200. C @ 2. min
CapillaryDB-5603.Madruga and Mottram, 199830. m/0.32 mm/1. «mu»m, 60. C @ 5. min, 4. K/min, 250. C @ 20. min
CapillaryDB-1575.Bartelt, 199730. m/0.32 mm/5. «mu»m, He, 35. C @ 1. min, 10. K/min; Tend: 270. C
CapillaryDB-1577.Helmig, Pollock, et al., 199630. m/0.25 mm/1. «mu»m, 6. K/min; Tstart: -50. C; Tend: 180. C
CapillaryOV-101585.Misharina, Golovnya, et al., 199250. m/0.31 mm/0.5 «mu»m, He, 4. K/min; Tstart: 50. C; Tend: 250. C
CapillaryDB-1572.Zhang and Ho, 199160. m/0.25 mm/0.25 «mu»m, He, 2. K/min, 220. C @ 10. min; Tstart: 40. C
CapillaryDB-5579.Guichard and Souty, 1988H2, 30. C @ 5. min, 1.5 K/min; Column length: 0.32 m; Column diameter: 1. mm; Tend: 180. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-1570.Place, Imhof, et al., 200360. m/0.32 mm/1. «mu»m, He; Program: 35C(5min) => 10C/min => 45C (5min) => 5C/min => 250C (10min)
CapillaryHP-5601.Engel, Baty, et al., 200230. m/0.25 mm/0.25 «mu»m, He; Program: 5C(5min) => 3C/min => 20C => 5C/min => 100C 15C/min => 150C (5min)
CapillaryCP Sil 8 CB611.Duckham, Dodson, et al., 200160. m/0.25 mm/0.25 «mu»m; Program: 0C => rapidly => 40C(8min) => 4C/min => 250C(10min)
PackedSE-30576.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

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Column type Active phase I Reference Comment
CapillaryCP-Wax 52CB897.Mahadevan and Farmer, 200660. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm
CapillarySupelcowax-10903.Elmore, Nisyrios, et al., 200560. m/0.25 mm/0.25 «mu»m, He, 40. C @ 2. min, 4. K/min; Tend: 280. C
CapillaryDB-Wax905.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-Wax926.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
CapillaryCarbowax912.7Censullo, Jones, et al., 200360. m/0.25 mm/0.5 «mu»m, He, 50. C @ 10. min, 5. K/min, 250. C @ 10. min
CapillaryCP-Wax 52CB885.Liu, Yang, et al., 2001H2, 2. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 50. C; Tend: 200. C
CapillaryDB-Wax915.Beauchene, Grua-Priol, et al., 200060. m/0.32 mm/0.5 «mu»m, He, 3. K/min, 160. C @ 5. min; Tstart: 30. C
CapillaryDB-Wax894.Cha, Kim, et al., 199860. m/0.25 mm/0.25 «mu»m, 40. C @ 5. min, 3. K/min, 200. C @ 60. min
CapillaryFFAP908.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-Wax888.Shimoda, Peralta, et al., 199660. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 50. C; Tend: 230. C
CapillaryDB-Wax875.Shimoda, Shigematsu, et al., 199560. m/0.25 mm/0.25 «mu»m, 2. K/min; Tstart: 50. C; Tend: 230. C
CapillaryDB-Wax905.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-Wax900.Sumitani, Suekane, et al., 1994He, 40. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C
CapillaryCP-WAX 57CB893.Baltes and Mevissen, 1988He, 50. C @ 5. min, 2. K/min; Column length: 50. m; Column diameter: 0.24 mm; Tend: 210. C
PackedCarbowax 20M882.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
CapillarySupelcowax-10905.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-10901.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-10907.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-10905.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-10908.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)
CapillaryCP-Wax 52CB903.Verzera, Ziino, et al., 200460. m/0.25 mm/0.25 «mu»m, He; Program: 45C(5min) => 10C/min => 80C => 2C/min => 240C
CapillaryDB-Wax904.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)
CapillaryFFAP882.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

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryPolydimethyl siloxane105.577.Tello, Lebron-Aguilar, et al., 2009 
CapillaryPolydimethyl siloxane75.576.Tello, Lebron-Aguilar, et al., 2009 
CapillaryPolydimethyl siloxane90.577.Tello, Lebron-Aguilar, et al., 2009 
CapillaryMethyl Silicone100.575.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryMethyl Silicone120.580.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryMethyl Silicone140.577.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryMethyl Silicone80.576.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryDB-160.578.Shimadzu, 2003, 260. m/0.32 mm/1. «mu»m, He
CapillaryOV-160.575.Amboni, Junkes, et al., 2002 
PackedSynachrom150.555.Dufka, Malinsky, et al., 1971Helium, Synachrom (60-80 mesh); Column length: 1.5 m
PackedSynachrom150.559.Dufka, Malinsky, et al., 1971Helium, Synachrom (60-80 mesh); Column length: 1.5 m
PackedDC-400150.560.Anderson, 1968Helium, Gas-Pak (60-80 mesh); Column length: 3.0 m

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxane: CP-Sil 5 CB573.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
CapillaryHP-5 MS602.Kotowska, Zalikowski, et al., 201230. m/0.25 mm/0.25 «mu»m, Helium, 35. C @ 5. min, 3. K/min, 300. C @ 15. min
CapillaryVF-5 MS592.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 MS592.Leffingwell and Alford, 201160. m/0.32 mm/0.25 «mu»m, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C
CapillaryOV-101578.Zenkevich, Eliseenkov, et al., 201125. m/0.20 mm/0.25 «mu»m, Nitrogen, 6. K/min; Tstart: 40. C; Tend: 240. C
CapillaryOV-101578.Zenkevich, Eliseenkov, et al., 201125. m/0.20 mm/0.25 «mu»m, Nitrogen, 6. K/min; Tstart: 40. C; Tend: 240. C
Capillary5 % Phenyl methyl siloxane600.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-5598.Vasta, Ratel, et al., 200760. m/0.32 mm/1. «mu»m, 40. C @ 5. min, 3. K/min, 230. C @ 5. min
CapillarySPB-5598.Vasta, Ratel, et al., 200760. m/0.32 mm/1. «mu»m, 40. C @ 5. min, 3. K/min, 230. C @ 5. min
CapillaryHP-5591.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-5601.8Leffingwell and Alford, 200560. m/0.32 mm/0.25 «mu»m, He, 30. C @ 2. min, 2. K/min, 260. C @ 28. min
CapillaryMDN-5589.van Loon, Linssen, et al., 200560. m/0.25 mm/0.25 «mu»m, He, 40. C @ 4. min, 4. K/min, 270. C @ 5. min
Capillary5 % Phenyl methyl siloxane597.Ramírez, Estévez, et al., 20040. m/0.25 mm/1. «mu»m, He, 40. C @ 10. min, 7. K/min, 250. C @ 5. min
CapillaryDB-5600.Joffraud, Leroi, et al., 200160. m/0.32 mm/1. «mu»m, He, 40. C @ 5. min, 3. K/min; Tend: 200. C
CapillaryHP-5600.García, Martín, et al., 200060. m/0.32 mm/1. «mu»m, He, 3. K/min; Tstart: 40. C; Tend: 240. C
CapillaryBP-1571.Health Safety Executive, 200050. m/0.22 mm/0.75 «mu»m, He, 5. K/min; Tstart: 50. C; Tend: 200. C
CapillaryOV-101569.Tamura, Boonbumrung, et al., 2000Nitrogen, 40. C @ 10. min, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tend: 200. C
CapillaryMethyl Silicone570.06Baraldi, Rapparini, et al., 199960. m/0.25 mm/0.25 «mu»m, 40. C @ 10. min, 5. K/min; Tend: 220. C
CapillarySE-54604.Ding, Deng, et al., 199835. C @ 3. min, 4. K/min; Column length: 25. m; Column diameter: 0.31 mm; Tend: 250. C
CapillaryDB-1575.Robacker and Bartelt, 199730. m/0.32 mm/0.5 «mu»m, He, 35. C @ 1. min, 10. K/min; Tend: 200. C
CapillarySE-54613.Bellesia, Pinetti, et al., 199625. m/0.2 mm/0.5 «mu»m, He, 35. C @ 2. min, 5. K/min; Tend: 250. C
CapillaryHP-5603.Larsen and Frisvad, 199535. C @ 2. min, 6. K/min; Tend: 200. C
CapillaryDB-1564.Yu and Ho, 199560. m/0.25 mm/1. «mu»m, He, 40. C @ 5. min, 2. K/min, 260. C @ 60. min
CapillaryDB-1576.Ciccioli, Cecinato, et al., 199260. m/0.32 mm/1.2 «mu»m, He, 30. C @ 10. min, 3. K/min; Tend: 240. C
CapillaryDB-5592.Macku and Shibamoto, 1991He, 40. C @ 5. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 160. C
CapillaryDB-1570.Habu, Flath, et al., 19853. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 0. C; Tend: 250. C
CapillaryOV-101572.del Rosario, de Lumen, et al., 1984He, 0. C @ 1. min, 3. K/min; Column length: 50. m; Column diameter: 0.31 mm; Tend: 225. C
CapillarySF96+Igepal575.Lorenz, Stern, et al., 198345. C @ 30. min, 2. K/min; Column length: 213. m; Column diameter: 0.7 mm; Tend: 200. C
CapillarySF96+Igepal577.Lorenz, Stern, et al., 198345. C @ 30. min, 2. K/min; Column length: 213. m; Column diameter: 0.7 mm; Tend: 200. C
CapillarySE-30580.Alves and Jennings, 1979Helium, 2. K/min; Tstart: 70. C; Tend: 170. C
CapillarySF-96580.Donetzhuber, Johansson, et al., 1976Nitrogen, 3. K/min, 130. C @ 40. min; Column length: 111. m; Column diameter: 0.76 mm; Initial hold: 8. min

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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5622.Fang, Pu, et al., 201230. m/0.25 mm/0.25 «mu»m, Helium; Program: 30 0C (1 min) 2 0C/min -> 100 0C (5 min) 5 0C/min -> 170 0C
CapillaryHP-5 MS602.Kotowska, Zalikowski, et al., 201230. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryDB-5583.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-5603.Rotsatschakul, Visesanguan, et al., 200960. m/0.25 mm/0.25 «mu»m, Helium; Program: 30 0C (2 min) 2 0Cmin -> 60 0C 10 0C/min -> 100 0C 20 0C/min -> 140 0C 10 0C/min -> 200 0C (10 min)
CapillarySqualane569.Chen, 2008Program: not specified
CapillaryHP-5597.Ventanas, Estevez, et al., 200850. m/0.32 mm/1.05 «mu»m, Helium; Program: 40 0C (10 min) 5 0C/min -> 200 0C 15 0C/min -> 250 0C (10 min)
CapillaryMethyl Silicone551.Chen and Feng, 2007Program: not specified
CapillaryDB-5 MS600.Liu, Xu, et al., 200760. m/0.32 mm/1.0 «mu»m, Helium; Program: 40 0C (2 min) 6 0C/min -> 100 0C 4 0C/min -> 180 0C 8 0C/min -> 250 0C (12 min)
CapillaryBPX-5600.van Ruth, Floris, et al., 200660. m/0.32 mm/1. «mu»m, He; Program: 40C(4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250C
CapillaryMethyl Silicone577.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)
CapillaryBPX-5604.Duflos, Moine, et al., 200560. m/0.25 mm/0.25 «mu»m, He; Program: 40C(5min) => 5C/min => 100C => 20C/min => 280C (5min)
CapillaryHP-5590.Thierry, Maillard, et al., 200560. m/0.32 mm/1. «mu»m; Program: not specified
CapillaryHP-5598.Garcia-Estaban, Ansorena, et al., 200450. m/0.32 mm/1.05 «mu»m; Program: 40C(10min) => 5C/min => 200C => 20C/min => 250C(5min)
CapillaryDB-5598.Garcia-Estaban, Ansorena, et al., 2004, 250. m/0.32 mm/1.05 «mu»m; Program: 40C(10min) => 5C/min => 200C => 20C/min => 250C (5min)
CapillaryHP-1575.Junkes, Amboni, et al., 2004Program: not specified
CapillaryBPX-5606.Machiels, Istasse, et al., 200460. m/0.32 mm/1. «mu»m, He; Program: 40C (4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250 C (10min)
CapillarySE-30579.Vinogradov, 2004Program: not specified
CapillaryPolydimethyl siloxane575.Junkes, Castanho, et al., 2003Program: not specified
CapillaryRTX-5 MS601.Machiels and Istasse, 200360. m/0.25 mm/0.5 «mu»m, He; Program: 35C (3min) => 10C/min => 50C => 4C/min => 200C => 50C/min => 250C (10min)
CapillaryDB-5MS590.Young, Lane, et al., 200330. m/0.25 mm/1. «mu»m; Program: 50C => 3C/min => 160C => 6C/min => 250C => 25C/min => 325C
CapillaryMethyl phenyl siloxane (not specified)596.Poligne, Collignan, et al., 2002Program: not specified
CapillaryMethyl Silicone551.N/AProgram: not specified
CapillaryCP Sil 8 CB612.Duckham, Dodson, et al., 200160. m/0.25 mm/0.25 «mu»m; Program: not specified
CapillaryBPX-5582.van Ruth, Grossmann, et al., 200160. m/0.32 mm/1. «mu»m, He; Program: -30C(1min) => 100C/min => 40C(4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250C
CapillaryPolydimethyl siloxane591.Spanier, Shahidi, et al., 2001Program: not specified
CapillaryCP-Sil5 CB MS578.Tirillini, Verdelli, et al., 200050. m/0.32 mm/0.4 «mu»m; Program: 0C (3min) => 3C/min => 50C => 5C/min => 220C (30min)
CapillaryDB-5589.Young and Baumeister, 199930. m/0.53 mm/1. «mu»m; Program: -40C(10min) => 70C/min => 40C(5min) => 3C/min => 180C => 6C/min => 280C(5min)
CapillarySE-54600.Ding, Deng, et al., 1998Column length: 25. m; Column diameter: 0.31 mm; Program: not specified
CapillarySE-54604.Ding, Deng, et al., 1998Column length: 25. m; Column diameter: 0.31 mm; Program: not specified
CapillarySPB-1572.Flanagan, Streete, et al., 199760. m/0.53 mm/5. «mu»m, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
CapillaryPolydimethyl siloxanes578.Zenkevich and Chupalov, 1996Program: not specified
CapillaryPolydimethyl siloxanes578.Zenkevich and Chupalov, 1996Program: not specified
CapillaryMethyl Silicone578.Misharina, 1995Program: not specified
CapillaryDB-1570.Ciccioli, Cecinato, et al., 199460. m/0.32 mm/0.25 «mu»m; Program: not specified
CapillaryDB-1570.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-1572.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-1579.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 «mu»m, Helium; Program: not specified
CapillaryDB-1559.Kawai, Ishida, et al., 199160. m/0.25 mm/0.25 «mu»m; Program: not specified
CapillaryDB-1560.Kawai, Ishida, et al., 199160. m/0.25 mm/0.25 «mu»m; Program: not specified
CapillaryCP Sil 8 CB598.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
Capillarymethyl silicone oil with 5% Igepal575.Schultz, Flath, et al., 1988Column length: 150. m; Column diameter: 0.75 mm; Program: not specified
Capillarymethyl silicone oil with 5% Igepal577.Schultz, Flath, et al., 1988Column length: 150. m; Column diameter: 0.75 mm; Program: not specified
CapillaryDB-1567.Takeoka, Flath, et al., 198830. m/0.25 mm/0.25 «mu»m, H2; Program: 30C (2min) => 2C/min => 150C => 4C/min => 250C
CapillaryDB-1568.Takeoka, Flath, et al., 198830. m/0.25 mm/0.25 «mu»m, H2; Program: 30C (2min) => 2C/min => 150C => 4C/min => 250C
CapillarySE-30552.P'yanova, Zvereva, et al., 1987Column length: 25. m; Column diameter: 0.25 mm; Program: not specified
CapillaryOV-101579.Shibamoto, 1987Program: not specified
CapillarySF96+Igepal580.Flath, Altieri, et al., 1984Column length: 152. m; Column diameter: 0.76 mm; Program: 25C(1min) => 5C/min => 50C (4min) => 1.25C/min => 180C
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.579.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryOV-1579.Ramsey and Flanagan, 1982Program: not specified
CapillarySE-30575.Heydanek and McGorrin, 1981He; Column length: 50. m; Column diameter: 0.5 mm; Program: -10C (8min) => 12C/min => 26C => 3C/min => 170C (30min)

Normal alkane RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryDB-Wax60.924.Shimadzu, 2003, 250. m/0.32 mm/1. «mu»m, He

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-FFAP914.Wanakhachornkrai and Lertsiri, 999925. m/0.32 mm/0.50 «mu»m, Helium, 15. K/min; Tstart: 45. C; Tend: 220. C
CapillaryHP-Innowax908.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
CapillaryZB-Wax918.Marin, Pozrl, et al., 200860. m/0.32 mm/0.50 «mu»m, Helium, 40. C @ 5. min, 4. K/min, 220. C @ 5. min
CapillaryCP-Wax 52CB893.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 52CB906.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 52CB906.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 52CB906.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
CapillaryDB-Wax918.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-Wax945.Rizzolo, Cambiaghi, et al., 200560. m/0.53 mm/1. «mu»m, 50. C @ 10. min, 3. K/min; Tend: 180. C
CapillarySupelcowax-10920.Rochat and Chaintreau, 200560. m/0.53 mm/1. «mu»m, He, 40. C @ 2. min, 4. K/min, 240. C @ 20. min
CapillaryTC-Wax907.Ishikawa, Ito, et al., 200460. m/0.25 mm/0.5 «mu»m, He, 40. C @ 8. min, 3. K/min; Tend: 230. C
CapillaryDB-Wax899.Tanaka, Yamauchi, et al., 200330. m/0.25 mm/0.25 «mu»m, 30. C @ 1. min, 4. K/min; Tend: 250. C
CapillaryDB-Wax901.Tanaka, Yamauchi, et al., 200330. m/0.25 mm/0.25 «mu»m, 30. C @ 1. min, 4. K/min; Tend: 250. C
CapillaryHP-FFAP914.Wanakhachornkrai and Lertsiri, 200325. m/0.32 mm/0.5 «mu»m, He, 15. K/min; Tstart: 45. C; Tend: 220. C
CapillaryFFAP888.Lecanu, Ducruet, et al., 200230. m/0.32 mm/1. «mu»m, He, 35. C @ 3. min, 5. K/min; Tend: 240. C
CapillaryHP-Wax866.Sanz, Maeztu, et al., 200260. m/0.25 mm/0.5 «mu»m, He, 40. C @ 6. min, 3. K/min; Tend: 190. C
CapillaryTC-Wax901.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
CapillaryHP-Wax866.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-Wax866.Sanz, Ansorena, et al., 200160. m/0.25 mm/0.5 «mu»m, He, 40. C @ 6. min, 3. K/min; Tend: 190. C
CapillarySupelcowax-10906.Girard and Durance, 200060. m/0.25 mm/0.25 «mu»m, He, 35. C @ 10. min, 4. K/min; Tend: 200. C
CapillaryDB-Wax912.Tamura, Boonbumrung, et al., 2000Nitrogen, 40. C @ 10. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C
CapillaryDB-Wax890.Iwatsuki, Mizota, et al., 19994. K/min; Column length: 30. m; Column diameter: 0.53 mm; Tstart: 60. C; Tend: 210. C
CapillaryDB-Wax923.Umano, Nakahara, et al., 199960. m/0.25 mm/0.25 «mu»m, He, 40. C @ 2. min, 2. K/min; Tend: 200. C
CapillaryDB-Wax911.Horiuchi, Umano, et al., 199860. m/0.25 mm/1. «mu»m, He, 3. K/min, 200. C @ 40. min; Tstart: 50. C
CapillaryDB-Wax953.Molleken U., Sinnwell V., et al., 199830. m/0.25 mm/0.25 «mu»m, N2, 3. K/min; Tstart: 45. C; Tend: 220. C
CapillaryDB-Wax912.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 20M888.Kawakami, Kobayashi, et al., 1993He, 60. C @ 4. min, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tend: 180. C
CapillaryCarbowax 20M888.Kawakami and Kobayashi, 1991He, 60. C @ 4. min, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tend: 180. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax889.Welke, Manfroi, et al., 201230. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryDB-Wax903.Welke, Manfroi, et al., 201230. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryHP-Innowax910.Feng, Zhuang, et al., 201160. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryDB-Wax894.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 CB906.Povolo, Cabassi, et al., 2011Program: not specified
CapillaryHP-Innowax909.Xiao, Dai, et al., 201160. m/0.25 mm/0.25 «mu»m, Helium; Program: 40 0C (2 min) 3 0C/min -> 150 0C 5 0C/min -> 220 0C (5 min)
CapillarySupelcowax 10882.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)
CapillarySupelcowax-10901.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-10907.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)
CapillaryDB-Wax909.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-Wax908.Gonzalez-Rios, Suarez-Quiroz, et al., 200730. m/0.25 mm/0.25 «mu»m, Hydrogen; Program: not specified
CapillaryHP-Innowax894.Viegas and Bassoli, 200760. m/0.32 mm/0.25 «mu»m, Helium; Program: 40 0C (5 min) 4 0C/min -> 60 0C (5 min) 8 0C/min -> 250 0C (3 min)
CapillaryHP-Innowax875.Viegas and Bassoli, 200760. m/0.32 mm/0.25 «mu»m, Helium; Program: not specified
CapillarySupelcowax-10881.Kourkoutas, Bosnea, et al., 200660. m/0.32 mm/0.25 «mu»m, He; Program: 35C(3min) => 5C/min => 110C => 10C/min => 240C (10min)
CapillaryInnowax920.Junkes, Amboni, et al., 2004Program: not specified
CapillaryDB-Wax904.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 20M908.Vinogradov, 2004Program: not specified
CapillaryCP-Wax 52CB908.Muresan, Eillebrecht, et al., 200050. m/0.32 mm/1.2 «mu»m; Program: 40C(10min) => 3C/min => 190C => 10C/min => 250C(5min)
CapillaryCarbowax 20M908.Shibamoto, 1987Program: not specified
CapillaryCarbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.930.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryCarbowax 20M908.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), Vibrational and/or electronic energy levels, 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.

Chao and Zwolinski, 1976
Chao, J.; Zwolinski, B.J., Ideal gas thermodynamic properties of propanone and 2-butanone, J. Phys. Chem. Ref. Data, 1976, 5, 319-328. [all data]

Buckley and Herington, 1965
Buckley, E.; Herington, E.F.G., Equilibria in some secondary alcohol + hydrogen + ketone systems, Trans. Faraday Soc., 1965, 61, 1618-1625. [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]

Sinke and Oetting, 1964
Sinke, G.C.; Oetting, F.L., The chemical thermodynamic properties of methyl ethyl ketone, J. Phys. Chem., 1964, 68, 1354-1358. [all data]

Chao J., 1986
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]

Sinke G.C., 1964
Sinke G.C., The chemical thermodynamic properties of methyl ethyl ketone, J. Phys. Chem., 1964, 68, 1354-1358. [all data]

Chao J., 1976
Chao J., Ideal gas thermodynamic properties of propanone and 2-butanone, J. Phys. Chem. Ref. Data, 1976, 5, 319-328. [all data]

Nickerson J.K., 1961
Nickerson J.K., The thermodynamic properties of the methyl ketone series, J. Phys. Chem., 1961, 65, 1037-1043. [all data]

von Geiseler G., 1973
von Geiseler G., The heat capacity and the heat of vaporization of isomeric butylmethylketones and propylacetates, Z. Phys. Chem. (Leipzig), 1973, 252, 170-176. [all data]

Vilcu R., 1975
Vilcu R., Determination of heat capacities of some alcohols and ketones in vapor phase, Rev. Roum. Chim., 1975, 20, 603-609. [all data]

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Kabo G.J., Thermodynamic properties, conformation, and phase transitions of cyclopentanol, J. Chem. Thermodyn., 1995, 27, 953-967. [all data]

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

Parks, Mosley, et al., 1950
Parks, G.S.; Mosley, J.R.; Peterson, P.V., Jr., Heats of combustion and formation of some organic compounds containing oxygen, J. Chem. Phys., 1950, 18, 152. [all data]

Moore, Renquist, et al., 1940
Moore, G.E.; Renquist, M.L.; Parks, G.S., Thermal data on organic compounds. XX. Modern combustion data for two methylnonanes, methyl ethyl ketone, thiophene and six cycloparaffins, J. Am. Chem. Soc., 1940, 62, 1505-1507. [all data]

Crog and Hunt, 1942
Crog, R.S.; Hunt, H., Heats of combustion. II. The heats of combustion of ethyl methyl ketone and ethylene oxide, J. Phys. Chem., 1942, 46, 1162-1163. [all data]

Andon, Counsell, et al., 1968
Andon, R.J.L.; Counsell, J.F.; Martin, J.F., Thermodynamic properties of organic oxygen compounds. Part XX. The low-temperature heat capacity and entropy of C4 and C5 ketones, J. Chem. Soc. A, 1968, 1894-1897. [all data]

Parks, Kennedy, et al., 1956
Parks, G.S.; Kennedy, W.D.; Gates, R.R.; Mosley, J.R.; Moore, G.E.; Renquist, M.L., Thermal data on organic compounds. XXVI. Some heat capacity, entropy and free energy data for seven compounds containing oxygen., Not In System, 1956, 78, 56-59. [all data]

Malhotra and Woolf, 1992
Malhotra, R.; Woolf, L.A., Thermodynamic properties of butan-2-one at temperatures from 278 to 338 K and pressures from 0.1 MPa to 280 MPa; predictions for higher ketones, J. Chem. Thermodynam., 1992, 24, 1207-1217. [all data]

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Reddy, K.S., Isentropic compressibilities of binary liquid mixtures at 303.15 and 313.15 K, J. Chem. Eng. Data, 1986, 31, 238-240. [all data]

Costas and Patterson, 1985
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Costas and Patterson, 1985, 2
Costas, M.; Patterson, D., Self-association of alcohols in inert solvents, J. Chem. Soc., Faraday Trans. 1, 1985, 81, 635-654. [all data]

Grolier and Benson, 1984
Grolier, J.-P.E.; Benson, G.C., Thermodynamic properties of binary mixtures containing ketones. VIII. Heat capacities and volumes of some n-alkanone + n-alkane mixtures at 298.15 K, Can. J. Chem., 1984, 62, 949-953. [all data]

Roux, Perron, et al., 1978
Roux, G.; Perron, G.; Desnoyers, J.E., The heat capacities and volumes of some low molecular weight amides, ketones, esters, and ethers in water over the whole solubility range, Can. J. Chem., 1978, 56, 2808-2814. [all data]

Grolier, Benson, et al., 1975
Grolier, J-P.E.; Benson, G.C.; Picker, P., Simultaneous measurements of heat capacities and densities of organic liquid mixtures-systems containing ketones, J. Chem. Eng. Data, 1975, 20, 243-246. [all data]

Rastorguev and Ganiev, 1967
Rastorguev, Yu.L.; Ganiev, Yu.A., Study of the heat capacity of selected solvents, Izv. Vyssh. Uchebn. Zaved. Neft Gaz. 10, 1967, No.1, 79-82. [all data]

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de Kolossowsky, N.A.; Udowenko, W.W., Mesure des chaleurs specifique moleculaires de quelques liquides, Compt. rend., 1933, 197, 519-520. [all data]

Wilhoit, Chao, et al., 1985
Wilhoit, R.C.; Chao, J.; Hall, K.R., Thermodynamic Properties of Key Organic Compounds in the Carbon Range C1 to C4. Part 1. Properties of Condensed Phases, J. Phys. Chem. Ref. Data, 1985, 14, 1. [all data]

Andon, Counsell, et al., 1968, 2
Andon, R.J.L.; Counsell, J.F.; Martin, J.F., Thermodynamic properties of organic oxygen compounds. Part XX. The low- temperature heat capacity and entropy of C4 and C5 ketones., J. Chem. Soc. A, 1968, 1968, 1894-7. [all data]

Sinke and Oetting, 1964, 2
Sinke, G.C.; Oetting, F.L., The Chemical Thermodynamic Properties of Methyl Ethyl Ketone, J. Phys. Chem., 1964, 68, 1354-8. [all data]

Parks, Kennedy, et al., 1956, 2
Parks, G.S.; Kennedy, W.D.; Gates, R.R.; Mosley, J.R.; Moore, G.E.; Renquist, M.L., Thermal Data on Organic Compounds XXVI. Some Heat Capacity, Entropy and Free Energy Data for Seven Compounds Containing Oxygen, J. Am. Chem. Soc., 1956, 78, 56-9. [all data]

Kobe, Crawford, et al., 1955
Kobe, K.A.; Crawford, H.R.; Stephenson, R.W., Critical Properties and Vapor Pressures of Some Ketones, Ind. Eng. Chem., 1955, 47, 1767-72. [all data]

Rosenbaum, 1951
Rosenbaum, M., , M.S. Thesis, Univ. Tex., Austin, TX, 1951. [all data]

Majer and Svoboda, 1985
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Stephenson and Malanowski, 1987
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Di Cave, Chianese, et al., 1978
Di Cave, Sergio; Chianese, Angelo; Prantera, Antonio, Vapor-liquid equilibrium of the system methylethylketone-sec-butyl alcohol, J. Chem. Eng. Data, 1978, 23, 4, 279-281, https://doi.org/10.1021/je60079a013 . [all data]

Geiseler, Quitzsch, et al., 1973
Geiseler, G.; Quitzsch, K.; Hofmann, H.-P.; Pfestorf, R.Z., Z. Phys. Chem. (Leipzig), 1973, 252, 170. [all data]

Nickerson, Kobe, et al., 1961
Nickerson, J.K.; Kobe, K.A.; McKetta, John J., THE THERMODYNAMIC PROPERTIES OF THE METHYL KETONE SERIES, J. Phys. Chem., 1961, 65, 6, 1037-1043, https://doi.org/10.1021/j100824a038 . [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Acree, 1991
Acree, William E., Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation, Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H . [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]

Chyall, Brickhouse, et al., 1994
Chyall, L.J.; Brickhouse, M.D.; Schnute, M.E.; Squires, R.R., Kinetic versus thermodynamic control in the deprotonation of unsymmetrical ketones in the gas phase, J. Am. Chem. Soc., 1994, 116, 19, 8681, https://doi.org/10.1021/ja00098a031 . [all data]

Zimmerman, Reed, et al., 1977
Zimmerman, A.H.; Reed, K.J.; Brauman, J.I., Photodetachment of electrons from enolate anions. Gas phase electron affinities of enolate radicals, J. Am. Chem. Soc., 1977, 99, 7203. [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]

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]

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]

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]

Graul and Squires, 1990
Graul, S.T.; Squires, R.R., Gas-Phase Acidities Derived from Threshold Energies for Activated Reactions, J. Am. Chem. Soc., 1990, 112, 7, 2517, https://doi.org/10.1021/ja00163a007 . [all data]

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Notes

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