Propanal, 2-methyl-

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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
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Δfgas-215.8 ± 1.5kJ/molCmWiberg, Crocker, et al., 1991ALS
Δfgas-216.4kJ/molN/AGubareva and Gerasimov, 1990Value computed using ΔfHliquid° value of -247.9±0.7 kj/mol from Gubareva and Gerasimov, 1990 and ΔvapH° value of 31.5 kj/mol from Connett, 1975.; DRB
Δfgas-215.7 ± 1.3kJ/molEqkConnett, 1975Heat of dehydrogenation; ALS
Δfgas-218.kJ/molCcbTjebbes, 1962ALS

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfliquid-247.3 ± 0.92kJ/molCmWiberg, Crocker, et al., 1991 
Δfliquid-247.9 ± 0.7kJ/molCcbGubareva and Gerasimov, 1990 
Δfliquid-247.2 ± 1.3kJ/molEqkConnett, 1975Heat of dehydrogenation
Δfliquid-250.2 ± 0.75kJ/molCcbTjebbes, 1962 
Quantity Value Units Method Reference Comment
Δcliquid-2469.4 ± 0.7kJ/molCcbGubareva and Gerasimov, 1990Corresponding Δfliquid = -248.0 kJ/mol (simple calculation by NIST; no Washburn corrections)
Δcliquid-2467.2 ± 0.75kJ/molCcbTjebbes, 1962Corresponding Δfliquid = -250.2 kJ/mol (simple calculation by NIST; no Washburn corrections)

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes

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

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

Quantity Value Units Method Reference Comment
Tboil336. ± 2.KAVGN/AAverage of 24 out of 27 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus201.00KN/ATjebbes, 1962, 2Uncertainty assigned by TRC = 0.5 K; TRC
Tfus207.3KN/AAnonymous, 1958Uncertainty assigned by TRC = 2. K; TRC
Tfus145.KN/ACook, 1952Uncertainty assigned by TRC = 3. K; TRC
Tfus207.3KN/ATimmermans, 1922Uncertainty assigned by TRC = 0.4 K; TRC
Quantity Value Units Method Reference Comment
Δvap32.0 ± 0.9kJ/molAVGN/AAverage of 7 values; Individual data points

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
31.4318.N/AEng and Sandler, 1984Based on data from 313. to 324. K.; AC
31.8324.N/ABrazhnikov, Peshchenko, et al., 1976Based on data from 309. to 337. K.; AC
33.4340.EBWojtasinski, 1963Based on data from 333. to 347. K.; AC

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
286.08 to 336.003.873951060.141-63.196Seprakova, Paulech, et al., 1959Coefficents calculated by NIST from author's data.

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


Reaction thermochemistry data

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

Data compiled as indicated in comments:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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

Individual Reactions

C4H7O- + Hydrogen cation = Propanal, 2-methyl-

By formula: C4H7O- + H+ = C4H8O

Quantity Value Units Method Reference Comment
Δr1535. ± 13.kJ/molD-EAAlconcel, Deyerl, et al., 2001gas phase; B
Quantity Value Units Method Reference Comment
Δr1504. ± 13.kJ/molH-TSAlconcel, Deyerl, et al., 2001gas phase; B

Hydrogen + Propanal, 2-methyl- = 1-Propanol, 2-methyl-

By formula: H2 + C4H8O = C4H10O

Quantity Value Units Method Reference Comment
Δr-87.4 ± 0.3kJ/molCmWiberg, Crocker, et al., 1991liquid phase; ALS
Δr-68.1 ± 0.9kJ/molEqkConnett, 1975gas phase; Heat of dehydrogenation; ALS

(CAS Reg. No. 35730-34-8 • 4294967295Propanal, 2-methyl-) + Propanal, 2-methyl- = CAS Reg. No. 35730-34-8

By formula: (CAS Reg. No. 35730-34-8 • 4294967295C4H8O) + C4H8O = CAS Reg. No. 35730-34-8

Quantity Value Units Method Reference Comment
Δr176. ± 9.2kJ/molN/ABartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B

1-Propanol, 2-methyl- = Hydrogen + Propanal, 2-methyl-

By formula: C4H10O = H2 + C4H8O

Quantity Value Units Method Reference Comment
Δr68.1 ± 0.9kJ/molEqkConnett, 1975gas phase; Heat of dehydrogenation; ALS

Propane, 1,1-dimethoxy-2-methyl- + Water = 2Methyl Alcohol + Propanal, 2-methyl-

By formula: C6H14O2 + H2O = 2CH4O + C4H8O

Quantity Value Units Method Reference Comment
Δr36.39 ± 0.067kJ/molEqkWiberg and Squires, 1981liquid phase; ALS

Water + Propanal, 2-methyl- = 1,1-Propanediol, 2-methyl-

By formula: H2O + C4H8O = C4H10O2

Quantity Value Units Method Reference Comment
Δr-23.kJ/molEqkGreen and Hine, 1973liquid phase; ALS

3Propanal, 2-methyl- = 1,3,5-Trioxane, 2,4,6-tripropyl-

By formula: 3C4H8O = C12H24O3

Quantity Value Units Method Reference Comment
Δr-28.47kJ/molEqkOgorodnikov, Katsnel'son, et al., 1990liquid phase; PMR; ALS

Isobutylene epoxide = Propanal, 2-methyl-

By formula: C4H8O = C4H8O

Quantity Value Units Method Reference Comment
Δr-86.19kJ/molKinFarberov, Bondarenko, et al., 1984liquid phase; ALS

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes

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

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
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)9.71 ± 0.02eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)797.3kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity765.5kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
9.72PITraeger and McAdoo, 1986LBLHLM
9.705 ± 0.005PEHernandez, Masclet, et al., 1977LLK
9.69 ± 0.01PECocksey, Eland, et al., 1971LLK
9.74 ± 0.03PIWatanabe, Nakayama, et al., 1962RDSH
9.82PETam, Yee, et al., 1974Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C2H3O+10.29C2H5PITraeger and McAdoo, 1986LBLHLM

De-protonation reactions

C4H7O- + Hydrogen cation = Propanal, 2-methyl-

By formula: C4H7O- + H+ = C4H8O

Quantity Value Units Method Reference Comment
Δr1535. ± 13.kJ/molD-EAAlconcel, Deyerl, et al., 2001gas phase; B
Quantity Value Units Method Reference Comment
Δr1504. ± 13.kJ/molH-TSAlconcel, Deyerl, et al., 2001gas phase; B

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

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Due to licensing restrictions, this spectrum cannot be downloaded.

Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center, 1998.
NIST MS number 291424

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


Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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-1110.542.98Héberger, Görgényi, et al., 200250. m/0.32 mm/1.05 μm
CapillaryHP-120.540.0Héberger, Görgényi, et al., 200250. m/0.32 mm/1.05 μm
CapillaryHP-130.540.0Héberger, Görgényi, et al., 200250. m/0.32 mm/1.05 μm
CapillaryHP-150.540.32Héberger, Görgényi, et al., 200250. m/0.32 mm/1.05 μm
CapillaryHP-170.540.94Héberger, Görgényi, et al., 200250. m/0.32 mm/1.05 μm
CapillaryHP-190.541.57Héberger, Görgényi, et al., 200250. m/0.32 mm/1.05 μm
CapillaryHP-1110.543.Héberger and Görgényi, 199950. m/0.32 mm/1.05 μm, N2
CapillaryHP-150.540.Héberger and Görgényi, 199950. m/0.32 mm/1.05 μm, N2
CapillaryHP-170.541.Héberger and Görgényi, 199950. m/0.32 mm/1.05 μm, N2
CapillaryHP-190.542.Héberger and Görgényi, 199950. m/0.32 mm/1.05 μm, N2
CapillaryOV-3170.567.Buttery, Ling, et al., 1983Column length: 150. m; Column diameter: 0.64 mm
PackedApiezon L120.528.Bogoslovsky, Anvaer, et al., 1978Celite 545
PackedApiezon L160.536.Bogoslovsky, Anvaer, et al., 1978Celite 545
PackedDC-200120.540.Reymond, Mueggler-Chavan, et al., 1966Celite; Column length: 4. m
PackedSE-3080.550.Viani, Müggler-Chavan, et al., 1965He, Chromosorb P; Column length: 6. m

Kovats' RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillarySE-54554.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, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryHP-Innowax110.842.7Héberger and Görgényi, 199930. m/0.32 mm/0.5 μm
CapillaryHP-Innowax50.830.4Héberger and Görgényi, 199930. m/0.32 mm/0.5 μm
CapillaryHP-Innowax70.836.8Héberger and Görgényi, 199930. m/0.32 mm/0.5 μm
CapillaryHP-Innowax90.838.6Héberger and Görgényi, 199930. m/0.32 mm/0.5 μm
PackedCarbowax 4000105.842.Minyard, Tumlinson, et al., 1967N2, GAS Chrom P; Column length: 10. m

Kovats' RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-Wax801.Shimoda and Shibamoto, 1990He, 40. C @ 6. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 190. C
CapillaryDB-Wax812.Tatsuka, Suekane, et al., 199060. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min; Tend: 200. C
PackedPEG-20M800.Galt and MacLeod, 1984N2, Celite, 70. C @ 9. min, 10. K/min; Column length: 5.5 m; Tend: 175. C
CapillaryCarbowax 20M800.Shibamoto, Kamiya, et al., 1981N2, 2. K/min; Column length: 50. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C
CapillaryCarbowax 20M800.Shibamoto, Kamiya, et al., 1981N2, 2. K/min; Column length: 50. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C

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

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Column type Active phase I Reference Comment
CapillarySPB-5553.Engel and Ratel, 200760. m/0.32 mm/1. μm, 40. C @ 2. min, 3. K/min, 230. C @ 10. min
CapillaryDB-5550.Bylaite and Meyer, 200630. m/0.25 mm/1. μm, 50. C @ 1. min, 10. K/min, 290. C @ 10. min
CapillarySPB-5551.Deport, Ratel, et al., 200660. m/0.32 mm/1. μm, He, 40. C @ 5. min, 3. K/min, 230. C @ 5. min
CapillaryCP-Sil 8CB-MS553.Elmore, Cooper, et al., 20050. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min, 280. C @ 5. min
CapillaryCP-Sil 8CB-MS551.Hierro, de la Hoz, et al., 200460. m/0.25 mm/0.25 μm, 40. C @ 2. min, 4. K/min, 280. C @ 5. min
CapillaryHP-5552.Siegmund and Murkovic, 200430. m/0.25 mm/0.1 μm, -30. C @ 1. min, 10. K/min, 250. C @ 5. min
CapillaryDB-5546.Zhou, Wintersteen, et al., 200215. m/0.32 mm/0.5 μm, 30. C @ 2. min, 10. K/min, 225. C @ 20. min
CapillarySPB-1531.Larráyoz, Addis, et al., 200130. m/0.32 mm/4. μm, He, 45. C @ 13. min, 5. K/min, 240. C @ 5. min
CapillaryDB-5MS537.Lee, Suriyaphan, et al., 200160. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 200. C @ 30. min
CapillaryDB-5556.Rychlik and Bosset, 200130. m/0.053 mm/1.5 μm, He, 6. K/min; Tstart: 0. C; Tend: 230. C
CapillaryDB-1544.Kaiser and Siegl, 199460. m/0.32 mm/1. μm, -50. C @ 4. min, 6. K/min; 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
CapillaryHP-5MS552.Bonaiti, Irlinger, et al., 200530. m/0.25 mm/0.25 μm, He; Program: 5C(8min) => 3C/min => 20C => 10C/min => 150C(10min)
CapillaryDB-5557.Klesk and Qian, 200330. m/0.25 mm/0.25 μm, He; Program: 40C(2min) => 5C/min => 100C => 4C/min => 230C(10min)
CapillaryDB-5551.Klesk and Qian, 2003, 230. m/0.32 mm/1. μm, He; Program: 40C(2min) => 2C/min => 100C => 10C/min => 230C (5min)
CapillaryDB-1532.Place, Imhof, et al., 200360. m/0.32 mm/1. μm, He; Program: 35C(5min) => 10C/min => 45C (5min) => 5C/min => 250C (10min)
CapillaryHP-5558.Carrapiso, Jurado, et al., 200250. m/0.32 mm/1.05 μm; Program: 35C (5min) => 10C/min => 150C => 20C/min => 250C (10min)
CapillaryHP-5558.Carrapiso, Ventanas, et al., 200250. m/0.32 mm/1.05 μm; Program: 35C(5min) => 10C/min => 150C => 20C/min => 250C(10 min)
CapillaryDB-5550.Zehentbauer and Reineccius, 200230. m/0.25 mm/0.25 μm, He; Program: 35 C (2 min) 40 C/min -> 50 C (2 min) 4 C/min -> 230 C
CapillarySE-54554.Mutti and Grosch, 199960. m/0.32 mm/0.25 μm, He; Program: 40C(2min) => 5C/min => 70C(2min) => 6C/min => 250C(10min)
CapillarySE-54550.Fickert and Schieberle, 199825. m/0.32 mm/0.5 μm, He; Program: 35C (2min) => 4C/min => 150C => 10C/min => 240C
CapillarySE-54533.Kubícková and Grosch, 1997Column length: 30. m; Column diameter: 0.32 mm; Program: 35C (2min) => 40C/min => 50C (2min) => 4C/min => 250C (10min)
CapillarySE-54552.Münch, Hofmann, et al., 199730. m/0.32 mm/0.25 μm, He; Program: 40C (2min) => 40C/min => 50C (2min) => 240C (10min)

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

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Column type Active phase I Reference Comment
CapillaryFFAP842.Lozano P.R., Miracle E.R., et al., 200730. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 10. K/min, 225. C @ 25. min
CapillaryCP-Wax 52CB833.Mahadevan and Farmer, 200660. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm
CapillarySupelcowax-10813.Elmore, Nisyrios, et al., 200560. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 280. C
CapillaryDB-Wax828.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-FFAP770.Avsar, Karagul-Yuceer, et al., 200415. m/0.32 mm/0.25 μm, He, 35. C @ 5. min, 10. K/min, 225. C @ 15. min
CapillaryDB-Wax813.Wu and Cadwallader, 200230. m/0.32 mm/1. μm, He, 40. C @ 5. min, 10. K/min, 200. C @ 30. min
CapillaryDB-Wax812.Wu and Cadwallader, 200230. m/0.53 mm/1. μm, He, 40. C @ 5. min, 10. K/min, 200. C @ 30. min
CapillaryDB-FFAP839.Zhou, Wintersteen, et al., 200215. m/0.32 mm/0.25 μm, 30. C @ 2. min, 10. K/min, 225. C @ 20. min
CapillaryDB-FFAP770.Zhou, Wintersteen, et al., 200215. m/0.32 mm/0.25 μm, 30. C @ 2. min, 10. K/min, 225. C @ 20. min
CapillaryDB-Wax855.Lee, Suriyaphan, et al., 200160. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 200. C
CapillaryCP-Wax 52CB823.Liu, Yang, et al., 2001H2, 2. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 50. C; Tend: 200. C
CapillaryAT-Wax830.Pino and Marbot, 200160. m/0.32 mm/0.25 μm, He, 65. C @ 10. min, 2. K/min, 250. C @ 60. min
CapillaryDB-Wax789.Cha and Cadwallader, 199830. m/0.32 mm/0.25 μm, 40. C @ 5. min, 6. K/min, 200. C @ 30. min
CapillaryDB-Wax810.Cha, Kim, et al., 199860. m/0.25 mm/0.25 μm, 40. C @ 5. min, 3. K/min, 200. C @ 60. min
CapillaryDB-Wax800.Shimoda, Peralta, et al., 199660. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 230. C
CapillaryDB-Wax807.Shimoda, Shigematsu, et al., 199560. m/0.25 mm/0.25 μm, 2. K/min; Tstart: 50. C; Tend: 230. C

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

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Column type Active phase I Reference Comment
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-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)
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)
CapillaryFFAP830.Frauendorfer and Schieberle, 200625. m/0.32 mm/0.2 μm, He; Program: 40C(1min) => 40C/min => 60C(1min) => 6C/min => 180C => 15C/min => 240C
CapillaryFFAP820.Ranau, Kleeberg, et al., 200560. m/0.25 mm/0.5 μm, He; Program: 50C(3min) => 3C/min => 100C => 10C/min => 220C(13.5min)
CapillaryFFAP820.Ranau and Steinhart, 200560. m/0.25 mm/0.5 μm, He; Program: 50C(3min) => 3C/min => 100C => 10C/min => 220C (13.5min)
CapillaryCP-Wax 52CB802.Alasalvar, Shahidi, et al., 200360. m/0.25 mm/0.25 μm, He; Program: 40C => 5C/min => 60C => 2.5C/min => 155C
CapillaryHP-FFAP834.Carrapiso, Ventanas, et al., 200230. m/0.32 mm/0.25 μm; Program: 35C(5min) => 10C/min => 150C => 20C/min => 250C(10 min)
CapillaryFFAP821.Kirchhoff and Schieberle, 200230. m/0.32 mm/0.25 μm, He; Program: 35C (2min) => 60C/min => 50C (2min) => 6C/min => 240C (10min)
CapillaryFFAP821.Kirchhoff and Schieberle, 200130. m/0.32 mm/0.25 μm, He; Program: 40C(2min) => 40C/min => 60C(2min) => 6C/min => 240C(10min)
CapillaryDB-FFAP819.Mutti and Grosch, 199930. m/0.32 mm/0.25 μm, He; Program: 40C(2min) => 40C/min => 60C(2min) => 6C/min => 230C(10min)
CapillaryFFAP821.Münch, Hofmann, et al., 199730. m/0.32 mm/0.25 μm, He; Program: 40C (2min) => 40C/min => 60C (2min) => 240C (10min)
CapillaryCarbowax 20M850.Whitfield, Shea, et al., 1981Column length: 150. m; Column diameter: 0.75 mm; Program: not specified

Normal alkane RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-160.540.Amboni, Junkes, et al., 2002 
PackedApieson L120.535.Kurdina, Markovich, et al., 1969not specified, not specified

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryVF-5 MS554.Leffingwell and Alford, 201160. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C
CapillaryVF-5 MS558.Leffingwell and Alford, 201160. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C
CapillaryDB-5 MS548.Su, Wang, et al., 200930. m/0.25 mm/0.25 μm, Helium, 40. C @ 2. min, 4. K/min, 250. C @ 2. min
CapillaryRTX-5551.Berdague, Tournayre, et al., 200760. m/0.32 mm/1. μm, 40. C @ 5. min, 4. K/min, 205. C @ 5. min
CapillaryDB-5540.Gogus, Ozel, et al., 200760. m/0.32 mm/1.0 μm, Helium, 35. C @ 7. min, 15. K/min, 240. C @ 10. min
Capillary5 % Phenyl methyl siloxane553.Ramirez R. and Cava R., 200730. m/0.25 mm/1. μm, He, 40. C @ 10. min, 7. K/min, 250. C @ 5. min
CapillarySPB-5555.Vasta, Ratel, et al., 200760. m/0.32 mm/1. μm, 40. C @ 5. min, 3. K/min, 230. C @ 5. min
CapillarySPB-5555.Vasta, Ratel, et al., 200760. m/0.32 mm/1. μm, 40. C @ 5. min, 3. K/min, 230. C @ 5. min
CapillarySPB-5555.Vasta, Ratel, et al., 200760. m/0.32 mm/1. μm, 40. C @ 5. min, 3. K/min, 230. C @ 5. min
CapillaryDB-5595.Fadel, Mageed, et al., 2006He, 50. C @ 5. min, 4. K/min; Column length: 60. m; Column diameter: 0.32 mm; Tend: 250. C
CapillaryDB-5534.Fan and Qian, 200630. m/0.32 mm/1. μm, He, 40. C @ 2. min, 4. K/min, 250. C @ 15. min
CapillaryDB-5534.Fan and Qian, 200530. m/0.32 mm/0.25 μm, N2, 40. C @ 2. min, 4. K/min, 250. C @ 5. min
CapillaryHP-5556.0Leffingwell and Alford, 200560. m/0.32 mm/0.25 μm, He, 30. C @ 2. min, 2. K/min, 260. C @ 28. min
CapillaryMDN-5554.van Loon, Linssen, et al., 200560. m/0.25 mm/0.25 μm, He, 40. C @ 4. min, 4. K/min, 270. C @ 5. min
CapillaryMDN-5550.van Loon, Linssen, et al., 200560. m/0.25 mm/0.25 μm, He, 40. C @ 4. min, 4. K/min, 270. C @ 5. min
CapillaryDB-5MS560.Cadwallader and Heo, 200130. m/0.53 mm/1.5 μm, He, 40. C @ 5. min, 6. K/min, 225. C @ 30. min
CapillaryAT-1582.Kelling, 2001He, 50. C @ 2. min, 10. K/min; Tend: 300. C
CapillaryRSL-200552.Ngassoum, Jirovetz, et al., 200130. m/0.32 mm/0.25 μm, H2, 40. C @ 5. min, 6. K/min, 280. C @ 5. min
CapillaryHP-5553.García, Martín, et al., 200060. m/0.32 mm/1. μm, He, 3. K/min; Tstart: 40. C; Tend: 240. C
CapillaryOV-101532.Tamura, Boonbumrung, et al., 2000Nitrogen, 40. C @ 10. min, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tend: 200. C
CapillarySPB-5591.Doneanu and Anitescu, 199850. m/0.32 mm/0.25 μm, He, 3. K/min, 240. C @ 20. min; Tstart: 60. C
CapillaryCBP-1535.Lamarque, Maestri, et al., 1998He, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 240. C
CapillaryDB-1550.Buttery, Ling, et al., 199730. C @ 25. min, 4. K/min, 200. C @ 20. min; Column length: 60. m; Column diameter: 0.25 mm
CapillarySE-54582.Bellesia, Pinetti, et al., 199625. m/0.2 mm/0.5 μm, He, 35. C @ 2. min, 5. K/min; Tend: 250. C
CapillaryRTX-5550.Milo and Grosch, 199530. m/0.52 mm/1.5 μm, He, 6. K/min; Tstart: 5. C; Tend: 230. C
CapillaryRTX-5550.Milo and Grosch, 199530. m/0.52 mm/1.5 μm, He, 6. K/min; Tstart: 5. C; Tend: 230. C
CapillaryOV-101540.Misharina, Golovnya, et al., 199150. m/0.32 mm/0.5 μm, He, 4. K/min; Tstart: 50. C; Tend: 250. C
CapillaryDB-1531.Flath, Matsumoto, et al., 198960. m/0.32 mm/0.25 μm, 4. K/min; Tstart: 50. C; Tend: 250. C
CapillaryDB-1531.Flath, Matsumoto, et al., 198960. m/0.32 mm/0.25 μm, 4. K/min; Tstart: 50. C; Tend: 250. C
CapillaryOV-101532.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+Igepal534.Lorenz, Stern, et al., 198345. C @ 30. min, 2. K/min; Column length: 213. m; Column diameter: 0.7 mm; Tend: 200. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5532.Fang, Pu, et al., 201230. m/0.25 mm/0.25 μm, Helium; Program: 30 0C (1 min) 2 0C/min -> 100 0C (5 min) 5 0C/min -> 170 0C
CapillaryDB-5 MS550.Su, Wang, et al., 200930. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryHP-5547.Ventanas, Estevez, et al., 200850. m/0.32 mm/1.05 μm, Helium; Program: 40 0C (10 min) 5 0C/min -> 200 0C 15 0C/min -> 250 0C (10 min)
CapillaryDB-5552.Buettner, 200730. m/0.32 mm/0.25 μm; Program: 40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C(10min)
CapillaryHP-5558.Carrapiso and Garsia, 200750. m/0.32 mm/1.05 μm; Program: 35 0C (10 min) 10 0C/min -> 150 0C 20 0C/min -> 250 0C (10 min)
CapillaryDB-5 MS550.Liu, Xu, et al., 200760. m/0.32 mm/1.0 μm, Helium; Program: 40 0C (2 min) 6 0C/min -> 100 0C 4 0C/min -> 180 0C 8 0C/min -> 250 0C (12 min)
CapillaryMethyl Silicone542.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-5561.Duflos, Moine, et al., 200560. m/0.25 mm/0.25 μm, He; Program: 40C(5min) => 5C/min => 100C => 20C/min => 280C (5min)
CapillaryHP-5550.Garcia-Estaban, Ansorena, et al., 200450. m/0.32 mm/1.05 μm; Program: 40C(10min) => 5C/min => 200C => 20C/min => 250C(5min)
CapillaryDB-5550.Garcia-Estaban, Ansorena, et al., 2004, 250. m/0.32 mm/1.05 μm; Program: 40C(10min) => 5C/min => 200C => 20C/min => 250C (5min)
CapillaryHP-1540.Junkes, Amboni, et al., 2004Program: not specified
CapillaryPolydimethyl siloxane540.Junkes, Castanho, et al., 2003Program: not specified
CapillaryCP Sil 5 CB566.Counet, Callemien, et al., 200250. m/0.32 mm/1.2 μm; Program: 36C => 20C/min => 85C => 1C/min => 145C=3C/min => 250C(30min)
CapillaryPolydimethyl siloxane543.Spanier, Shahidi, et al., 2001Program: not specified
CapillaryDB-1538.Yen and Lin, 199960. m/0.32 mm/0.25 μm, N2; Program: 40 0C (10 min) 40 - 80 0C at 2 0C/min 80 - 200 0C at 5 0C/min 200 0C (10 min)
CapillaryRTX-5558.Masanetz, Guth, et al., 1998Program: not specified
CapillarySE-54547.Zehentbauer and Grosch, 199825. m/0.32 mm/0.25 μm, He; Program: 35C(2min) => 50C/min => 60C(2min) => 4C/min => 230C
CapillarySPB-1536.Flanagan, Streete, et al., 199760. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
CapillaryDB-5530.Mateo, Aguirrezábal, et al., 199750. m/0.32 mm/0.25 μm, He; Program: 40C(10min) => 3C/min => 95C => 10C/min => 270C(10min)
CapillaryDB-1531.Ciccioli, Cecinato, et al., 199460. m/0.32 mm/0.25 μm; Program: not specified
CapillarySPB-1536.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
CapillaryCP Sil 8 CB556.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% Igepal537.Schultz, Flath, et al., 1988Column length: 150. m; Column diameter: 0.75 mm; Program: not specified
Capillarymethyl silicone oil with 5% Igepal539.Schultz, Flath, et al., 1988Column length: 150. m; Column diameter: 0.75 mm; Program: not specified
CapillarySF96+Igepal541.Flath, Altieri, et al., 1984Column length: 152. m; Column diameter: 0.76 mm; Program: 25C(1min) => 5C/min => 50C (4min) => 1.25C/min => 180C
CapillarySE-30538.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, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-Innowax833.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-Wax814.Rochat, Egger, et al., 200930. m/0.25 mm/0.25 μm, Helium, 60. C @ 3. min, 8. K/min, 200. C @ 9.5 min
CapillaryDB-Wax819.Rochat, Egger, et al., 200930. m/0.25 mm/0.25 μm, Helium, 60. C @ 3. min, 8. K/min, 200. C @ 9.5 min
CapillaryDB-Wax821.Rochat, Egger, et al., 200930. m/0.25 mm/0.25 μm, Helium, 60. C @ 3. min, 8. K/min, 200. C @ 9.5 min
CapillaryDB-Wax831.Rochat, Egger, et al., 200930. m/0.25 mm/0.25 μm, Helium, 60. C @ 3. min, 8. K/min, 200. C @ 9.5 min
CapillaryDB-Wax834.Rochat, Egger, et al., 200930. m/0.25 mm/0.25 μm, Helium, 60. C @ 3. min, 8. K/min, 200. C @ 9.5 min
CapillaryZB-Wax827.Marin, Pozrl, et al., 200860. m/0.32 mm/0.50 μm, Helium, 40. C @ 5. min, 4. K/min, 220. C @ 5. min
CapillarySupelcowax-10814.Rochat and Chaintreau, 200560. m/0.53 mm/1. μm, He, 40. C @ 2. min, 4. K/min, 240. C @ 20. min
CapillaryTC-Wax822.Ishikawa, Ito, et al., 200460. m/0.25 mm/0.5 μm, He, 40. C @ 8. min, 3. K/min; Tend: 230. C
CapillaryPEG-20M807.Narain, Almeida, et al., 200450. m/0.20 mm/0.20 μm, 40. C @ 5. min, 3. K/min, 180. C @ 30. min
CapillaryTC-Wax817.Fukami, Ishiyama, et al., 200260. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 50. C; Tend: 230. C
CapillaryDB-Wax813.Cadwallader and Heo, 200130. m/0.53 mm/1. μm, He, 40. C @ 5. min, 6. K/min, 225. C @ 30. min
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-Wax820.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-Wax818.Umano, Hagi, et al., 200060. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 2. K/min; Tend: 200. C
CapillaryCarbowax 20M800.Anker, Jurs, et al., 19902. K/min; Column length: 80. m; Column diameter: 0.2 mm; Tstart: 70. C; Tend: 170. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-Innowax819.Feng, Zhuang, et al., 201160. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryHP-Innowax819.Xiao, Dai, et al., 201160. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (2 min) 3 0C/min -> 150 0C 5 0C/min -> 220 0C (5 min)
CapillaryDB-Wax808.Rochat, Egger, et al., 200930. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryFFAP830.Frauendorfer and Schieberle, 2008Helium; Program: not specified
CapillarySupelcowax-10812.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-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)
CapillaryDB-FFAP821.Buettner, 200730. m/0.32 mm/0.25 μm; Program: 40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C(10min)
CapillaryHP-FFAP834.Carrapiso and Garsia, 200730. m/0.32 mm/0.25 μm; Program: 35 0C (10 min) 10 0C/min -> 150 0C 20 0C/min -> 250 0C (10 min)
CapillaryInnowax830.Junkes, Amboni, et al., 2004Program: not specified
CapillaryDB-Wax825.Kim. J.H., Ahn, et al., 200460. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 200 0C
CapillaryCarbowax 20M800.Vinogradov, 2004Program: not specified
CapillarySupelcowax-10800.Chang, Seitz, et al., 199530. m/0.32 mm/0.25 μm, He; Program: 50C(2min) => 7C/min => 140C => 17.5C/min => 230C
CapillaryDB-Wax824.Peng, Yang, et al., 1991Program: not specified
CapillaryCarbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.817.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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]

Gubareva and Gerasimov, 1990
Gubareva, A.I.; Gerasimov, P.A., Physicochemical properties of isobutyraldehyde, J. Appl. Chem. USSR, 1990, 63, 844-846. [all data]

Connett, 1975
Connett, J.E., Chemical equilibria 6. Measurement of equilibrium constants for the dehydrogenation of 2-methylpropan-1-ol by a vapour-flow technique, J. Chem. Thermodyn., 1975, 7, 1159-1162. [all data]

Tjebbes, 1962
Tjebbes, J., Heats of combustion of propanal and 2-methyl propanal, Acta Chem. Scand., 1962, 16, 953-857. [all data]

Tjebbes, 1962, 2
Tjebbes, J., Acta Chem. Scand., 1962, 16, 953. [all data]

Anonymous, 1958
Anonymous, R., , Am. Pet. Inst. Res. Proj. 45, Ohio State Univ., 1958. [all data]

Cook, 1952
Cook, N.C., , Unpublished, Final Rep. Stand. Proj. on Oxygenated Compounds, Penn. State Univ., College Park, PA, 1952. [all data]

Timmermans, 1922
Timmermans, J., Investigation of the Freezing Point of Organic Substances VII, Bull. Soc. Chim. Belg., 1922, 31, 389. [all data]

Eng and Sandler, 1984
Eng, Robert; Sandler, Stanley I., Vapor-liquid equilibria for three aldehyde/hydrocarbon mixtures, J. Chem. Eng. Data, 1984, 29, 2, 156-161, https://doi.org/10.1021/je00036a017 . [all data]

Brazhnikov, Peshchenko, et al., 1976
Brazhnikov, M.M.; Peshchenko, A.D.; Ral'ko, O.V., Zh. Prikl. Khim. (Leningrad), 1976, 49, 1041. [all data]

Wojtasinski, 1963
Wojtasinski, Jerome G., Measurement of Total Pressures for Determining Liquid-Vapor Equilibrium Relations of the Binary System Isobutyraldehyde n-Butyraldehyde., J. Chem. Eng. Data, 1963, 8, 3, 381-385, https://doi.org/10.1021/je60018a028 . [all data]

Seprakova, Paulech, et al., 1959
Seprakova, M.; Paulech, J.; Dykyj, J., Dampfdruck der Butyraldehyde, Chem. Zvesti, 1959, 13, 313-316. [all data]

Alconcel, Deyerl, et al., 2001
Alconcel, L.S.; Deyerl, H.J.; Continetti, R.E., Effects of alkyl substitution on the energetics of enolate anions and radicals, J. Am. Chem. Soc., 2001, 123, 50, 12675-12681, https://doi.org/10.1021/ja0120431 . [all data]

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Wiberg and Squires, 1981
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Farberov, M.I.; Bondarenko, A.V.; Tsilyurik, T.V.; Srednev, S.S.; Shutova, I.A., Epoxidation of isobutene with organic hydroperoxides, and certain syntheses on this basis, J. Anal. Chem. USSR, 1984, 57, 1915-1919. [all data]

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Tam, Yee, et al., 1974
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Rembold, H.; Wallner, P.; Nitz, S.; Kollmannsberger, H.; Drawert, F., Volatile components of chickpea (Cicer arietinum L.) seed, J. Agric. Food Chem., 1989, 37, 3, 659-662, https://doi.org/10.1021/jf00087a018 . [all data]

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

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Shibamoto, T.; Kamiya, Y.; Mihara, S., Isolation and identification of volatile compounds in cooked meat: sukiyaki, J. Agric. Food Chem., 1981, 29, 1, 57-63, https://doi.org/10.1021/jf00103a015 . [all data]

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Bylaite, E.; Meyer, A.S., · Characterisation of volatile aroma compounds of orange juices by three dynamic and static headspace gas chromatography techniques, Eur. Food Res. Technol., 2006, 222, 1-2, 176-184, https://doi.org/10.1007/s00217-005-0141-8 . [all data]

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Deport, C.; Ratel, J.; Berdagué, J.-L.; Engel, E., Comprehensive combinatory standard correction: A calibration method for handling instrumental drifts of gas chromatography-mass spectrometry systems, J. Chromatogr. A, 2006, 1116, 1-2, 248-258, https://doi.org/10.1016/j.chroma.2006.03.092 . [all data]

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Notes

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