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Propanal

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Gas phase thermochemistry data

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

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

Quantity Value Units Method Reference Comment
Deltafgas-188.7 ± 0.75kJ/molCmWiberg, Crocker, et al., 1991Heat of hydrogenation; ALS
Deltafgas-186.0 ± 1.5kJ/molEqkConnett, 1972At 473-524 K; ALS
Deltafgas-190.6 ± 0.88kJ/molChydBuckley and Cox, 1967ALS
Deltafgas-192.kJ/molCcbTjebbes, 1962ALS
Quantity Value Units Method Reference Comment
gas304.4 ± 1.6J/mol*KN/AConnett, 1972This value was determined from the equilibrium measurements using improved experimental techniques. It agrees with values obtained by statistical mechanics. Earlier the value of 293.8(1.3) J/mol*K was obtained from equilibrium study [ Buckley E., 1967].; GT

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
77.50273.15Chao J., 1986p=1 bar. The values of thermodynamic functions of [ Frankiss S.G., 1974] were adopted by [ Chao J., 1986]. [ Chermin, 1961, Vasilev I.A., 1966] calculated the thermodynamic functions of the cis isomer only.; GT
80.73 ± 0.10298.15
80.98300.
96.39400.
112.90500.
128.50600.
142.60700.
155.20800.
166.40900.
176.301000.
185.101100.
192.901200.
199.801300.
206.101400.
211.701500.

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
84.53325.04Counsell J.F., 1972GT
88.39350.07
92.22374.50

Condensed phase thermochemistry data

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

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

Quantity Value Units Method Reference Comment
Deltafliquid-218.3 ± 0.63kJ/molCmWiberg, Crocker, et al., 1991Heat of hydrogenation; ALS
Deltafliquid-215.7 ± 1.5kJ/molEqkConnett, 1972At 473-524 K; ALS
Deltafliquid-220.2 ± 0.96kJ/molChydBuckley and Cox, 1967ALS
Deltafliquid-221.5 ± 0.75kJ/molCcbTjebbes, 1962ALS
Quantity Value Units Method Reference Comment
Deltacliquid-1816.5 ± 0.75kJ/molCcbTjebbes, 1962Corresponding «DELTA»fliquid = -221.5 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid212.9J/mol*KN/AKorkhov and Vasil'ev, 1977DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
159.1298.15Korkhov and Vasil'ev, 1977T = 15 to 335 K.; DH
134.7298.von Reis, 1881T = 288 to 328 K.; DH

Phase change data

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

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

Quantity Value Units Method Reference Comment
Tboil322. ± 2.KAVGN/AAverage of 39 out of 41 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus180. ± 20.KAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple171.32KN/AVasil'ev and Petrov, 1984Uncertainty assigned by TRC = 0.01 K; TRC
Ttriple171.15KN/AKorkhov and Vasil'ev, 1977, 2Uncertainty assigned by TRC = 0.1 K; TRC
Ttriple171.32KN/AKorkhov and Vasil'ev, 1977, 2Uncertainty assigned by TRC = 0.05 K; TRC
Quantity Value Units Method Reference Comment
Tc600. ± 200.KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Pc52.60barN/AGude and Teja, 1994Uncertainty assigned by TRC = 0.60 bar; by the flow method; TRC
Pc52.70barN/AGude and Teja, 1994Uncertainty assigned by TRC = 1.00 bar; by sealed ampule; TRC
Pc52.70barN/ATeja and Rosenthal, 1990Uncertainty assigned by TRC = 1.00 bar; TRC
Pc68.6983barN/ABougard and Jadot, 1977source of data not clear; TRC
Pc68.6984barN/ASvoboda, Vesely, et al., 1977Uncertainty assigned by TRC = 2.026 bar; TRC
Quantity Value Units Method Reference Comment
rhoc4.91mol/lN/AAnselme and Teja, 1990Uncertainty assigned by TRC = 0.09 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap29.7 ± 0.3kJ/molAVGN/AAverage of 11 values; Individual data points

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
28.31321.1N/AMajer and Svoboda, 1985 
28.320321.08N/AKorkhov and Vasil'ev, 1977DH
30.3305.AStephenson and Malanowski, 1987Based on data from 290. - 322. K. See also Dykyj, 1970.; AC
31.9265.EBStephenson and Malanowski, 1987Based on data from 250. - 330. K. See also Smith and Bonner, 1951.; AC
31.5278.N/AKim and Kim, 1977Based on data from 263. - 373. K.; AC
30.5301.N/AAmbrose and Sprake, 1974Based on data from 286. - 321. K.; AC
28.3321.N/ACounsell and Lee, 1972AC
29.4303.N/ACounsell and Lee, 1972AC
30.3286.N/ACounsell and Lee, 1972AC

Enthalpy of vaporization

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

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Temperature (K) A (kJ/mol) beta Tc (K) Reference Comment
286. - 321.44.480.2676496.2Majer and Svoboda, 1985 

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
8.590171.32Korkhov and Vasil'ev, 1977DH
8.59171.3Domalski and Hearing, 1996AC

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
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. 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

C3H5O- + Hydrogen cation = Propanal

By formula: C3H5O- + H+ = C3H6O

Quantity Value Units Method Reference Comment
Deltar1528. ± 8.8kJ/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar1531. ± 10.kJ/molG+TSCumming and Kebarle, 1978gas phase; B
Quantity Value Units Method Reference Comment
Deltar1501. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar1504. ± 8.4kJ/molIMRECumming and Kebarle, 1978gas phase; B

Propanal + Hydrogen = 1-Propanol

By formula: C3H6O + H2 = C3H8O

Quantity Value Units Method Reference Comment
Deltar-84.3 ± 0.4kJ/molCmWiberg, Crocker, et al., 1991liquid phase; solvent: Triglyme; Heat of hydrogenation; ALS
Deltar-69.55 ± 0.76kJ/molEqkConnett, 1972gas phase; At 473-524 K; ALS
Deltar-65.77 ± 0.67kJ/molChydBuckley and Cox, 1967gas phase; ALS

Nitric oxide anion + Propanal = (Nitric oxide anion bullet Propanal)

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

Quantity Value Units Method Reference Comment
Deltar159.kJ/molICRReents and Freiser, 1981gas phase; switching reaction,Thermochemical ladder(NO+)C2H5OH, Entropy change calculated or estimated; Farid and McMahon, 1978, ref. to PA(NH3)=872. kJ/mol; M

(C3H7O- bullet 4294967295Propanal) + Propanal = C3H7O-

By formula: (C3H7O- bullet 4294967295C3H6O) + C3H6O = C3H7O-

Quantity Value Units Method Reference Comment
Deltar172. ± 9.2kJ/molN/ABartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B

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

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

Quantity Value Units Method Reference Comment
Deltar270. ± 20.kJ/molICROperti, Tews, et al., 1988gas phase; switching reaction,Thermochemical ladder(Mg+)CH3OH; M

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

By formula: C5H12O2 + H2O = C3H6O + 2CH4O

Quantity Value Units Method Reference Comment
Deltar37.65 ± 0.071kJ/molEqkWiberg and Squires, 1981liquid phase; ALS

Propylene oxide = Propanal

By formula: C3H6O = C3H6O

Quantity Value Units Method Reference Comment
Deltar-98.7kJ/molEqkPolkovnikova and Lapiclus, 1974gas phase; At 300 K; ALS

Propanal = 2-Propen-1-ol

By formula: C3H6O = C3H6O

Quantity Value Units Method Reference Comment
Deltar-32.kJ/molEqkPolkovnikova and Lapiclus, 1974gas phase; At 300 K; ALS

Henry's Law data

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

Data compiled by: Rolf Sander

Henry's Law constant (water solution)

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

H (mol/kg*bar) d(ln(kH))/d(1/T) (K) Method Reference Comment
13.5700.MN/AThe data from Table 1 by missing citation was used to redo the regression analysis. The data for acetone in their Table 2 is wrong.
2.82400.XN/A 
13. CN/A 
13. MButtery, Ling, et al., 1969 
5.25600.XN/A 

Gas phase ion energetics data

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

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

Data compiled as indicated in comments:
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 C3H6O+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)9.96 ± 0.01eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)786.0kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity754.0kJ/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Reference Comment
0.000999 ± 0.000087Hammer, Diri, et al., 2003B

Ionization energy determinations

IE (eV) Method Reference Comment
9.96PITraeger, 1985LBLHLM
9.96PITraeger, 1985, 2LBLHLM
9.82 ± 0.14EIEl-Sherbini, Allam, et al., 1981LLK
9.95PIStaley, Wieting, et al., 1977LLK
9.953 ± 0.005PEHernandez, Masclet, et al., 1977LLK
9.99PETam, Yee, et al., 1974LLK
9.97 ± 0.01PECocksey, Eland, et al., 1971LLK
9.94PEDewar and Worley, 1969RDSH
9.98 ± 0.01PIWatanabe, Nakayama, et al., 1962RDSH
9.96PEBenoit and Harrison, 1977Vertical value; LLK
9.85PEKimura, Katsumata, et al., 1975Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CHO+11.79C2H5PITraeger, 1985LBLHLM
C2H3O+12.3 ± 0.05CH3EIBurgers and Holmes, 1982LBLHLM
C2H3O+10.79CH3PIStaley, Wieting, et al., 1977LLK
C3H5O+10.18HPITraeger, 1985, 2LBLHLM

De-protonation reactions

C3H5O- + Hydrogen cation = Propanal

By formula: C3H5O- + H+ = C3H6O

Quantity Value Units Method Reference Comment
Deltar1528. ± 8.8kJ/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar1531. ± 10.kJ/molG+TSCumming and Kebarle, 1978gas phase; B
Quantity Value Units Method Reference Comment
Deltar1501. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar1504. ± 8.4kJ/molIMRECumming and Kebarle, 1978gas phase; B

Ion clustering data

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

Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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

Clustering reactions

(C3H7O- bullet 4294967295Propanal) + Propanal = C3H7O-

By formula: (C3H7O- bullet 4294967295C3H6O) + C3H6O = C3H7O-

Quantity Value Units Method Reference Comment
Deltar172. ± 9.2kJ/molN/ABartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B

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

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

Quantity Value Units Method Reference Comment
Deltar270. ± 20.kJ/molICROperti, Tews, et al., 1988gas phase; switching reaction,Thermochemical ladder(Mg+)CH3OH; M

Nitric oxide anion + Propanal = (Nitric oxide anion bullet Propanal)

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

Quantity Value Units Method Reference Comment
Deltar159.kJ/molICRReents and Freiser, 1981gas phase; switching reaction,Thermochemical ladder(NO+)C2H5OH, Entropy change calculated or estimated; Farid and McMahon, 1978, ref. to PA(NH3)=872. kJ/mol; M

IR Spectrum

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

Data compiled by: Coblentz Society, Inc.

Gas Phase Spectrum

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IR spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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Owner COBLENTZ SOCIETY
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin DOW CHEMICAL COMPANY
Source reference COBLENTZ NO. 8785
Date 1964
Name(s) propionaldehyde
PROPIONALDEHYDE
State GAS (100 mmHg, N2 ADDED, TOTAL PRESSURE 600 mmHg)
Instrument DOW KBr FOREPRISM-GRATING
Instrument parameters GRATING CHANGED AT 5.0, 7.5, 15.0 MICRON
SPECTRAL CONTAMINATION DUE TO H2O IN THE 1600 CM-1 REGION.
ABSORPTION DUE TO CCl4 AT 797 AND 780 CM-1.
Path length 5 CM
Resolution 2
Sampling procedure TRANSMISSION
Data processing DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS)

This IR spectrum is from the Coblentz Society's evaluated infrared reference spectra collection.


Mass spectrum (electron ionization)

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

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

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

Spectrum

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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center, 1998.
NIST MS number 291282

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


Gas Chromatography

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

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

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

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryHP-1110.473.63Héberger, Görgényi, et al., 200250. m/0.32 mm/1.05 «mu»m
CapillaryHP-120.473.7Héberger, Görgényi, et al., 200250. m/0.32 mm/1.05 «mu»m
CapillaryHP-130.473.5Héberger, Görgényi, et al., 200250. m/0.32 mm/1.05 «mu»m
CapillaryHP-140.473.3Héberger, Görgényi, et al., 200250. m/0.32 mm/1.05 «mu»m
CapillaryHP-150.472.71Héberger, Görgényi, et al., 200250. m/0.32 mm/1.05 «mu»m
CapillaryHP-160.473.1Héberger, Görgényi, et al., 200250. m/0.32 mm/1.05 «mu»m
CapillaryHP-170.472.74Héberger, Görgényi, et al., 200250. m/0.32 mm/1.05 «mu»m
CapillaryHP-190.473.04Héberger, Görgényi, et al., 200250. m/0.32 mm/1.05 «mu»m
CapillaryHP-1110.474.Héberger and Görgényi, 199950. m/0.32 mm/1.05 «mu»m, N2
CapillaryHP-150.473.Héberger and Görgényi, 199950. m/0.32 mm/1.05 «mu»m, N2
CapillaryHP-170.473.Héberger and Görgényi, 199950. m/0.32 mm/1.05 «mu»m, N2
CapillaryHP-190.473.Héberger and Görgényi, 199950. m/0.32 mm/1.05 «mu»m, N2
PackedSE-30100.480.Winskowski, 1983Gaschrom Q; Column length: 2. m
PackedSqualane50.443.Becerra, Sánchez, et al., 1982N2, Chromosorb W-AM; Column length: 6. m
PackedSE-30150.479.Haken, Nguyen, et al., 1979Celatom AW silanized; Column length: 3.7 m
PackedApiezon L120.456.Bogoslovsky, Anvaer, et al., 1978Celite 545
PackedApiezon L160.460.Bogoslovsky, Anvaer, et al., 1978Celite 545
PackedApiezon L70.455.Bogoslovsky, Anvaer, et al., 1978 
PackedSqualane50.437.Mira and Sanchez, 1970Chromosorb G
PackedApiezon L100.461.Brown, Chapman, et al., 1968N2, DCMS-treated Chromosorb W; Column length: 2.3 m
PackedApiezon L150.470.Brown, Chapman, et al., 1968N2, DCMS-treated Chromosorb W; Column length: 2.3 m
PackedDC-200100.475.Rohrschneider, 1966Column length: 4. m
PackedSqualane100.437.Rohrschneider, 1966Column length: 5. m
PackedApiezon L100.460.Rohrschneider, 1966Column length: 5. m
PackedSE-3080.460.Viani, Müggler-Chavan, et al., 1965He, Chromosorb P; Column length: 6. m
PackedApiezon L130.451.von Kováts, 1958Celite (40:60 Gewichtsverhaltnis)
PackedApiezon L70.455.von Kováts, 1958Celite (40:60 Gewichtsverhaltnis)

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryHP-Innowax110.816.5Héberger and Görgényi, 199930. m/0.32 mm/0.5 «mu»m
CapillaryHP-Innowax50.808.8Héberger and Görgényi, 199930. m/0.32 mm/0.5 «mu»m
CapillaryHP-Innowax70.810.4Héberger and Görgényi, 199930. m/0.32 mm/0.5 «mu»m
CapillaryHP-Innowax90.812.9Héberger and Görgényi, 199930. m/0.32 mm/0.5 «mu»m
PackedCarbowax 20M100.748.Kevei and Kozma, 1976Chromosorb
PackedCarbowax 20M100.798.Rohrschneider, 1966Column length: 2. m

Kovats' RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-Wax784.Umano and Shibamoto, 1987He, 40. C @ 10. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C
PackedPEG-20M784.Galt and MacLeod, 1984N2, Celite, 70. C @ 9. min, 10. K/min; Column length: 5.5 m; Tend: 175. C

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

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Column type Active phase I Reference Comment
CapillaryDB-1472.Bartelt, 199730. m/0.32 mm/5. «mu»m, He, 35. C @ 1. min, 10. K/min; Tend: 270. 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-5506.Engel, Baty, et al., 200230. m/0.25 mm/0.25 «mu»m, He; Program: 5C(5min) => 3C/min => 20C => 5C/min => 100C 15C/min => 150C (5min)
PackedSE-30468.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-Wax762.Nielsen, Larsen, et al., 200430. m/0.25 mm/0.25 «mu»m, He, 45. C @ 10. min, 6. K/min, 240. C @ 30. min
CapillaryDB-Wax762.Nielsen, Larsen, et al., 2004, 230. m/0.25 mm/0.25 «mu»m, He, 45. C @ 10. min, 6. K/min, 240. C @ 30. min
CapillaryDB-Wax762.Nielsen, Larsen, et al., 2004, 330. m/0.25 mm/0.25 «mu»m, He, 45. C @ 10. min, 6. K/min, 240. C @ 30. min
CapillaryDB-Wax807.Peng, 200015. m/0.53 mm/1. «mu»m, He, 40. C @ 3. min, 5. K/min, 220. C @ 30. min
CapillaryHP-Wax801.Peng, 200015. m/0.53 mm/1. «mu»m, He, 40. C @ 3. min, 5. K/min, 220. C @ 30. min
CapillaryFFAP800.Ott, Fay, et al., 199730. m/0.25 mm/0.25 «mu»m, He, 20. C @ 1. min, 4. K/min, 200. C @ 1. min
CapillaryDB-Wax784.Shimoda, Peralta, et al., 199660. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 50. C; Tend: 230. C

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

View large format table.

Column type Active phase I Reference Comment
CapillarySupelcowax-10801.Bianchi, Cantoni, et al., 200730. m/0.25 mm/0.25 «mu»m; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 220C(1min)
CapillarySupelcowax-10801.Bianchi, Careri, et al., 200730. m/0.25 mm/0.25 «mu»m, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)
CapillarySupelcowax-10801.Bianchi, Careri, et al., 200730. m/0.25 mm/0.25 «mu»m, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)
CapillarySupelcowax-10800.Bianchi, Careri, et al., 200730. m/0.25 mm/0.25 «mu»m, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)
CapillaryFFAP784.Yasuhara, 198750. m/0.25 mm/0.25 «mu»m, He; Program: 20C (5min) => 2C/min => 70C => 4C/min => 210C

Normal alkane RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-160.473.Amboni, Junkes, et al., 2002 
PackedSqualane125.452.Cremer and Nonn, 1964H2, Chromosorb W (80-100 mesh); Column length: 3. m

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-1480.Buttery, Ling, et al., 199730. C @ 25. min, 4. K/min, 200. C @ 20. min; Column length: 60. m; Column diameter: 0.25 mm
CapillaryRTX-5450.Milo and Grosch, 199530. m/0.52 mm/1.5 «mu»m, He, 6. K/min; Tstart: 5. C; Tend: 230. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5511.Miyazaki, Plotto, et al., 201160. m/0.25 mm/1.00 «mu»m, Helium; Program: 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min)
CapillaryVB-5498.Karlshøj, Nielsen, et al., 200760. m/0.25 mm/1. «mu»m, He; Program: 35C(1min) => 4C/min => 175C => 10C/min => 260C
CapillaryHP-1473.Junkes, Amboni, et al., 2004Program: not specified
CapillarySPB-1464.Flanagan, Streete, et al., 199760. m/0.53 mm/5. «mu»m, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
CapillaryPolydimethyl siloxanes479.Zenkevich and Chupalov, 1996Program: not specified
CapillarySPB-1464.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 «mu»m, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C
CapillaryCP Sil 8 CB500.Weller and Wolf, 198940. m/0.25 mm/0.25 «mu»m, He; Program: 30 0C (1 min) 15 0C/min -> 45 0C 3 0C/min -> 120 0C
CapillaryOV-101461.Shibamoto, 1987Program: not specified
CapillarySF96+Igepal500.Flath, Altieri, et al., 1984Column length: 152. m; Column diameter: 0.76 mm; Program: 25C(1min) => 5C/min => 50C (4min) => 1.25C/min => 180C
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.480.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-Innowax823.Feng, Zhuang, et al., 201160. m/0.25 mm/0.25 «mu»m, Helium, 60. C @ 1. min, 3. K/min, 220. C @ 5. min
CapillaryDB-Wax783.Ganeko, Shoda, et al., 20084. K/min; Column length: 60. m; Column diameter: 0.35 mm; Tstart: 40. C; Tend: 200. C
CapillaryZB-Wax808.Marin, Pozrl, et al., 200860. m/0.32 mm/0.50 «mu»m, Helium, 40. C @ 5. min, 4. K/min, 220. C @ 5. min
CapillaryDB-Wax784.Rizzolo, Cambiaghi, et al., 200560. m/0.53 mm/1. «mu»m, 50. C @ 10. min, 3. K/min; Tend: 180. C
CapillarySupelcowax-10826.Rochat and Chaintreau, 200560. m/0.53 mm/1. «mu»m, He, 40. C @ 2. min, 4. K/min, 240. C @ 20. min
CapillarySupelcowax-10827.Rochat and Chaintreau, 200560. m/0.53 mm/1. «mu»m, He, 40. C @ 2. min, 4. K/min, 240. C @ 20. min
CapillarySupelcowax-10828.Rochat and Chaintreau, 200560. m/0.53 mm/1. «mu»m, He, 40. C @ 2. min, 4. K/min, 240. C @ 20. min
CapillaryDB-Wax798.Chida, Sone, et al., 200460. m/0.25 mm/0.5 «mu»m, 35. C @ 5. min, 4. K/min, 240. C @ 10. min
CapillaryTC-Wax797.Ishikawa, Ito, et al., 200460. m/0.25 mm/0.5 «mu»m, He, 40. C @ 8. min, 3. K/min; Tend: 230. C
CapillarySupelcowax-10800.Girard and Durance, 200060. m/0.25 mm/0.25 «mu»m, He, 35. C @ 10. min, 4. K/min; Tend: 200. C
CapillaryDB-Wax790.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-Wax799.Schlüter, Steinhart, et al., 199960. m/0.32 mm/0.25 «mu»m, He, 34. C @ 3. min, 5. K/min, 200. C @ 10. min
CapillaryDB-Wax790.Horiuchi, Umano, et al., 199860. m/0.25 mm/1. «mu»m, He, 3. K/min, 200. C @ 40. min; Tstart: 50. C
CapillaryCarbowax 20M788.Kawakami and Kobayashi, 1991He, 60. C @ 4. min, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tend: 180. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-Innowax816.Feng, Zhuang, et al., 201160. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryDB-Wax747.Miyazaki, Plotto, et al., 201160. m/0.25 mm/0.50 «mu»m, Helium; Program: 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min)
CapillaryHP-Innowax804.Cajka, Riddellova, et al., 201030. m/0.25 mm/0.25 «mu»m, Helium; Program: 45 0C (1 min) 5 oC/min -> 170 0C 10 0C/min -> 260 0C (1 min)
CapillaryHP-Innowax780.Narain, Galvao, et al., 200730. m/0.25 mm/0.25 «mu»m, Helium; Program: 30 0C (5 min) 5 0C/min -> 100 0C (5 min) 1 0C/min -> 130 0C 10 0C/min -> 195 0C (45 min)
CapillaryHP-Innowax763.Viegas and Bassoli, 200760. m/0.32 mm/0.25 «mu»m, Helium; Program: 40 0C (5 min) 4 0C/min -> 60 0C (5 min) 8 0C/min -> 250 0C (3 min)
CapillaryDB-Wax769.Gyawalia, Seo, et al., 200660. m/0.2 mm/0.25 «mu»m, He; Program: 40C(3min) => 2C/min => 150C => 4C/min => 220C(20min) => 5C/min => 230C
CapillaryInnowax809.Junkes, Amboni, et al., 2004Program: not specified
CapillaryDB-Wax816.Kim. J.H., Ahn, et al., 200460. m/0.25 mm/0.25 «mu»m, Helium; Program: 60 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 200 0C
CapillaryDB-Wax790.Mattheis, Buchanan, et al., 199260. m/0.25 mm/0.25 «mu»m, He; Program: 35C (5min) => 2C/min => 50C => 5C/min => 200C(5min)
CapillaryDB-Wax782.Peng, Yang, et al., 1991Program: not specified
CapillaryCarbowax 20M784.Shibamoto, 1987Program: not specified
CapillaryCarbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.795.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

References

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

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

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Connett, 1972
Connett, J.E., Chemical equilibria. 5. Measurement of equilibrium constants for the dehydrogenation of propanol by a vapour flow technique, J. Chem. Thermodyn., 1972, 4, 233-237. [all data]

Buckley and Cox, 1967
Buckley, E.; Cox, J.D., Chemical equilibria. Part 2.-Dehydrogenation of propanol and butanol, Trans. Faraday Soc., 1967, 63, 895-901. [all data]

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Buckley E., 1967
Buckley E., Chemical equilibria. Part 2. Dehydrogenation of propanol and butanol, Trans. Faraday Soc., 1967, 63, 895-901. [all data]

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

Frankiss S.G., 1974
Frankiss S.G., Thermodynamic properties of organic oxygen compounds. Part 36. Chemical thermodynamic properties of propanal, J. Chem. Soc. Faraday Trans. 2, 1974, 70, 1516-1521. [all data]

Chermin, 1961
Chermin, H.A.G., Thermo data for petrochemicals. Part 27: Gaseous normal aldehydes. The important thermo properties are presented for all the gaseous normal aldehydes from formaldehyde through decaldehyde, Pet. Refin., 1961, 40, 181-184. [all data]

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Counsell J.F., Thermodynamic properties of organic oxygen compounds. 30. Vapor heat capacity and enthalpy of vaporization of propanal, J. Chem. Thermodyn., 1972, 4, 915-917. [all data]

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Ambrose and Sprake, 1974
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Counsell and Lee, 1972
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von Kováts, E., 206. Gas-chromatographische Charakterisierung organischer Verbindungen. Teil 1: Retentionsindices aliphatischer Halogenide, Alkohole, Aldehyde und Ketone, Helv. Chim. Acta, 1958, 41, 7, 1915-1932, https://doi.org/10.1002/hlca.19580410703 . [all data]

Kevei and Kozma, 1976
Kevei, E.; Kozma, E., Gaschromatographische Untersuchungsmethoden zur Aromaprüfung in gekochtem Schweinefleisch (M. semimembranosus), Nahrung, 1976, 20, 3, 243-252, https://doi.org/10.1002/food.19760200303 . [all data]

Umano and Shibamoto, 1987
Umano, K.; Shibamoto, T., Analysis of headspace volatiles from overheated beef fat, J. Agric. Food Chem., 1987, 35, 1, 14-18, https://doi.org/10.1021/jf00073a004 . [all data]

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

Bartelt, 1997
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Notes

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