Acetone

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Gas phase thermochemistry data

Go To: Top, Reaction thermochemistry data, IR Spectrum, Gas Chromatography, References, Notes

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

Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
ΔfH°gas-52.23 ± 0.14kcal/molCmWiberg, Crocker, et al., 1991ALS
ΔfH°gas-51.90 ± 0.12kcal/molCmChao and Zwolinski, 1976ALS
ΔfH°gas-51.99 ± 0.16kcal/molEqkBuckley and Herington, 1965ALS
ΔfH°gas-51.72kcal/molCmPennington and Kobe, 1957ALS
Quantity Value Units Method Reference Comment
ΔcH°gas-435.32 ± 0.20kcal/molCcbMiles and Hunt, 1941Corresponding ΔfHºgas = -51.78 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
12.36100.Chao J., 1986p=1 bar. Recommended values agree with results of statistical calculations [ Pennington R.E., 1957, Chao J., 1976] within 0.5-2.8 J/mol*K.; GT
13.43150.
14.63200.
16.99273.15
17.93 ± 0.026298.15
18.00300.
22.00400.
25.832500.
29.207600.
32.130700.
34.656800.
36.843900.
38.7401000.
40.3821100.
41.8071200.
43.0431300.
44.1161400.
45.0501500.

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
19.26 ± 0.19332.6Chao J., 1976Experimental data [ Vilcu R., 1975] differ substantially from data selected here. Their correctness seems to be doubtful (see [ Kabo G.J., 1995]). Please also see Bennewitz K., 1938, Collins B.T., 1949, Pennington R.E., 1957.; GT
19.35 ± 0.19334.
19.48 ± 0.038338.2
19.92 ± 0.20347.8
19.93 ± 0.20348.
20.80 ± 0.21363.
20.84 ± 0.041371.2
20.92 ± 0.21372.3
21.33 ± 0.21378.
21.95 ± 0.22393.
22.21 ± 0.045405.2
22.51 ± 0.22408.
22.30410.
23.13 ± 0.46422.6
23.76 ± 0.48428.
24.02 ± 0.48438.
23.58 ± 0.048439.2

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, IR Spectrum, Gas Chromatography, References, Notes

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

Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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

Reactions 1 to 50

Chlorine anion + Acetone = (Chlorine anion • Acetone)

By formula: Cl- + C3H6O = (Cl- • C3H6O)

Quantity Value Units Method Reference Comment
ΔrH°14. ± 2.kcal/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
ΔrS°18.2cal/mol*KPHPMSSieck, 1985gas phase; M
ΔrS°19.6cal/mol*KPHPMSFrench, Ikuta, et al., 1982gas phase; M
ΔrS°17.1cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
ΔrS°19.7cal/mol*KN/ALarson and McMahon, 1984gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
Quantity Value Units Method Reference Comment
ΔrG°8.08 ± 0.20kcal/molTDAsBofdanov and McMahon, 2002gas phase; B
ΔrG°7.30kcal/molTDAsHiraoka, Morise, et al., 1986gas phase; B
ΔrG°8.80 ± 0.30kcal/molTDAsSieck, 1985gas phase; B
ΔrG°8.2 ± 2.0kcal/molIMRELarson and McMahon, 1984, 2gas phase; B,M
ΔrG°7.9 ± 2.0kcal/molTDAsFrench, Ikuta, et al., 1982gas phase; B

C3H7O+ + Acetone = (C3H7O+ • Acetone)

By formula: C3H7O+ + C3H6O = (C3H7O+ • C3H6O)

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

Quantity Value Units Method Reference Comment
ΔrH°30.7kcal/molPHPMSMeot-Ner (Mautner) and Sieck, 1991gas phase; M
ΔrH°30.0kcal/molPHPMSSzulejko and McMahon, 1991gas phase; M
ΔrH°29.6kcal/molPHPMSHiraoka and Takimoto, 1986gas phase; M
ΔrH°31.5kcal/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
ΔrH°30.1kcal/molPHPMSLau, Saluja, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°28.2cal/mol*KPHPMSMeot-Ner (Mautner) and Sieck, 1991gas phase; M
ΔrS°30.6cal/mol*KPHPMSSzulejko and McMahon, 1991gas phase; M
ΔrS°29.3cal/mol*KPHPMSHiraoka and Takimoto, 1986gas phase; M
ΔrS°30.9cal/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
ΔrS°30.4cal/mol*KPHPMSLau, Saluja, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°22.3kcal/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

C3H7O2+ + Acetone = (C3H7O2+ • Acetone)

By formula: C3H7O2+ + C3H6O = (C3H7O2+ • C3H6O)

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

Quantity Value Units Method Reference Comment
ΔrH°30.0kcal/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
ΔrS°29.0cal/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
ΔrG°21.4kcal/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

C4H9O+ + Acetone = (C4H9O+ • Acetone)

By formula: C4H9O+ + C3H6O = (C4H9O+ • C3H6O)

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

Quantity Value Units Method Reference Comment
ΔrH°31.0kcal/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
ΔrS°30.6cal/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
ΔrG°21.9kcal/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

C4H9O+ + Acetone = (C4H9O+ • Acetone)

By formula: C4H9O+ + C3H6O = (C4H9O+ • C3H6O)

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

Quantity Value Units Method Reference Comment
ΔrH°29.4kcal/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
ΔrS°29.1cal/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
ΔrG°20.7kcal/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

C5H11O+ + Acetone = (C5H11O+ • Acetone)

By formula: C5H11O+ + C3H6O = (C5H11O+ • C3H6O)

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

Quantity Value Units Method Reference Comment
ΔrH°28.5kcal/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
ΔrS°29.0cal/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
ΔrG°19.9kcal/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

C3H5O- + Hydrogen cation = Acetone

By formula: C3H5O- + H+ = C3H6O

Quantity Value Units Method Reference Comment
ΔrH°368.8 ± 2.1kcal/molD-EABrinkman, Berger, et al., 1993gas phase; B
ΔrH°369.0 ± 2.1kcal/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
ΔrH°369.6 ± 2.6kcal/molG+TSCumming and Kebarle, 1978gas phase; B
ΔrH°367.6 ± 1.8kcal/molEIAEMuftakhov, Vasil'ev, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°361.9 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
ΔrG°362.4 ± 2.0kcal/molIMRECumming and Kebarle, 1978gas phase; B

C3H9Si+ + Acetone = (C3H9Si+ • Acetone)

By formula: C3H9Si+ + C3H6O = (C3H9Si+ • C3H6O)

Quantity Value Units Method Reference Comment
ΔrH°45.0kcal/molPHPMSWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°29.4cal/mol*KN/AWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
31.2468.PHPMSWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M

Sodium ion (1+) + Acetone = (Sodium ion (1+) • Acetone)

By formula: Na+ + C3H6O = (Na+ • C3H6O)

Quantity Value Units Method Reference Comment
ΔrH°31.2 ± 1.0kcal/molCIDTArmentrout and Rodgers, 2000RCD
ΔrH°30.8 ± 0.5kcal/molHPMSHoyau, Norrman, et al., 1999See 96KLA/AND?; RCD
ΔrH°24.4kcal/molCIDTKlassen, Anderson, et al., 1996RCD
ΔrH°33.4 ± 0.2kcal/molHPMSGuo, Conklin, et al., 1989gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°21000.cal/mol*KHPMSHoyau, Norrman, et al., 1999See 96KLA/AND?; RCD
ΔrS°26.1cal/mol*KHPMSGuo, Conklin, et al., 1989gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
24.1298.IMREMcMahon and Ohanessian, 2000Anchor alanine=39.89; RCD

(Copper ion (1+) • Acetone) + Acetone = (Copper ion (1+) • 2Acetone)

By formula: (Cu+ • C3H6O) + C3H6O = (Cu+ • 2C3H6O)

Quantity Value Units Method Reference Comment
ΔrH°50.2 ± 1.7kcal/molCIDTChu, 2002RCD
ΔrH°15.5kcal/molHPMSEl-Shall, Schriver, et al., 1989gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M
Quantity Value Units Method Reference Comment
ΔrS°25.cal/mol*KN/AEl-Shall, Schriver, et al., 1989gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M
Quantity Value Units Method Reference Comment
ΔrG°8.0kcal/molHPMSEl-Shall, Schriver, et al., 1989gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M

Copper ion (1+) + Acetone = (Copper ion (1+) • Acetone)

By formula: Cu+ + C3H6O = (Cu+ • C3H6O)

Quantity Value Units Method Reference Comment
ΔrH°47.5 ± 1.0kcal/molCIDTChu, 2002RCD
ΔrH°14.9kcal/molHPMSEl-Shall, Schriver, et al., 1989gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M
Quantity Value Units Method Reference Comment
ΔrS°25.cal/mol*KN/AEl-Shall, Schriver, et al., 1989gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M
Quantity Value Units Method Reference Comment
ΔrG°7.4kcal/molHPMSEl-Shall, Schriver, et al., 1989gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M

Water + Propane, 2,2-dimethoxy- = 2Methyl Alcohol + Acetone

By formula: H2O + C5H12O2 = 2CH4O + C3H6O

Quantity Value Units Method Reference Comment
ΔrH°4.86 ± 0.01kcal/molCmWiberg, Morgan, et al., 1994liquid phase; ALS
ΔrH°4.88 ± 0.01kcal/molCmWiberg and Squires, 1979liquid phase; Heat of hydrolysis; ALS
ΔrH°4.8836 ± 0.0067kcal/molCmWiberg and Squires, 1979, 2liquid phase; solvent: Water; Hydrolysis; ALS
ΔrH°-3.95 ± 0.05kcal/molCmStern and Dorer, 1962liquid phase; Reanalyzed by Cox and Pilcher, 1970, Original value = 3.69 ± 0.05 kcal/mol; Heat of hydrolysis; ALS

C3H9Sn+ + Acetone = (C3H9Sn+ • Acetone)

By formula: C3H9Sn+ + C3H6O = (C3H9Sn+ • C3H6O)

Quantity Value Units Method Reference Comment
ΔrH°37.4kcal/molPHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°30.9cal/mol*KN/AStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°21.2kcal/molPHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

(NH4+ • 4Acetone) + Acetone = (NH4+ • 5Acetone)

By formula: (H4N+ • 4C3H6O) + C3H6O = (H4N+ • 5C3H6O)

Quantity Value Units Method Reference Comment
ΔrH°10.1kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1996gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°24.0cal/mol*KN/AMeot-Ner (Mautner), Sieck, et al., 1996gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.5215.PHPMSMeot-Ner (Mautner), Sieck, et al., 1996gas phase; Entropy change calculated or estimated; M

CN- + Acetone = (CN- • Acetone)

By formula: CN- + C3H6O = (CN- • C3H6O)

Quantity Value Units Method Reference Comment
ΔrH°14.7 ± 3.5kcal/molIMRELarson and McMahon, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°22.5cal/mol*KN/ALarson and McMahon, 1987gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M
Quantity Value Units Method Reference Comment
ΔrG°8.0 ± 2.3kcal/molIMRELarson and McMahon, 1987gas phase; B,M

(Chlorine anion • 2Acetone) + Acetone = (Chlorine anion • 3Acetone)

By formula: (Cl- • 2C3H6O) + C3H6O = (Cl- • 3C3H6O)

Quantity Value Units Method Reference Comment
ΔrH°10.4 ± 2.0kcal/molTDAsHiraoka, Takimoto, et al., 1986gas phase; Entropy estimated; B,M
Quantity Value Units Method Reference Comment
ΔrS°22.cal/mol*KN/AHiraoka, Takimoto, et al., 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°3.8 ± 4.5kcal/molTDAsHiraoka, Takimoto, et al., 1986gas phase; Entropy estimated; B

Hydrogen + Acetone = Isopropyl Alcohol

By formula: H2 + C3H6O = C3H8O

Quantity Value Units Method Reference Comment
ΔrH°-16.43 ± 0.10kcal/molCmWiberg, Crocker, et al., 1991liquid phase; ALS
ΔrH°-13.20kcal/molEqkBuckley and Herington, 1965gas phase; ALS
ΔrH°-13.24 ± 0.10kcal/molChydDolliver, Gresham, et al., 1938gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -13.4 ± 0.1 kcal/mol; At 355 °K; ALS

MeCO2 anion + Acetone = (MeCO2 anion • Acetone)

By formula: C2H3O2- + C3H6O = (C2H3O2- • C3H6O)

Bond type: Hydrogen bonds of deprotonated acids to ketones/

Quantity Value Units Method Reference Comment
ΔrH°15.7 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°21.9cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°9.1 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

(Chlorine anion • Acetone) + Acetone = (Chlorine anion • 2Acetone)

By formula: (Cl- • C3H6O) + C3H6O = (Cl- • 2C3H6O)

Quantity Value Units Method Reference Comment
ΔrH°11.5 ± 1.0kcal/molTDAsHiraoka, Takimoto, et al., 1986gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°20.3cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°5.4 ± 2.2kcal/molTDAsHiraoka, Takimoto, et al., 1986gas phase; B

C6H5NO2- + Acetone = (C6H5NO2- • Acetone)

By formula: C6H5NO2- + C3H6O = (C6H5NO2- • C3H6O)

Quantity Value Units Method Reference Comment
ΔrH°14.20 ± 0.20kcal/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°26.3cal/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°6.40 ± 0.40kcal/molTDAsSieck, 1985gas phase; B

Nitrogen oxide anion + Acetone = (Nitrogen oxide anion • Acetone)

By formula: NO2- + C3H6O = (NO2- • C3H6O)

Quantity Value Units Method Reference Comment
ΔrH°15.90 ± 0.10kcal/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°25.9cal/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°8.20 ± 0.20kcal/molTDAsSieck, 1985gas phase; B

(CAS Reg. No. 15520-32-8 • 4294967295Acetone) + Acetone = CAS Reg. No. 15520-32-8

By formula: (CAS Reg. No. 15520-32-8 • 4294967295C3H6O) + C3H6O = CAS Reg. No. 15520-32-8

Quantity Value Units Method Reference Comment
ΔrH°38.6 ± 1.0kcal/molN/ARamond, Davico, et al., 2000gas phase; B
ΔrH°3.6 ± 2.2kcal/molTherBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B

cyclopentadienide anion + Acetone = (cyclopentadienide anion • Acetone)

By formula: C5H5- + C3H6O = (C5H5- • C3H6O)

Quantity Value Units Method Reference Comment
ΔrH°13.5 ± 1.0kcal/molTDAsMeot-ner, 1988, 2gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°21.8cal/mol*KPHPMSMeot-ner, 1988, 2gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°7.0 ± 1.0kcal/molTDAsMeot-ner, 1988, 2gas phase; B

pyrrolide anion + Acetone = (pyrrolide anion • Acetone)

By formula: C4H4N- + C3H6O = (C4H4N- • C3H6O)

Quantity Value Units Method Reference Comment
ΔrH°13.1 ± 1.0kcal/molTDAsMeot-ner, 1988, 2gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°20.5cal/mol*KPHPMSMeot-ner, 1988, 2gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°7.0 ± 1.0kcal/molTDAsMeot-ner, 1988, 2gas phase; B

(Potassium ion (1+) • 2Acetone) + Acetone = (Potassium ion (1+) • 3Acetone)

By formula: (K+ • 2C3H6O) + C3H6O = (K+ • 3C3H6O)

Quantity Value Units Method Reference Comment
ΔrH°16.kcal/molHPMSSunner, 1984gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°24.cal/mol*KHPMSSunner, 1984gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
9.2293.ES/HPMSBlades, Klassen, et al., 1995gas phase; M

(C3H7O+ • 2Acetone) + Acetone = (C3H7O+ • 3Acetone)

By formula: (C3H7O+ • 2C3H6O) + C3H6O = (C3H7O+ • 3C3H6O)

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

Quantity Value Units Method Reference Comment
ΔrH°8.5kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°17.0cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M

(C3H7O+ • Acetone) + Acetone = (C3H7O+ • 2Acetone)

By formula: (C3H7O+ • C3H6O) + C3H6O = (C3H7O+ • 2C3H6O)

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

Quantity Value Units Method Reference Comment
ΔrH°12.2kcal/molPHPMSHiraoka, Morise, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°23.0cal/mol*KPHPMSHiraoka, Morise, et al., 1986gas phase; M

(MeCO2 anion • Acetone) + Acetone = (MeCO2 anion • 2Acetone)

By formula: (C2H3O2- • C3H6O) + C3H6O = (C2H3O2- • 2C3H6O)

Bond type: Hydrogen bonds of deprotonated acids to ketones/

Quantity Value Units Method Reference Comment
ΔrH°10.8kcal/molPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°17.9cal/mol*KPHPMSMeot-ner, 1988gas phase; M

CH6N+ + Acetone = (CH6N+ • Acetone)

By formula: CH6N+ + C3H6O = (CH6N+ • C3H6O)

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

Quantity Value Units Method Reference Comment
ΔrH°24.0kcal/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°23.2cal/mol*KPHPMSMeot-Ner, 1984gas phase; M

C3H5O- + Acetone = (C3H5O- • Acetone)

By formula: C3H5O- + C3H6O = (C3H5O- • C3H6O)

Quantity Value Units Method Reference Comment
ΔrH°>25.90kcal/molIMRBSheldon and Bowie, 1983gas phase; MeOH..F- + Me2CO ->; B
Quantity Value Units Method Reference Comment
ΔrG°>19.70kcal/molIMRBSheldon and Bowie, 1983gas phase; MeOH..F- + Me2CO ->; B

(Aluminum ion (1+) • Acetone) + Acetone = (Aluminum ion (1+) • 2Acetone)

By formula: (Al+ • C3H6O) + C3H6O = (Al+ • 2C3H6O)

Quantity Value Units Method Reference Comment
ΔrH°28.3kcal/molHPMSBauschlicher, Bouchard, et al., 1991gas phase; laser desorption; M
Quantity Value Units Method Reference Comment
ΔrS°30.7cal/mol*KHPMSBauschlicher, Bouchard, et al., 1991gas phase; laser desorption; M

Nitric oxide anion + Acetone = (Nitric oxide anion • Acetone)

By formula: NO- + C3H6O = (NO- • C3H6O)

Quantity Value Units Method Reference Comment
ΔrH°41.0kcal/molICRReents and Freiser, 1981gas phase; switching reaction,Thermochemical ladder(NO+)C2H5OH, Entropy change calculated or estimated; Farid and McMahon, 1978; M

Potassium ion (1+) + Acetone = (Potassium ion (1+) • Acetone)

By formula: K+ + C3H6O = (K+ • C3H6O)

Quantity Value Units Method Reference Comment
ΔrH°24.4kcal/molCIDTKlassen, Anderson, et al., 1996RCD
ΔrH°26.kcal/molHPMSSunner, 1984gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°24.cal/mol*KHPMSSunner, 1984gas phase; M

(Sodium ion (1+) • 2Acetone) + Acetone = (Sodium ion (1+) • 3Acetone)

By formula: (Na+ • 2C3H6O) + C3H6O = (Na+ • 3C3H6O)

Quantity Value Units Method Reference Comment
ΔrH°20.7 ± 0.2kcal/molHPMSGuo, Conklin, et al., 1989gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°30.0cal/mol*KHPMSGuo, Conklin, et al., 1989gas phase; M

(Sodium ion (1+) • 3Acetone) + Acetone = (Sodium ion (1+) • 4Acetone)

By formula: (Na+ • 3C3H6O) + C3H6O = (Na+ • 4C3H6O)

Quantity Value Units Method Reference Comment
ΔrH°14.7 ± 0.2kcal/molHPMSGuo, Conklin, et al., 1989gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°27.3cal/mol*KHPMSGuo, Conklin, et al., 1989gas phase; M

(Sodium ion (1+) • Acetone) + Acetone = (Sodium ion (1+) • 2Acetone)

By formula: (Na+ • C3H6O) + C3H6O = (Na+ • 2C3H6O)

Quantity Value Units Method Reference Comment
ΔrH°25.2 ± 0.1kcal/molHPMSGuo, Conklin, et al., 1989gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°24.6cal/mol*KHPMSGuo, Conklin, et al., 1989gas phase; M

(NH4+ • 2Acetone) + Acetone = (NH4+ • 3Acetone)

By formula: (H4N+ • 2C3H6O) + C3H6O = (H4N+ • 3C3H6O)

Quantity Value Units Method Reference Comment
ΔrH°15.8kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°26.0cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1996gas phase; M

(NH4+ • 3Acetone) + Acetone = (NH4+ • 4Acetone)

By formula: (H4N+ • 3C3H6O) + C3H6O = (H4N+ • 4C3H6O)

Quantity Value Units Method Reference Comment
ΔrH°13.1kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°24.4cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1996gas phase; M

(NH4+ • Acetone) + Acetone = (NH4+ • 2Acetone)

By formula: (H4N+ • C3H6O) + C3H6O = (H4N+ • 2C3H6O)

Quantity Value Units Method Reference Comment
ΔrH°20.3kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°24.9cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1996gas phase; M

(pyrrolide anion • Acetone) + Acetone = (pyrrolide anion • 2Acetone)

By formula: (C4H4N- • C3H6O) + C3H6O = (C4H4N- • 2C3H6O)

Quantity Value Units Method Reference Comment
ΔrH°10.7kcal/molPHPMSMeot-ner, 1988, 2gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°19.0cal/mol*KPHPMSMeot-ner, 1988, 2gas phase; M

(cyclopentadienide anion • Acetone) + Acetone = (cyclopentadienide anion • 2Acetone)

By formula: (C5H5- • C3H6O) + C3H6O = (C5H5- • 2C3H6O)

Quantity Value Units Method Reference Comment
ΔrH°9.8kcal/molPHPMSMeot-ner, 1988, 2gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°16.4cal/mol*KPHPMSMeot-ner, 1988, 2gas phase; M

NH4+ + Acetone = (NH4+ • Acetone)

By formula: H4N+ + C3H6O = (H4N+ • C3H6O)

Quantity Value Units Method Reference Comment
ΔrH°28.3kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°26.4cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1996gas phase; M

Lithium ion (1+) + Acetone = (Lithium ion (1+) • Acetone)

By formula: Li+ + C3H6O = (Li+ • C3H6O)

Quantity Value Units Method Reference Comment
ΔrH°44.5kcal/molICRStaley and Beauchamp, 1975gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M

C2H7OS+ + Acetone = (C2H7OS+ • Acetone)

By formula: C2H7OS+ + C3H6O = (C2H7OS+ • C3H6O)

Quantity Value Units Method Reference Comment
ΔrH°24.1kcal/molPHPMSLau, Saluja, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°24.5cal/mol*KPHPMSLau, Saluja, et al., 1980gas phase; M

(Potassium ion (1+) • Acetone) + Acetone = (Potassium ion (1+) • 2Acetone)

By formula: (K+ • C3H6O) + C3H6O = (K+ • 2C3H6O)

Quantity Value Units Method Reference Comment
ΔrH°21.kcal/molHPMSSunner, 1984gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°26.cal/mol*KHPMSSunner, 1984gas phase; M

Isopropyl Alcohol = Hydrogen + Acetone

By formula: C3H8O = H2 + C3H6O

Quantity Value Units Method Reference Comment
ΔrH°13.20kcal/molEqkBuckley and Herington, 1965gas phase; ALS
ΔrH°13.514kcal/molEqkKolb and Burwell, 1945gas phase; ALS

Magnesium ion (1+) + Acetone = (Magnesium ion (1+) • Acetone)

By formula: Mg+ + C3H6O = (Mg+ • C3H6O)

Quantity Value Units Method Reference Comment
ΔrH°67. ± 5.kcal/molICROperti, Tews, et al., 1988gas phase; switching reaction,Thermochemical ladder(Mg+)CH3OH; M

Hydrogen bromide + Bromoacetone = Acetone + Bromine

By formula: HBr + C3H5BrO = C3H6O + Br2

Quantity Value Units Method Reference Comment
ΔrH°7.4 ± 2.0kcal/molEqkKing, Golden, et al., 1971gas phase; Heat of bromination at 516-618 K; ALS

Dichlorothiolacetic acid + Acetone = Ethanethioic acid, dichloro-, S-(1-hydroxy-1-methylethyl) ester

By formula: C2H2Cl2OS + C3H6O = C5H8Cl2O2S

Quantity Value Units Method Reference Comment
ΔrH°-6.5 ± 0.1kcal/molEqkHorii, Kawamura, et al., 1972liquid phase; solvent: CD3COCD3; NMR; ALS

Thioacetic acid + Acetone = Ethanethioic acid, S-(1-hydroxy-1-methylethyl) ester

By formula: C2H4OS + C3H6O = C5H10O2S

Quantity Value Units Method Reference Comment
ΔrH°-6.5 ± 0.2kcal/molEqkHorii, Kawamura, et al., 1972liquid phase; solvent: CD3COCD3; NMR; ALS

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas Chromatography, References, Notes

Data compiled by: Coblentz Society, Inc.

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

Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, IR Spectrum, References, Notes

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

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

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryHP-1110.470.23Héberger, Görgényi, et al., 200250. m/0.32 mm/1.05 μm
CapillaryHP-120.470.9Héberger, Görgényi, et al., 200250. m/0.32 mm/1.05 μm
CapillaryHP-130.470.7Héberger, Görgényi, et al., 200250. m/0.32 mm/1.05 μm
CapillaryHP-140.470.1Héberger, Görgényi, et al., 200250. m/0.32 mm/1.05 μm
CapillaryHP-150.469.67Héberger, Görgényi, et al., 200250. m/0.32 mm/1.05 μm
CapillaryHP-160.469.5Héberger, Görgényi, et al., 200250. m/0.32 mm/1.05 μm
CapillaryHP-170.469.28Héberger, Görgényi, et al., 200250. m/0.32 mm/1.05 μm
CapillaryHP-190.469.41Héberger, Görgényi, et al., 200250. m/0.32 mm/1.05 μm
CapillaryHP-1110.470.Héberger and Görgényi, 199950. m/0.32 mm/1.05 μm, N2
CapillaryHP-150.470.Héberger and Görgényi, 199950. m/0.32 mm/1.05 μm, N2
CapillaryHP-170.469.Héberger and Görgényi, 199950. m/0.32 mm/1.05 μm, N2
CapillaryHP-190.469.Héberger and Görgényi, 199950. m/0.32 mm/1.05 μm, N2
CapillarySE-30100.481.Golovnya, Syomina, et al., 199725. m/0.32 mm/1. μm, He
CapillarySE-30110.484.Golovnya, Syomina, et al., 199725. m/0.32 mm/1. μm, He
CapillarySE-3080.477.Golovnya, Syomina, et al., 199725. m/0.32 mm/1. μm, He
CapillarySE-3090.478.Golovnya, Syomina, et al., 199725. m/0.32 mm/1. μm, He
CapillarySE-54110.488.7Grigor'eva, Vasil'ev, et al., 198915. m/0.28 mm/2.5 μm, Ar
CapillarySE-54130.488.2Grigor'eva, Vasil'ev, et al., 198915. m/0.28 mm/2.5 μm, Ar
CapillarySE-54150.485.0Grigor'eva, Vasil'ev, et al., 198915. m/0.28 mm/2.5 μm, Ar
CapillaryApiezon L + KF60.497.Svetlova, Samusenko, et al., 198630. m/0.25 mm/0.06 μm
PackedSE-30100.475.Winskowski, 1983Gaschrom Q; Column length: 2. m
PackedSqualane50.437.Becerra, Sánchez, et al., 1982N2, Chromosorb W-AM; Column length: 6. m
PackedSqualane50.437.Becerra, Sánchez, et al., 1982N2, Chromosorb W-AM; Column length: 6. m
PackedPorapack Q200.450.Goebel, 1982N2
PackedSqualane100.443.5Gröbler and Bálizs, 1979Column length: 1. m
PackedSE-30150.465.Haken, Nguyen, et al., 1979Celatom AW silanized; Column length: 3.7 m
PackedApiezon L120.441.Bogoslovsky, Anvaer, et al., 1978Celite 545
PackedApiezon L160.444.Bogoslovsky, Anvaer, et al., 1978Celite 545
PackedApiezon L70.439.Bogoslovsky, Anvaer, et al., 1978 
PackedSE-30150.459.Haken, Ho, et al., 1975Column length: 3.7 m
PackedApiezon L100.443.Brown, Chapman, et al., 1968N2, DCMS-treated Chromosorb W; Column length: 2.3 m
PackedDC-200100.472.Rohrschneider, 1966Column length: 4. m
PackedApiezon L100.450.Rohrschneider, 1966Column length: 5. m
PackedSE-3080.475.Viani, Müggler-Chavan, et al., 1965He, Chromosorb P; Column length: 6. m
PackedApiezon L130.450.Wehrli and Kováts, 1959Celite; Column length: 2.25 m
PackedApiezon L70.447.Wehrli and Kováts, 1959Celite; Column length: 2.25 m
PackedApiezon L70.439.von Kováts, 1958Celite (40:60 Gewichtsverhaltnis)

Kovats' RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillarySE-54503.Rembold, Wallner, et al., 198930. m/0.25 mm/0.25 μm, He, 0. C @ 12. min, 12. K/min; Tend: 250. C

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

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Column type Active phase I Reference Comment
CapillaryPetrocol DH-100477.55Haagen-Smit Laboratory, 1997He; Column length: 100. m; Column diameter: 0.2 mm; Program: 5C(10min) => 5C/min => 50C(48min) => 1.5C/min => 195C(91min)
PackedSE-30510.Minyard, Tumlinson, et al., 1967He, Chromasorb W; Column length: 6.1 m; Program: 150C (10min) => 15C/min => 200C(16min) => 10C/min => 240C
PackedApiezon L470.Minyard, Tumlinson, et al., 1967N2, Gas Chrom P; Column length: 3.0 m; Program: not specified

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryHP-Innowax110.843.5Héberger and Görgényi, 199930. m/0.32 mm/0.5 μm
CapillaryHP-Innowax50.835.0Héberger and Görgényi, 199930. m/0.32 mm/0.5 μm
CapillaryHP-Innowax70.837.5Héberger and Görgényi, 199930. m/0.32 mm/0.5 μm
CapillaryHP-Innowax90.840.8Héberger and Görgényi, 199930. m/0.32 mm/0.5 μm
CapillarySupelcowax-1060.832.Castello, Vezzani, et al., 1991N2; Column length: 60. m; Column diameter: 0.75 mm
PackedCarbowax 20M75.847.Goebel, 1982N2, Kieselgur (60-100 mesh); Column length: 2. m
PackedCarbowax 20M100.785.Kevei and Kozma, 1976Chromosorb
PackedCarbowax 4000105.842.Minyard, Tumlinson, et al., 1967N2, GAS Chrom P; Column length: 10. m
PackedCarbowax 20M100.824.Rohrschneider, 1966Column length: 2. m

Kovats' RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryCBP-20821.Shimadzu, 200325. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 200. C
CapillaryDB-Wax813.Umano, Hagi, et al., 1994He, 40. C @ 2. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C
CapillaryDB-Wax814.Tatsuka, Suekane, et al., 199060. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min; Tend: 200. C
CapillaryDB-Wax814.Tatsuka, Suekane, et al., 199060. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min; Tend: 200. C
CapillaryDB-Wax814.Tatsuka, Suekane, et al., 199060. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min; Tend: 200. C
CapillaryCarbowax 20M820.Nishimura, Yamaguchi, et al., 19892. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C
CapillaryDB-Wax818.Umano, Shoji, et al., 1986N2, 60. C @ 10. min, 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 200. C

Kovats' RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryPEG-20M794.Slizhov and Gavrilenko, 2001He; Column length: 10. m; Column diameter: 0.2 mm; Program: not specified

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

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Column type Active phase I Reference Comment
CapillaryHP-5503.Insausti, Goñi, et al., 200550. m/0.32 mm/1.05 μm, He, 35. C @ 15. min, 8. K/min, 220. C @ 5. min
CapillaryCP-Sil 8CB-MS500.Bruna, Hierro, et al., 200360. m/0.25 mm/0.25 μm, 40. C @ 2. min, 4. K/min, 280. C @ 5. min
CapillaryPetrocol DH475.3Censullo, Jones, et al., 200350. m/0.25 mm/0.5 μm, He, 35. C @ 10. min, 3. K/min, 200. C @ 10. min
CapillaryCP Sil 5 CB481.Pino, Almora, et al., 200360. m/0.32 mm/0.25 μm, He, 60. C @ 10. min, 3. K/min, 280. C @ 60. min
CapillaryCP Sil 5 CB481.Pino, Marbot, et al., 200230. m/0.25 mm/0.25 μm, H2, 60. C @ 10. min, 2. K/min, 280. C @ 40. min
CapillaryCP Sil 8 CB500.Elmore, Mottram, et al., 200060. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 280. C
CapillaryDB-1488.6Helmig, Klinger, et al., 199960. m/0.32 mm/1. μm, -50. C @ 2. min, 6. K/min; Tend: 175. C
CapillaryDB-1471.Bartelt, 199730. m/0.32 mm/5. μm, He, 35. C @ 1. min, 10. K/min; Tend: 270. C
CapillaryDB-1474.Helmig, Pollock, et al., 199630. m/0.25 mm/1. μm, 6. K/min; Tstart: -50. C; Tend: 180. C

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

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Column type Active phase I Reference Comment
CapillaryDB-1468.Place, Imhof, et al., 200360. m/0.32 mm/1. μm, He; Program: 35C(5min) => 10C/min => 45C (5min) => 5C/min => 250C (10min)
PackedSE-30466.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
CapillaryDB-Wax809.Mahattanatawee K., Perez-Cacho P.R., et al., 200730. m/0.32 mm/0.5 μm, He, 7. K/min, 240. C @ 5. min; Tstart: 40. C
CapillaryCP-Wax 52CB813.Alasalvar, Taylor, et al., 200560. m/0.25 mm/0.25 μm, 35. C @ 4. min, 3. K/min; Tend: 203. C
CapillaryDB-Wax834.Malliaa, Fernandez-Garcia, et al., 200560. m/0.32 mm/1. μm, He, 45. C @ 1. min, 5. K/min, 250. C @ 12. min
CapillaryDB-Wax842.Malliaa, Fernandez-Garcia, et al., 200560. m/0.32 mm/1. μm, He, 45. C @ 1. min, 5. K/min, 250. C @ 12. min
CapillaryDB-Wax814.Rega, Fournier, et al., 200430. m/0.32 mm/0.5 μm, He, 40. C @ 5. min, 5. K/min; Tend: 240. C
CapillaryCarbowax821.3Censullo, Jones, et al., 200360. m/0.25 mm/0.5 μm, He, 50. C @ 10. min, 5. K/min, 250. C @ 10. min
CapillaryDB-Wax814.Rega, Fournier, et al., 200330. m/0.32 mm/0.5 μm, 35. C @ 5. min, 5. K/min, 240. C @ 5. min
CapillaryFFAP802.Ott, Fay, et al., 199730. m/0.25 mm/0.25 μm, He, 20. C @ 1. min, 4. K/min, 200. C @ 1. min
CapillarySupelcowax-10813.Chung and Cadwallader, 199360. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 195. C @ 40. min
CapillaryDB-Wax818.Umano, Hagi, et al., 1992He, 40. C @ 10. min, 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 200. C
CapillaryCarbowax 20M811.Chen and Ho, 1988He, 1.5 K/min, 225. C @ 80. min; Column length: 60. m; Column diameter: 0.32 mm; Tstart: 50. C
CapillaryCarbowax 20M816.Chen, Kuo, et al., 1982He, 50. C @ 10. min, 1. K/min; Tend: 160. 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
CapillarySupelcowax-10813.Bianchi, Cantoni, et al., 200730. m/0.25 mm/0.25 μm; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 220C(1min)
CapillarySupelcowax-10814.Bianchi, Careri, et al., 200730. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)
CapillarySupelcowax-10819.Bianchi, Careri, et al., 200730. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)
CapillarySupelcowax-10813.Bianchi, Careri, et al., 200730. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)
CapillarySupelcowax-10812.Bianchi, Careri, et al., 200730. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)
CapillaryCP-Wax 52CB830.Verzera, Ziino, et al., 200460. m/0.25 mm/0.25 μm, He; Program: 45C(5min) => 10C/min => 80C => 2C/min => 240C
CapillaryDB-Wax808.Radovic, Careri, et al., 200130. m/0.25 mm/0.25 μm; Program: 30C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)
CapillaryFFAP808.Yasuhara, 198750. m/0.25 mm/0.25 μm, 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
CapillaryMethyl Silicone100.471.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryMethyl Silicone120.480.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryMethyl Silicone140.472.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryMethyl Silicone80.473.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryDB-160.472.Shimadzu, 2003, 260. m/0.32 mm/1. μm, He
CapillaryOV-160.470.Amboni, Junkes, et al., 2002 
PackedSynachrom150.466.Dufka, Malinsky, et al., 1971Helium, Synachrom (60-80 mesh); Column length: 1.5 m
PackedSynachrom150.468.Dufka, Malinsky, et al., 1971Helium, Synachrom (60-80 mesh); Column length: 1.5 m
PackedDC-400150.466.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 CB479.Bramston-Cook, 201360. m/0.25 mm/1.0 μm, Helium, 45. C @ 1.45 min, 3.6 K/min, 210. C @ 2.72 min
CapillaryHP-5 MS500.Kotowska, Zalikowski, et al., 201230. m/0.25 mm/0.25 μm, Helium, 35. C @ 5. min, 3. K/min, 300. C @ 15. min
CapillaryVF-5 MS496.Leffingwell and Alford, 201160. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C
CapillaryVF-5 MS496.Leffingwell and Alford, 201160. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C
CapillaryOV-101472.Zenkevich, Eliseenkov, et al., 201125. m/0.20 mm/0.25 μm, Nitrogen, 6. K/min; Tstart: 40. C; Tend: 240. C
Capillary5 % Phenyl methyl siloxane502.Ramirez R. and Cava R., 200730. m/0.25 mm/1. μm, He, 40. C @ 10. min, 7. K/min, 250. C @ 5. min
Capillary5 % Phenyl methyl siloxane502.Ramirez R. and Cava R., 200730. m/0.25 mm/1. μm, He, 40. C @ 10. min, 7. K/min, 250. C @ 5. min
CapillaryHP-5487.Isidorov, Purzynska, et al., 200630. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 3. K/min; Tend: 200. C
CapillaryHP-5476.6Leffingwell and Alford, 200560. m/0.32 mm/0.25 μm, He, 30. C @ 2. min, 2. K/min, 260. C @ 28. min
Capillary5 % Phenyl methyl siloxane503.Ramírez, Estévez, et al., 20040. m/0.25 mm/1. μm, He, 40. C @ 10. min, 7. K/min, 250. C @ 5. min
CapillaryDB-5500.Joffraud, Leroi, et al., 200160. m/0.32 mm/1. μm, He, 40. C @ 5. min, 3. K/min; Tend: 200. C
CapillaryBP-1487.Health Safety Executive, 200050. m/0.22 mm/0.75 μm, He, 5. K/min; Tstart: 50. C; Tend: 200. C
CapillarySE-30+Igepal474.Shibamoto and Jennings, 19771. K/min; Column length: 100. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 170. C
CapillarySE-30+Igepal474.Shibamoto and Jennings, 19771. K/min; Column length: 100. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 170. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5 MS500.Kotowska, Zalikowski, et al., 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryDB-5509.Miyazaki, Plotto, et al., 201160. m/0.25 mm/1.00 μm, Helium; Program: 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min)
CapillaryHP-5512.Pugliese, Sirtori, et al., 200950. m/0.32 mm/1.05 μm, Helium; Program: not specified
CapillarySqualane459.Chen, 2008Program: not specified
CapillarySLB-5MS471.Risticevic, Carasek, et al., 200810. m/0.18 mm/0.18 μm, Helium; Program: not specified
CapillaryMethyl Silicone450.Chen and Feng, 2007Program: not specified
CapillaryMethyl Silicone476.Blunden, Aneja, et al., 200560. m/0.32 mm/1.0 μm, Helium; Program: -50 0C (2 min) 8 0C/min -> 200 0C (7.75 min) 25 0C -> 225 0C (8 min)
CapillaryBPX-5501.Duflos, Moine, et al., 200560. m/0.25 mm/0.25 μm, He; Program: 40C(5min) => 5C/min => 100C => 20C/min => 280C (5min)
CapillaryHP-1470.Junkes, Amboni, et al., 2004Program: not specified
CapillaryPolydimethyl siloxane470.Junkes, Castanho, et al., 2003Program: not specified
CapillaryMethyl Silicone450.N/AProgram: not specified
CapillaryPolydimethyl siloxane497.Spanier, Shahidi, et al., 2001Program: not specified
CapillaryPolydimethyl siloxanes472.Zenkevich, 2001Program: not specified
CapillaryDB-5500.Dittmann and Nitz, 2000Program: not specified
CapillarySPB-1460.Flanagan, Streete, et al., 199760. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
CapillaryPolydimethyl siloxanes473.Zenkevich and Chupalov, 1996Program: not specified
CapillaryPolydimethyl siloxanes473.Zenkevich and Chupalov, 1996Program: not specified
CapillaryMethyl Silicone473.Zenkevich, Korolenko, et al., 1995Program: not specified
CapillaryDB-1465.Schuberth, 199430. m/0.25 mm/1. μm, He; Program: 40C (4min) => 10C/min => 200C => 50C/min => 250C
CapillarySPB-1460.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C
CapillarySPB-1469.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 μm, Helium; Program: not specified
CapillaryCP Sil 8 CB491.Weller and Wolf, 198940. m/0.25 mm/0.25 μm, He; Program: 30 0C (1 min) 15 0C/min -> 45 0C 3 0C/min -> 120 0C
Capillarymethyl silicone oil with 5% Igepal474.Schultz, Flath, et al., 1988Column length: 150. m; Column diameter: 0.75 mm; Program: not specified
Capillarymethyl silicone oil with 5% Igepal484.Schultz, Flath, et al., 1988Column length: 150. m; Column diameter: 0.75 mm; Program: not specified
CapillaryDB-1468.Takeoka, Flath, et al., 198830. m/0.25 mm/0.25 μm, H2; Program: 30C (2min) => 2C/min => 150C => 4C/min => 250C
CapillaryOV-1469.Ramsey and Flanagan, 1982Program: not specified
CapillarySE-30478.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-Wax60.834.Shimadzu, 2003, 250. m/0.32 mm/1. μm, He

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-FFAP832.Wanakhachornkrai and Lertsiri, 999925. m/0.32 mm/0.50 μm, Helium, 15. K/min; Tstart: 45. C; Tend: 220. C
CapillaryHP-Innowax841.Feng, Zhuang, et al., 201160. m/0.25 mm/0.25 μm, Helium, 60. C @ 1. min, 3. K/min, 220. C @ 5. min
CapillaryDB-Wax821.Ganeko, Shoda, et al., 20084. K/min; Column length: 60. m; Column diameter: 0.35 mm; Tstart: 40. C; Tend: 200. C
CapillaryCP-Wax 52CB812.Povolo, Contarini, et al., 200760. m/0.32 mm/0.5 μm, He, 40. C @ 8. min, 4. K/min, 220. C @ 20. min
CapillaryCP-Wax 52CB811.Povolo, Contarini, et al., 200760. m/0.32 mm/0.5 μm, He, 40. C @ 8. min, 4. K/min, 220. C @ 20. min
CapillaryCP-Wax 52CB823.Povolo, Contarini, et al., 200760. m/0.32 mm/0.5 μm, He, 40. C @ 8. min, 4. K/min, 220. C @ 20. min
CapillaryCP-Wax 52CB820.Povolo, Contarini, et al., 200760. m/0.32 mm/0.5 μm, He, 40. C @ 8. min, 4. K/min, 220. C @ 20. min
CapillaryDB-Wax810.Rizzolo, Cambiaghi, et al., 200560. m/0.53 mm/1. μm, 50. C @ 10. min, 3. K/min; Tend: 180. C
CapillarySupelcowax-10827.Rochat and Chaintreau, 200560. m/0.53 mm/1. μm, He, 40. C @ 2. min, 4. K/min, 240. C @ 20. min
CapillarySupelcowax-10827.Rochat and Chaintreau, 200560. m/0.53 mm/1. μm, He, 40. C @ 2. min, 4. K/min, 240. C @ 20. min
CapillarySupelcowax-10828.Rochat and Chaintreau, 200560. m/0.53 mm/1. μm, He, 40. C @ 2. min, 4. K/min, 240. C @ 20. min
CapillaryDB-Wax825.Chida, Sone, et al., 200460. m/0.25 mm/0.5 μm, 35. C @ 5. min, 4. K/min, 240. C @ 10. min
CapillaryDB-Wax811.Tanaka, Yamauchi, et al., 200330. m/0.25 mm/0.25 μm, 30. C @ 1. min, 4. K/min; Tend: 250. C
CapillaryDB-Wax816.Tanaka, Yamauchi, et al., 200330. m/0.25 mm/0.25 μm, 30. C @ 1. min, 4. K/min; Tend: 250. C
CapillarySupelcowax-10820.Vichi, Castellote, et al., 200330. m/0.25 mm/0.25 μm, He, 40. C @ 10. min, 3. K/min; Tend: 200. C
CapillarySupelcowax-10816.Vichi, Pizzale, et al., 200330. m/0.25 mm/0.25 μm, He, 40. C @ 10. min, 3. K/min; Tend: 200. C
CapillaryHP-FFAP832.Wanakhachornkrai and Lertsiri, 200325. m/0.32 mm/0.5 μm, He, 15. K/min; Tstart: 45. C; Tend: 220. C
CapillaryFFAP814.Lecanu, Ducruet, et al., 200230. m/0.32 mm/1. μm, He, 35. C @ 3. min, 5. K/min; Tend: 240. C
CapillaryDB-Wax845.Umano, Hagi, et al., 200260. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 2. K/min; Tend: 200. C
CapillaryDB-Wax798.Duque, Bonilla, et al., 200130. m/0.25 mm/0.25 μm, Helium, 4. K/min, 220. C @ 30. min; Tstart: 25. C
CapillaryDB-Wax825.Wei, Mura, et al., 200160. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 200. C
CapillarySupelcowax-10814.Girard and Durance, 200060. m/0.25 mm/0.25 μm, He, 35. C @ 10. min, 4. K/min; Tend: 200. C
CapillaryDB-Wax823.Lee and Shibamoto, 200030. m/0.25 mm/0.25 μm, He, 3. K/min, 180. C @ 40. min; Tstart: 50. C
CapillaryDB-Wax821.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-Wax846.Umano, Hagi, et al., 200060. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 2. K/min; Tend: 200. C
CapillaryDB-Wax805.Iwatsuki, Mizota, et al., 19994. K/min; Column length: 30. m; Column diameter: 0.53 mm; Tstart: 60. C; Tend: 210. C
CapillaryDB-Wax820.Umano, Nakahara, et al., 199960. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 2. K/min; Tend: 200. C
CapillaryCarbowax 20M810.Anker, Jurs, et al., 19902. K/min; Column length: 80. m; Column diameter: 0.2 mm; Tstart: 70. C; Tend: 170. C
CapillaryCarbowax 20M810.Mihara, Tateba, et al., 1988N2, 3. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C
CapillaryCarbowax 20M822.Mihara, Tateba, et al., 1988N2, 3. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C
CapillaryCarbowax 20M810.Mihara, Tateba, et al., 1987N2, 3. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C
CapillaryCarbowax 20M822.Mihara, Tateba, et al., 1987N2, 3. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C
CapillaryCarbowax 20M854.Labropoulos, Palmer, et al., 1982Helium, 10. K/min; Column length: 31. m; Column diameter: 0.50 mm; Tstart: 40. C; Tend: 200. C
PackedCarbowax 20M816.Tsao, 1969Helium, Chromosorb P HMDS, 5. K/min; Column length: 2. m; Tstart: 40. C; Tend: 200. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax800.Welke, Manfroi, et al., 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryDB-Wax818.Welke, Manfroi, et al., 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryHP-Innowax845.Feng, Zhuang, et al., 201160. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillarySOLGel-Wax814.Johanningsmeier and McFeeters, 201130. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (2 min) 5 0C/min -> 140 0C 10 0C/min -> 250 0C (3 min)
CapillarySOLGel-Wax814.Johanningsmeier and McFeeters, 201130. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryDB-Wax775.Miyazaki, Plotto, et al., 201160. m/0.25 mm/0.50 μm, Helium; Program: 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min)
CapillaryCP-Wax 52 CB821.Povolo, Cabassi, et al., 2011Program: not specified
CapillaryHP-Innowax841.Cajka, Riddellova, et al., 201030. m/0.25 mm/0.25 μm, Helium; Program: 45 0C (1 min) 5 oC/min -> 170 0C 10 0C/min -> 260 0C (1 min)
CapillaryDB-Wax836.Kadar, Juan-Borras, et al., 201060. m/0.32 mm/1.0 μm, Helium; Program: 40 0C (2 min) 4 0C/min -> 190 0C (11 min) 8 0C/min -> 220 0C (8 min)
CapillarySupelko CO Wax816.Vekiari, Orepoulou, et al., 201060. m/0.32 mm/0.25 μm, Helium; Program: 40 0C (5 min) 4 0C/min -> 75 0C 5 0C/min -> 250 0C (10 min)
CapillarySupelko CO Wax813.Vekiari, Orepoulou, et al., 201060. m/0.32 mm/0.25 μm, Helium; Program: not specified
CapillarySupelcowax 10815.Soria, Martinez-Castro, et al., 200850. m/0.25 mm/0.25 μm, Helium; Program: 45 0C (15 min) 3 0C/min -> 75 0C 5 0C/min -> 180 0C (10 min)
CapillarySupelcowax-10814.Berard, Bianchi, et al., 200730. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min)
CapillarySupelcowax-10819.Berard, Bianchi, et al., 200730. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min)
CapillaryHP-Innowax788.Viegas and Bassoli, 200760. m/0.32 mm/0.25 μm, Helium; Program: 40 0C (5 min) 4 0C/min -> 60 0C (5 min) 8 0C/min -> 250 0C (3 min)
CapillaryHP-Innowax823.Viegas and Bassoli, 200760. m/0.32 mm/0.25 μm, Helium; Program: not specified
CapillarySupelcowax-10847.Kourkoutas, Kandylis, et al., 200660. m/0.32 mm/0.25 μm, He; Program: 35C(3min) => 5C/min => 110C => 10C/min => 240C (10min)
CapillaryInnowax835.Junkes, Amboni, et al., 2004Program: not specified
CapillaryCarbowax 20M810.Vinogradov, 2004Program: not specified
CapillaryCP-Wax 52CB824.Muresan, Eillebrecht, et al., 200050. m/0.32 mm/1.2 μm; Program: 40C(10min) => 3C/min => 190C => 10C/min => 250C(5min)
CapillarySupelcowax 10815.Castioni and Kapetanidis, 199660. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (10 min) 2 0C/min -> 80 0C 3 0C/min -> 100 0C 4 0C/min -> 220 0C (30 min)
CapillarySupelcowax 10820.Castioni and Kapetanidis, 199660. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillarySupelcowax 10821.Castioni and Kapetanidis, 199660. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryPolyethylene Glycol820.Zenkevich, Korolenko, et al., 1995Program: not specified
CapillaryDB-Wax816.Peng, Yang, et al., 1991Program: not specified
CapillaryCarbowax 20M810.Shibamoto, 1987Program: not specified
CapillaryCarbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.847.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryCarbowax 20M819.Ramsey and Flanagan, 1982Program: not specified
CapillaryPolyethylene Glycol810.MacLeod and Pieris, 1981Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, IR Spectrum, Gas Chromatography, Notes

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

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

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]

Pennington and Kobe, 1957
Pennington, R.E.; Kobe, K.A., The thermodynamic properties of acetone, J. Am. Chem. Soc., 1957, 79, 300-305. [all data]

Miles and Hunt, 1941
Miles, C.B.; Hunt, H., Heats of combustion. I. The heat of combustion of acetone, J. Phys. Chem., 1941, 45, 1346-1359. [all data]

Chao J., 1986
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Pennington R.E., 1957
Pennington R.E., The thermodynamic properties of acetone, J. Am. Chem. Soc., 1957, 79, 300-305. [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]

Vilcu R., 1975
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Kabo G.J., 1995
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Collins B.T., 1949
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Sieck, 1985
Sieck, L.W., Thermochemistry of Solvation of NO2- and C6H5NO2- by Polar Molecules in the Vapor Phase. Comparison with Cl- and Variation with Ligand Structure., J. Phys. Chem., 1985, 89, 25, 5552, https://doi.org/10.1021/j100271a049 . [all data]

French, Ikuta, et al., 1982
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Larson and McMahon, 1984, 2
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Szulejko and McMahon, 1991
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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]

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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]

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Lau, Y.K.; Saluja, P.P.S.; Kebarle, P., The Proton in Dimethyl Sulfoxide and Acetone. Results from Gas - Phase Ion Equilibria Involving (Me2SO)nH+ and (Me2CO)nH+, J. Am. Chem. Soc., 1980, 102, 25, 7429, https://doi.org/10.1021/ja00545a004 . [all data]

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

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Cumming, J.B.; Kebarle, P., Summary of gas phase measurements involving acids AH. Entropy changes in proton transfer reactions involving negative ions. Bond dissociation energies D(A-H) and electron affinities EA(A), Can. J. Chem., 1978, 56, 1. [all data]

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

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

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

MacLeod and Pieris, 1981
MacLeod, A.J.; Pieris, N.M., Volatile flavor components of beli fruit (Aegle marmelos) and a processed product, J. Agric. Food Chem., 1981, 29, 6, 1262-1264, https://doi.org/10.1021/jf00108a040 . [all data]

Notes

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