Propene

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering 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 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°gas4.879kcal/molEqkFuruyama, Golden, et al., 1969ALS
ΔfH°gas4.879kcal/molCmLacher, Walden, et al., 1950Heat of hydrobromination; ALS
Quantity Value Units Method Reference Comment
ΔcH°gas-491.83 ± 0.27kcal/molCmWiberg and Fenoglio, 1968Corresponding ΔfHºgas = 4.73 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
ΔcH°gas-491.8 ± 0.1kcal/molCmRossini and Knowlton, 1937Reanalyzed by Cox and Pilcher, 1970, Original value = -491.74 ± 0.15 kcal/mol; Corresponding ΔfHºgas = 4.71 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
8.21050.Thermodynamics Research Center, 1997p=1 bar. Recommended entropies and heat capacities are in good agreement with other statistically calculated values [ Crawford B.L., 1939, Kilpatrick J.E., 1946, Kilpatrick J.E., 1947, Chao J., 1975] as well as with ab initio value of S(298.15 K)=266.82 J/mol*K [ East A.L.L., 1997].; GT
9.338100.
10.60150.
12.01200.
14.45273.15
15.37298.15
15.44300.
19.23400.
22.75500.
25.813600.
28.463700.
30.765800.
32.772900.
34.5221000.
36.0491100.
37.3801200.
38.5401300.
39.5511400.
40.4351500.
42.1941750.
43.4752000.
44.4292250.
45.1512500.
45.7072750.
46.1473000.

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
10.64148.2Bier K., 1974Please also see Kistiakowsky G.B., 1940, Kistiakowsky G.B., 1940, 2, Telfair D., 1942.; GT
10.86157.6
12.48213.1
12.69220.1
12.83223.7
13.97258.0
14.29270.
14.36 ± 0.031272.29
14.69280.
15.16291.1
15.25 ± 0.031298.15
15.47 ± 0.031299.33
15.47300.
16.23320.
16.22 ± 0.033323.15
16.74 ± 0.041333.86
16.98340.
17.16 ± 0.033348.15
17.72360.
17.80 ± 0.036365.15
17.93 ± 0.02367.11
18.11 ± 0.036373.15
19.08 ± 0.038378.15
18.44380.
19.16400.
19.88420.
19.98 ± 0.041423.15
20.58440.
20.90 ± 0.041448.15
21.28460.
21.79 ± 0.043473.15
21.97480.
22.65500.
22.99510.

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering 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: Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
S°liquid46.77cal/mol*KN/AChao, Hall, et al., 1983 

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
24.4298.15Chao, Hall, et al., 1983T = 14 to 340 K.
23.6300.Auerbach, Sage, et al., 1950T = 300 to 344 K. Datum at 80°C is Cp at the bubble point, 0.5615 Btu/lb*R.
22.01230.Powell and Giauque, 1939T = 14 to 225 K.
21.5210.3Huffman, Parks, et al., 1931T = 69 to 210 K. Value is unsmoothed experimental datum.

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Ion clustering 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil225.6 ± 0.6KAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus88.0KN/AStreng, 1971Uncertainty assigned by TRC = 0.3 K; TRC
Tfus87.9KN/AHaselden and Snowden, 1962Uncertainty assigned by TRC = 0.4 K; TRC
Tfus88.25KN/AParks and Huffman, 1931Uncertainty assigned by TRC = 1. K; TRC
Tfus87.95KN/ACoffin and Maass, 1927Uncertainty assigned by TRC = 0.6 K; TRC
Quantity Value Units Method Reference Comment
Ttriple87.8 ± 0.8KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Ptriple9.38atmN/AAngus, Armstrong, et al., 1980Uncertainty assigned by TRC = 0.15 atm; TRC
Quantity Value Units Method Reference Comment
Tc365.2 ± 0.8KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Pc45.4 ± 0.3atmN/ATsonopoulos and Ambrose, 1996 
Pc45.19atmN/AOhgaki, Umezono, et al., 1990Uncertainty assigned by TRC = 0.15 atm; TRC
Pc46.036atmN/AAngus, Armstrong, et al., 1980Uncertainty assigned by TRC = 1.97 atm; TRC
Pc45.61atmN/AMarchman, Prengle, et al., 1949Uncertainty assigned by TRC = 0.1499 atm; TRC
Pc45.3460atmN/ASeibert and Burrell, 1915Uncertainty assigned by TRC = 0.3289 atm; TRC
Quantity Value Units Method Reference Comment
Vc0.1846l/molN/ATsonopoulos and Ambrose, 1996 
Vc0.192l/molN/AMarchman, Prengle, et al., 1949Uncertainty assigned by TRC = 0.005 l/mol; TRC
Quantity Value Units Method Reference Comment
ρc5.42 ± 0.03mol/lN/ATsonopoulos and Ambrose, 1996 
ρc5.549mol/lN/AOhgaki, Umezono, et al., 1990Uncertainty assigned by TRC = 0.07 mol/l; TRC
ρc5.309mol/lN/AAngus, Armstrong, et al., 1980Uncertainty assigned by TRC = 0.36 mol/l; TRC
Quantity Value Units Method Reference Comment
ΔvapH°3.834kcal/molN/AMajer and Svoboda, 1985 

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
4.402225.5N/AMajer and Svoboda, 1985 
4.4020225.35N/APowell and Giauque, 1939DH
4.47312.AStephenson and Malanowski, 1987Based on data from 297. to 363. K.; AC
5.31146.AStephenson and Malanowski, 1987Based on data from 104. to 161. K.; AC
4.47256.AStephenson and Malanowski, 1987Based on data from 228. to 271. K.; AC
4.42285.AStephenson and Malanowski, 1987Based on data from 270. to 327. K.; AC
4.49340.AStephenson and Malanowski, 1987Based on data from 325. to 363. K.; AC
4.59227.AStephenson and Malanowski, 1987Based on data from 161. to 242. K. See also Dykyj, 1970.; AC
4.47360.N/AMichels, Wassenaar, et al., 1953Based on data from 298. to 423. K.; AC
4.68211.N/APowell and Giauque, 1939Based on data from 166. to 226. K.; AC
4.61268.N/AMaass and Wright, 1921Based on data from 236. to 283. K. See also Boublik, Fried, et al., 1984.; AC

Entropy of vaporization

ΔvapS (cal/mol*K) Temperature (K) Reference Comment
19.53225.35Powell and Giauque, 1939DH

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
165.81 to 225.983.96917795.819-24.884Powell and Giauque, 1939Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
0.717787.85Chao, Hall, et al., 1983DH
0.717587.85Powell and Giauque, 1939DH
0.701088.2Huffman, Parks, et al., 1931DH
0.70088.2Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
8.16987.85Chao, Hall, et al., 1983DH
8.16987.85Powell and Giauque, 1939DH
7.9688.2Huffman, Parks, et al., 1931DH

Temperature of phase transition

Ttrs (K) Initial Phase Final Phase Reference Comment
56.0crystalineglassTakeda, Oguni, et al., 1990DH

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

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Ion clustering 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 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
RCD - Robert C. Dunbar

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

Individual Reactions

C3H5- + Hydrogen cation = Propene

By formula: C3H5- + H+ = C3H6

Quantity Value Units Method Reference Comment
ΔrH°391.10 ± 0.30kcal/molG+TSEllison, Davico, et al., 1996gas phase; calculated dSacid=24.2±1.0 eu; B
ΔrH°390.5 ± 1.0kcal/molD-EAWenthold, Polak, et al., 1996gas phase; B
ΔrH°390.7 ± 2.1kcal/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
ΔrH°390.25 ± 0.65kcal/molG+TSMackay, Lien, et al., 1978gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°383.80 ± 0.10kcal/molIMREEllison, Davico, et al., 1996gas phase; calculated dSacid=24.2±1.0 eu; B
ΔrG°383.9 ± 1.1kcal/molH-TSWenthold, Polak, et al., 1996gas phase; B
ΔrG°384.1 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
ΔrG°383.60 ± 0.50kcal/molIMREMackay, Lien, et al., 1978gas phase; B

Hydrogen bromide + Propene = Propane, 2-bromo-

By formula: HBr + C3H6 = C3H7Br

Quantity Value Units Method Reference Comment
ΔrH°-20.43kcal/molCmLacher, Kianpour, et al., 1957gas phase; ALS
ΔrH°-20.050kcal/molCmLacher, Lea, et al., 1950gas phase; Heat of hydrobromination at 367°K; ALS
ΔrH°-20.10 ± 0.14kcal/molCmLacher, Walden, et al., 1950gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -20.17 ± 0.24 kcal/mol; Heat of hydrobromination; ALS

Propene + Hydrogen = Propane

By formula: C3H6 + H2 = C3H8

Quantity Value Units Method Reference Comment
ΔrH°-29.5 ± 1.2kcal/molChydKistiakowsky and Nickle, 1951gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -29.85 ± 0.50 kcal/mol; ALS
ΔrH°-29.87 ± 0.10kcal/molChydKistiakowsky, Ruhoff, et al., 1935gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -30.115 ± 0.013 kcal/mol; At 355 °K; ALS

C3H5- + Hydrogen cation = Propene

By formula: C3H5- + H+ = C3H6

Quantity Value Units Method Reference Comment
ΔrH°405.8 ± 2.0kcal/molBranDePuy, Gronert, et al., 1989gas phase; B
ΔrH°>404.75 ± 0.60kcal/molG+TSFroelicher, Freiser, et al., 1986gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°398.0 ± 2.1kcal/molH-TSDePuy, Gronert, et al., 1989gas phase; B
ΔrG°>397.00kcal/molIMRBFroelicher, Freiser, et al., 1986gas phase; B

Hydrogen iodide + 1-Propene, 3-iodo- = Propene + Iodine

By formula: HI + C3H5I = C3H6 + I2

Quantity Value Units Method Reference Comment
ΔrH°-7.96 ± 0.33kcal/molEqkRodgers, Golden, et al., 1966gas phase; ALS
ΔrH°-9.5 ± 1.0kcal/molEqkRodgers, Golden, et al., 1966gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -8.33 ± 0.23 kcal/mol; At 527 K; ALS

Propane, 2-chloro- = Propene + Hydrogen chloride

By formula: C3H7Cl = C3H6 + HCl

Quantity Value Units Method Reference Comment
ΔrH°17.3 ± 0.2kcal/molEqkNoren and Sunner, 1970gas phase; ALS
ΔrH°17.62 ± 0.15kcal/molEqkKabo and Andreevskii, 1963gas phase; At 415.5 K; ALS
ΔrH°17.45 ± 0.50kcal/molEqkHowlett, 1955gas phase; ALS

Cobalt ion (1+) + Propene = (Cobalt ion (1+) • Propene)

By formula: Co+ + C3H6 = (Co+ • C3H6)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
43.0 (+1.7,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M
43.1 (+1.6,-0.) CIDHaynes and Armentrout, 1994gas phase; guided ion beam CID; M

C3H9Si+ + Propene = (C3H9Si+ • Propene)

By formula: C3H9Si+ + C3H6 = (C3H9Si+ • C3H6)

Quantity Value Units Method Reference Comment
ΔrH°30.6kcal/molPHPMSLi and Stone, 1989gas phase; condensation; M
Quantity Value Units Method Reference Comment
ΔrS°42.5cal/mol*KPHPMSLi and Stone, 1989gas phase; condensation; M

Propene + Bromine = Propane, 1,2-dibromo-

By formula: C3H6 + Br2 = C3H6Br2

Quantity Value Units Method Reference Comment
ΔrH°-29.27 ± 0.20kcal/molCmConn, Kistiakowsky, et al., 1938gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -29.41 ± 0.20 kcal/mol; At 355 °K; ALS

C3H5- + Hydrogen cation = Propene

By formula: C3H5- + H+ = C3H6

Quantity Value Units Method Reference Comment
ΔrH°>404.75 ± 0.90kcal/molG+TSFroelicher, Freiser, et al., 1986gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°>397.00kcal/molIMRBFroelicher, Freiser, et al., 1986gas phase; B

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

By formula: Li+ + C3H6 = (Li+ • C3H6)

Quantity Value Units Method Reference Comment
ΔrH°23.kcal/molICRStaley and Beauchamp, 1975gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M

Rh+ + Propene = (Rh+ • Propene)

By formula: Rh+ + C3H6 = (Rh+ • C3H6)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
28.1 CIDChen and Armetrout, 1995gas phase; ΔrH>=, guided ion beam CID; M

Iron ion (1+) + Propene = (Iron ion (1+) • Propene)

By formula: Fe+ + C3H6 = (Fe+ • C3H6)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
34.7 (+1.7,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(CAS Reg. No. 25012-80-0 • 4294967295Propene) + Propene = CAS Reg. No. 25012-80-0

By formula: (CAS Reg. No. 25012-80-0 • 4294967295C3H6) + C3H6 = CAS Reg. No. 25012-80-0

Quantity Value Units Method Reference Comment
ΔrH°10.8 ± 2.1kcal/molN/ADePuy, Gronert, et al., 1989gas phase; B

(CAS Reg. No. 59513-13-2 • 4294967295Propene) + Propene = CAS Reg. No. 59513-13-2

By formula: (CAS Reg. No. 59513-13-2 • 4294967295C3H6) + C3H6 = CAS Reg. No. 59513-13-2

Quantity Value Units Method Reference Comment
ΔrH°14.6 ± 2.1kcal/molN/ADePuy, Gronert, et al., 1989gas phase; B

Propene + Hydrogen chloride = Propane, 2-chloro-

By formula: C3H6 + HCl = C3H7Cl

Quantity Value Units Method Reference Comment
ΔrH°-17.54kcal/molEqkKabo and Andreevskii, 1963gas phase; At 385°K; ALS

Hydrogen iodide + Propene = Propane, 2-iodo-

By formula: HI + C3H6 = C3H7I

Quantity Value Units Method Reference Comment
ΔrH°-20.62kcal/molEqkFuruyama, Golden, et al., 1969gas phase; ALS

Propene + Sulfuric Acid = isopropyl hydrogen sulphate

By formula: C3H6 + H2O4S = isopropyl hydrogen sulphate

Quantity Value Units Method Reference Comment
ΔrH°-9.2 ± 0.2kcal/molEqkEntelis, Korovina, et al., 1960liquid phase; ALS

1,2-Diiodopropane = Propene + Iodine

By formula: C3H6I2 = C3H6 + I2

Quantity Value Units Method Reference Comment
ΔrH°11.2 ± 0.4kcal/molEqkBenson and Amano, 1962gas phase; ALS

Propane, 2-bromo- = Hydrogen bromide + Propene

By formula: C3H7Br = HBr + C3H6

Quantity Value Units Method Reference Comment
ΔrH°19.3 ± 0.5kcal/molEqkRozhnov and Andreevskii, 1962gas phase; ALS

Propene + 2-Propanone, 1,1,1,3,3,3-hexafluoro- = 4-Penten-2-ol, 1,1,1-trifluoro-2-(trifluoromethyl)-

By formula: C3H6 + C3F6O = C6H6F6O

Quantity Value Units Method Reference Comment
ΔrH°-18.7 ± 1.0kcal/molEqkMoore, 1971gas phase; ALS

Gold ion (1+) + Propene = (Gold ion (1+) • Propene)

By formula: Au+ + C3H6 = (Au+ • C3H6)

Quantity Value Units Method Reference Comment
ΔrH°>75.kcal/molIMRBSchroeder, Hrusak, et al., 1995RCD

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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 as indicated in comments:
RCD - Robert C. Dunbar
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

Gold ion (1+) + Propene = (Gold ion (1+) • Propene)

By formula: Au+ + C3H6 = (Au+ • C3H6)

Quantity Value Units Method Reference Comment
ΔrH°>75.kcal/molIMRBSchroeder, Hrusak, et al., 1995RCD

C3H9Si+ + Propene = (C3H9Si+ • Propene)

By formula: C3H9Si+ + C3H6 = (C3H9Si+ • C3H6)

Quantity Value Units Method Reference Comment
ΔrH°30.6kcal/molPHPMSLi and Stone, 1989gas phase; condensation; M
Quantity Value Units Method Reference Comment
ΔrS°42.5cal/mol*KPHPMSLi and Stone, 1989gas phase; condensation; M

Cobalt ion (1+) + Propene = (Cobalt ion (1+) • Propene)

By formula: Co+ + C3H6 = (Co+ • C3H6)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
43.0 (+1.7,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M
43.1 (+1.6,-0.) CIDHaynes and Armentrout, 1994gas phase; guided ion beam CID; M

Iron ion (1+) + Propene = (Iron ion (1+) • Propene)

By formula: Fe+ + C3H6 = (Fe+ • C3H6)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
34.7 (+1.7,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

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

By formula: Li+ + C3H6 = (Li+ • C3H6)

Quantity Value Units Method Reference Comment
ΔrH°23.kcal/molICRStaley and Beauchamp, 1975gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M

Rh+ + Propene = (Rh+ • Propene)

By formula: Rh+ + C3H6 = (Rh+ • C3H6)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
28.1 CIDChen and Armetrout, 1995gas phase; ΔrH>=, guided ion beam CID; M

Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, 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
PackedPorapack Q100.292.Ji, Majors, et al., 1999 
CapillaryCP Sil 5 CB20.294.Do and Raulin, 199225. m/0.15 mm/2. μm, H2
CapillaryPoraPLOT Q160.300.Do and Raulin, 198910. m/0.32 mm/10. μm, H2
CapillaryOV-120.289.Nijs and Jacobs, 1981He; Column length: 150. m; Column diameter: 0.50 mm
CapillarySqualane50.283.3Schröder, 1980 
PackedSqualane80.287.Chrétien and Dubois, 1977 
CapillarySqualane40.289.Matukuma, 1969N2; Column length: 91.4 m; Column diameter: 0.25 mm
PackedSqualane27.287.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane49.287.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane67.288.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane86.288.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane26.289.Zulaïca and Guiochon, 1966Column length: 10. m

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

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Column type Active phase I Reference Comment
CapillaryPetrocol DH-100283.Haagen-Smit Laboratory, 1997He; Column length: 100. m; Column diameter: 0.2 mm; Program: 5C(10min) => 5C/min => 50C(48min) => 1.5C/min => 195C(91min)
CapillaryDB-1290.Hoekman, 199360. m/0.32 mm/1.0 μm, He; Program: -40 C for 12 min; -40 - 125 C at 3 deg.min; 125-185 C at 6 deg/min; 185 - 220 C at 20 deg/min; hold 220 C for 2 min

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

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Column type Active phase I Reference Comment
CapillaryChromosorb 101295.Voorhees, Hileman, et al., 197510. K/min; Tstart: 0. C; Tend: 220. C

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

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Column type Active phase I Reference Comment
PackedSE-30294.Peng, Ding, et al., 1988Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min)

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxane: CP-Sil 5 CB286.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
CapillaryPetrocol DH294.Supelco, 2012100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min
CapillaryUltra-ALLOY-5295.Tsuge, Ohtan, et al., 201130. m/0.25 mm/0.25 μm, 40. C @ 2. min, 20. K/min, 320. C @ 13. min
CapillaryUltra-ALLOY-5295.Tsuge, Ohtan, et al., 201130. m/0.25 mm/0.25 μm, 40. C @ 2. min, 20. K/min, 320. C @ 13. min
CapillaryUltra-ALLOY-5295.Tsuge, Ohtan, et al., 201130. m/0.25 mm/0.25 μm, 40. C @ 2. min, 20. K/min, 320. C @ 13. min
CapillaryUltra-ALLOY-5295.Tsuge, Ohtan, et al., 201130. m/0.25 mm/0.25 μm, 40. C @ 2. min, 20. K/min, 320. C @ 13. min
CapillaryUltra-ALLOY-5298.Tsuge, Ohtan, et al., 201130. m/0.25 mm/0.25 μm, 40. C @ 2. min, 20. K/min, 320. C @ 13. min
CapillaryOV-101290.Chupalov and Zenkevich, 1996N2, 3. K/min; Column length: 52. m; Column diameter: 0.26 mm; Tstart: 50. C; Tend: 220. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryMethyl Silicone288.Chen and Feng, 2007Program: not specified
CapillaryMethyl Silicone290.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)
CapillaryMethyl Silicone290.Zenkevich, 2000Program: not specified
CapillarySPB-1283.Flanagan, Streete, et al., 199760. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
CapillaryPolydimethyl siloxanes290.Zenkevich, Chupalov, et al., 1996Program: not specified
CapillaryPolydimethyl siloxanes290.Zenkevich and Chupalov, 1996Program: not specified
CapillarySPB-1283.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-1310.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 μm, Helium; Program: not specified
PackedApieson L280.Kojima, Fujii, et al., 1980Chromosorb W; Column length: 20. m; Program: not specified
PackedSE-30290.Robinson and Odell, 1971N2, Chromosorb W; Column length: 6.1 m; Program: 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold)

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, Gas Chromatography, 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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Lacher, Walden, et al., 1950
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Do, L.; Raulin, F., Gas chromatography of Titan's atmosphere. III. Analysis of low-molecular-weight hydrocarbons and nitriles with a CP-Sil-5 CB WCOT capillary column, J. Chromatogr., 1992, 591, 1-2, 297-301, https://doi.org/10.1016/0021-9673(92)80247-R . [all data]

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Schröder, I.H., Retention Indices of Hydrocarbons up to C14 for the Stationary Phase Squalane, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1980, 3, 1, 38-44, https://doi.org/10.1002/jhrc.1240030115 . [all data]

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Chrétien, J.R.; Dubois, J.E., Topological analysis of gas-liquid chromatographic behavior of alkenes, Anal. Chem., 1977, 49, 6, 747-756, https://doi.org/10.1021/ac50014a021 . [all data]

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Matukuma, A., Retention indices of alkanes through C10 and alkenes through C8 and relation between boiling points and retention data, Gas Chromatogr., Int. Symp. Anal. Instrum. Div Instrum Soc. Amer., 1969, 7, 55-75. [all data]

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Hively, R.A.; Hinton, R.E., Variation of the retention index with temperature on squalane substrates, J. Gas Chromatogr., 1968, 6, 4, 203-217, https://doi.org/10.1093/chromsci/6.4.203 . [all data]

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Zulaïca, J.; Guiochon, G., Analyse des hauts polymères par chromatographie en phase gazeuse de leurs produits de pyrolyse. II. Application à quelques hydrocarbures macromoléculaires purs, Bull. Soc. Chim. Fr., 1966, 4, 1351-1363. [all data]

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Zenkevich, I.G., Mutual Correlation between Gas Chromatographic Retention Indices of Unsaturated and Saturated Hydrocarbons found by Molecular Dynamics, Z. Anal. Chem., 2000, 55, 10, 1091-1097. [all data]

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Flanagan, R.J.; Streete, P.J.; Ramsey, J.D., Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56, retrieved from http://www.odccp.org/pdf/technicalseries1997-01-011.pdf. [all data]

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Zenkevich, I.G.; Chupalov, A.A.; Herzschuh, R., Correlation of the Increments of Gas Chromatographic Retention Indices with the Differences of Innermolecular Energies of Reagents and Products of Chemical Reactions, Zh. Org. Khim. (Rus.), 1996, 32, 11, 1685-1691. [all data]

Zenkevich and Chupalov, 1996
Zenkevich, I.G.; Chupalov, A.A., New Possibilities of Chromato Mass Pectrometric Identification of Organic Compounds Using Increments of Gas Chromatographic Retention Indices of Molecular Structural Fragments, Zh. Org. Khim. (Rus.), 1996, 32, 5, 656-666. [all data]

Strete, Ruprah, et al., 1992
Strete, P.J.; Ruprah, M.; Ramsey, J.D.; Flanagan, R.J., Detection and identification of volatile substances by headspace capillary gas chromatography to aid the diagnosis of acute poisoning, Analyst, 1992, 117, 7, 1111-1127, https://doi.org/10.1039/an9921701111 . [all data]

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Kojima, T.; Fujii, T.; Hosaka, Y., Thermal decomposition products of sterepisomeric polypropylenes, Mass Spectrometry, 1980, 28, 4, 335-341. [all data]

Robinson and Odell, 1971
Robinson, P.G.; Odell, A.L., A system of standard retention indices and its uses. The characterisation of stationary phases and the prediction of retention indices, J. Chromatogr., 1971, 57, 1-10, https://doi.org/10.1016/0021-9673(71)80001-8 . [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, Gas Chromatography, References