1-Hexadecanol

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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:
DRB - Donald R. Burgess, Jr.
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
Δfgas-123.5kcal/molN/AMosselman and Dekker, 1975Value computed using ΔfHsolid° value of -686.4±0.4 kj/mol from Mosselman and Dekker, 1975 and ΔsubH° value of 169.6 kj/mol from Gundry, Harrop, et al., 1969.; DRB
Δfgas-123.7 ± 0.76kcal/molCcbGundry, Harrop, et al., 1969ALS
Δfgas-122.8kcal/molN/AParks, Mosley, et al., 1950Value computed using ΔfHsolid° value of -683.3±3.8 kj/mol from Parks, Mosley, et al., 1950 and ΔsubH° value of 169.6 kj/mol from Gundry, Harrop, et al., 1969.; DRB
Quantity Value Units Method Reference Comment
gas204. ± 4.1cal/mol*KN/AWilhoit R.C., 1973Other third-law entropy value at 298.15 K is 803(11) J/mol*K [ Green J.H.S., 1961]. Values calculated by a method of increments [ Green J.H.S., 1961, Thermodynamics Research Center, 1997] are equal to 831 and 832.5 J/mol*K, respectively.; GT

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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:
DH - Eugene S. Domalski and Elizabeth D. Hearing
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfsolid-164.1 ± 0.1kcal/molCcbMosselman and Dekker, 1975ALS
Δfsolid-164.21 ± 0.48kcal/molCcbGundry, Harrop, et al., 1969ALS
Δfsolid-163.32 ± 0.91kcal/molCcbParks, Mosley, et al., 1950Reanalyzed by Cox and Pilcher, 1970, Original value = -163.55 kcal/mol; see Richardson and Parks, 1939; ALS
Quantity Value Units Method Reference Comment
Δcsolid-2512. ± 2.kcal/molCcbFreeman and Bagby, 1989Corresponding Δfsolid = -154. kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcsolid-2502.1 ± 0.2kcal/molCcbMosselman and Dekker, 1975Corresponding Δfsolid = -164.1 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcsolid-2506.28 ± 0.41kcal/molCcbGundry, Harrop, et al., 1969Corresponding Δfsolid = -159.90 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcsolid-2502.85 ± 0.90kcal/molCcbParks, Mosley, et al., 1950Reanalyzed by Cox and Pilcher, 1970, Original value = -2502.67 kcal/mol; see Richardson and Parks, 1939; Corresponding Δfsolid = -163.32 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
solid,1 bar108.0cal/mol*KN/AParks, Kennedy, et al., 1956Extrapolation below 80 K, 115.3 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
147.8333.15Khasanshin and Zykova, 1989T = 333 to 583 K.; DH
125.323.Mosselman, Mourik, et al., 1974T = 323 to 346 K.; DH

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
101.298.15Mosselman, Mourik, et al., 1974T = 293 to 311 K.; DH
105.46290.Parks, Kennedy, et al., 1956T = 80 to 290 K.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, IR Spectrum, 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil613.15KN/ASenderens, 1925Uncertainty assigned by TRC = 5. K; TRC
Quantity Value Units Method Reference Comment
Tfus322. ± 3.KAVGN/AAverage of 16 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple321. ± 3.KAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Δvap25.74 ± 0.29kcal/molCGCNichols, Kweskin, et al., 2006AC
Δvap26.00kcal/molGSKulikov, Verevkin, et al., 2001Based on data from 328. to 362. K.; AC
Δvap26.89kcal/molCGCOva, Koultek, et al., 2000AC
Quantity Value Units Method Reference Comment
Δsub40.51 ± 0.60kcal/molCGundry, Harrop, et al., 1969ALS
Δsub40.54kcal/molN/AGundry, Harrop, et al., 1969DRB
Δsub40.0 ± 0.5kcal/molVDavies and Kybett, 1965ALS
Δsub40.51 ± 0.50kcal/molN/ADavies and Kybett, 1965AC

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
453.20.013Aldrich Chemical Company Inc., 1990BS

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
24.00347.GSKulikov, Verevkin, et al., 2001Based on data from 328. to 362. K.; AC
21.1403.N/AN'Guimbi, Kasehgari, et al., 1992Based on data from 343. to 463. K.; AC
16.5524.AStephenson and Malanowski, 1987Based on data from 509. to 569. K.; AC
19.9430.AStephenson and Malanowski, 1987Based on data from 415. to 487. K. See also Ambrose, Ellender, et al., 1974.; AC
26.15329.N/AStephenson and Malanowski, 1987Based on data from 323. to 335. K.; AC
26.84338.N/AWilhoit and Zwolinski, 1973Based on data from 323. to 376. K.; AC
18.8423.N/AWilhoit and Zwolinski, 1973Based on data from 418. to 463. K.; AC
18.5460.DTAKemme and Kreps, 1969Based on data from 445. to 598. K.; AC
26.17329.MEDavies and Kybett, 1965Based on data from 323. to 335. K.; AC

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
415.44 to 487.324.051811803.451-152.831Ambrose, Ellender, et al., 1974Coefficents calculated by NIST from author's data.
498.46 to 569.14.109571845.188-148.524Ambrose and Sprake, 1970Coefficents calculated by NIST from author's data.
445.3 to 598.34.161021880.126-146.027Kemme and Kreps, 1969 

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
40.01 ± 0.50314.MEDavies and Kybett, 1965Based on data from 308. to 320. K. See also Stephenson and Malanowski, 1987.; AC

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Method Reference Comment
13.8322.2ACXing, Tan, et al., 2008Based on data from 80. to 370. K.; AC
7.91321.6DSCVentol«65533», Calvet, et al., 2004AC
8.119322.9N/AKuchhal, Shukla, et al., 1979AC
8.3000320.N/AEykman, 1889DH

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
25.93320.Eykman, 1889DH

Enthalpy of phase transition

ΔHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
2.9876308.9crystaline, IIIcrystaline, IIPetropavlov, Tsygankova, et al., 1988DH
1.243310.4crystaline, IIcrystaline, IPetropavlov, Tsygankova, et al., 1988DH
8.0306322.3crystaline, αliquidMosselman, Mourik, et al., 1974DH

Entropy of phase transition

ΔStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
9.66308.9crystaline, IIIcrystaline, IIPetropavlov, Tsygankova, et al., 1988DH
4.02310.4crystaline, IIcrystaline, IPetropavlov, Tsygankova, et al., 1988DH
24.93322.3crystaline, αliquidMosselman, Mourik, et al., 1974DH

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, IR Spectrum, 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

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

1-Hexadecanol + Chloridosulfuric acid = C16H34O4S + Hydrogen chloride

By formula: C16H34O + ClHO3S = C16H34O4S + HCl

Quantity Value Units Method Reference Comment
Δr14. ± 0.7kcal/molCmMarkitanova, Barsukov, et al., 1981liquid phase; solvent: Dichloromethane; Sulfation

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

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


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Gas Chromatography, References, Notes

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

Data compiled 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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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, 1990.
NIST MS number 114116

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, IR Spectrum, 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
CapillaryOV-101200.1868.3Kittiratanapiboon, Jeyashoke, et al., 199815. m/0.25 mm/0.2 μm, N2
PackedOV-101220.1866.0Didaoui, Touabet, et al., 1997N2, Chromosorb G HP; Column length: 2. m
CapillarySE-30200.1875.3Didaoui, Touabet, et al., 199727. m/0.4 mm/0.1 μm, N2, Chromosorb G HP
CapillaryCP Sil 5 CB240.1877.Hanai and Hong, 198930. m/0.25 mm/0.25 μm
CapillaryDB-1240.1874.Hanai and Hong, 198930. m/0.25 mm/0.25 μm
CapillarySE-30140.1852.Haken and Korhonen, 1985Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30160.1858.Haken and Korhonen, 1985Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30180.1862.Haken and Korhonen, 1985Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30200.1862.Haken and Korhonen, 1985Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30220.1861.Haken and Korhonen, 1985Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30240.1865.Haken and Korhonen, 1985Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30260.1866.Haken and Korhonen, 1985Column length: 25. m; Column diameter: 0.33 mm
PackedApiezon L210.1862.Nedopekina, Kovalev, et al., 1981N2, Chromatron N-AW-HMDS; Column length: 2.5 m
PackedOV-101150.1861.Delley and Friedrich, 1977Gas Chrom Q (80-100 mesh)
PackedSE-30180.1864.Zarazir, Chovin, et al., 1970Chromosorb W; Column length: 2. m

Kovats' RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-5MS1883.Hazzit, Baaliouamer, et al., 200630. m/0.25 mm/0.25 μm, He, 60. C @ 8. min, 2. K/min, 280. C @ 30. min
CapillaryBP-11856.Raina, Verma, et al., 200625. m/0.32 mm/0.25 μm, N2, 5. K/min, 220. C @ 13. min; Tstart: 60. C
CapillaryBP-11856.Srivastava, Srivastava, et al., 200630. m/0.32 mm/0.25 μm, N2, 5. K/min, 220. C @ 3. min; Tstart: 60. C
CapillarySPB-11863.Jayaprakasha, Rao, et al., 200230. m/0.32 mm/0.25 μm, He, 60. C @ 2. min, 2. K/min, 225. C @ 5. min
CapillaryPTE-51882.Gudzic, Dordevic, et al., 200160. m/0.32 mm/0.39 μm, H2, 4.3 K/min; Tstart: 60. C; Tend: 285. C
CapillaryOV-1011850.Ohnishi and Shibamoto, 19842. K/min; Column length: 50. m; Column diameter: 0.23 mm; Tstart: 80. C; Tend: 200. C
CapillaryOV-1011852.Ohnishi and Shibamoto, 19842. K/min; Column length: 50. m; Column diameter: 0.23 mm; Tstart: 80. C; Tend: 200. C

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

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Column type Active phase I Reference Comment
CapillaryDB-5MS1880.Maia, Andrade, et al., 200030. m/0.25 mm/0.25 μm, He; Program: 40C => 2C/min => 60C => 4C/min => 260C

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryCP-Wax240.2342.Hanai and Hong, 198925. m/0.25 mm/0.22 μm
CapillaryDB-Wax240.2379.Hanai and Hong, 198925. m/0.25 mm/0.22 μm
CapillaryOV-351140.2365.Haken and Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351160.2362.Haken and Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351180.2367.Haken and Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351200.2370.Haken and Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351220.2375.Haken and Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm

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

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Column type Active phase I Reference Comment
CapillaryHP-51876.Quijano, Salamanca, et al., 200730. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 250. C @ 10. min
CapillaryHP-5MS1882.Saroglou, Marin, et al., 200730. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C
CapillaryHP-51877.Rezazadeh, Hamedani, et al., 200625. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 240. C
CapillaryHP-5MS1871.Saroglou, Dorizas, et al., 200630. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C
CapillaryHP-51877.Vundac, Pfeifhofer, et al., 200630. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 4. K/min; Tend: 300. C
CapillaryHP-51882.Zhao J.Y., Liu J.M., et al., 200630. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 10. K/min, 250. C @ 10. min
CapillaryHP-5MS1879.Pino, Mesa, et al., 200530. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min
CapillaryDB-51879.bin Ahmad and bin Jantan, 200325. m/0.25 mm/0.25 μm, N2, 75. C @ 10. min, 3. K/min, 210. C @ 1. min
CapillaryHP-51882.Skaltsa, Demetzos, et al., 200330. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C
CapillaryHP-5MS1879.Demetzos, Angelopoulou, et al., 200230. m/0.25 mm/0.25 μm, 50. C @ 5. min, 3. K/min; Tend: 280. C
CapillaryDB-51881.Nogueira, Bittrich, et al., 200130. m/0.25 mm/0.25 μm, H2, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryBPX-51900.Oruna-Concha, Duckham, et al., 200150. m/0.32 mm/0.25 μm, He, 35. C @ 3. min, 4. K/min, 250. C @ 10. min
CapillaryCP Sil 5 CB1864.Pino and Marbot, 200150. m/0.32 mm/0.4 μm, He, 60. C @ 10. min, 3. K/min, 280. C @ 60. min
CapillaryHP-5MS1882.Skaltsa, Mavrommati, et al., 200130. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C
CapillaryHP-51881.Lazari, Skaltsa, et al., 200030. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 280. C
CapillaryDB-51882.Marques, McElfresh, et al., 200030. m/0.25 mm/0.25 μm, 100. C @ 1. min, 5. K/min, 275. C @ 3. min
CapillaryCP Sil 5 CB1864.Pfeifhofer, 200050. m/0.22 mm/0.13 μm, H2, 4. K/min, 300. C @ 10. min; Tstart: 40. C
CapillaryDB-11852.Peng, 199215. m/0.53 mm/1. μm, 40. C @ 4. min, 8. K/min; Tend: 250. C
CapillaryUltra-11856.Tokuda, Saitoh, et al., 198812.5 m/0.20 mm/0.11 μm, He, 5. K/min, 325. C @ 5. min; Tstart: 120. C
CapillaryUltra-11856.Tokuda, Saitoh, et al., 198812.5 m/0.20 mm/0.11 μm, He, 5. K/min, 325. C @ 5. min; Tstart: 120. C
CapillaryDB-51880.Rostad and Pereira, 198630. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min

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

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Column type Active phase I Reference Comment
CapillaryHP-5MS1883.9Andriamaharavo, 201430. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)
CapillarySE-521876.Bruni, Pellati, et al., 200530. m/0.32 mm/0.15 μm, He; Program: 45C => 1C/min => 100C => 5C/min => 250C(10min)
CapillaryDB-51881.Passos X.S., Castro A.C.M., et al., 200330. m/0.25 mm/0.25 μm, He; Program: 60C(2min) => 3C/min => 240C => 10C/min => 270C (4.5min)
CapillaryDB-11866.Peng, 200015. m/0.53 mm/1. μm, He; Program: 40C(3min) => 8C/min => 200(1min) => 5C/min => 300C(25min)
CapillarySE-521877.Mondello, Dugo, et al., 199560. m/0.32 mm/0.40 μm, He; Program: 45 C (6 min) 3 C/min -> 111 0C 2 C/min -> 160 C 3 C/min -> 300 C (15 min)
CapillaryMethyl Silicone1852.Peng, Yang, et al., 1991Program: not specified
PackedSE-301852.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-Wax2363.Osorio, Alarcon, et al., 200630. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 220. C @ 20. min
CapillaryStabilwax2387.Cros, Lignot, et al., 200560. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min, 240. C @ 10. min
CapillaryCarbowax 20M2332.Verzera, Campisi, et al., 200560. m/0.25 mm/0.25 μm, He, 45. C @ 0.17 min, 2. K/min; Tend: 250. C
CapillaryZB-Wax2382.Ledauphin, Saint-Clair, et al., 200430. m/0.25 mm/0.15 μm, He, 35. C @ 5. min, 5. K/min, 220. C @ 10. min
CapillaryStabilwax2387.Cros, Vandanjon, et al., 200360. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min, 240. C @ 10. min
CapillaryDB-Wax2385.Marques, McElfresh, et al., 200030. m/0.32 mm/0.25 μm, 100. C @ 1. min, 5. K/min; Tend: 240. C
CapillaryHP-Wax2391.Peng, 200015. m/0.53 mm/1. μm, He, 40. C @ 3. min, 5. K/min, 220. C @ 30. min
CapillaryCarbowax 20M2361.Mondello, Dugo, et al., 199560. m/0.32 mm/0.425 μm, He, 45. C @ 3. min, 3. K/min, 300. C @ 20. min
CapillaryDB-Wax2400.Shiratsuchi, Shimoda, et al., 199460. m/0.25 mm/0.25 μm, 2. K/min, 230. C @ 60. min; Tstart: 50. C
CapillaryDB-Wax2400.Shiratsuchi, Shimoda, et al., 1994, 260. m/0.25 mm/0.25 μm, He, 2. K/min, 230. C @ 60. min; Tstart: 50. C
CapillarySupelcowax-102381.Chung and Cadwallader, 199360. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 195. C @ 40. min
CapillaryCarbowax 20M2352.Peng, 19928. K/min, 200. C @ 60. min; Column length: 3.05 m; Tstart: 40. C
PackedCarbowax 20M2352.Peng, Yang, et al., 1991Supelcoport, 40. C @ 4. min, 8. K/min; Column length: 3.05 m; Tend: 200. C
CapillaryDB-Wax2333.Frohlich and Schreier, 199030. m/0.32 mm/0.25 μm, He, 40. C @ 3. min, 5. K/min; Tend: 220. C
CapillaryCarbowax 20M2365.Schwab, Mahr, et al., 198930. m/0.25 mm/0.25 μm, He, 40. C @ 3. min, 4. K/min; Tend: 240. C

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

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Column type Active phase I Reference Comment
CapillaryDB-Wax2400.Ferrari, Lablanquie, et al., 200460. m/0.25 mm/0.25 μm, He; Program: 35C(0.7min) => 20C/min => 70C => 4C/min => 240C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-5 MS1882.Jerkovic, Hegic, et al., 201030. m/0.25 mm/0.25 μm, Helium, 70. C @ 2. min, 3. K/min, 200. C @ 18. min
CapillaryHP-5 MS1882.Jerkovic and Marijanovic, 201030. m/0.25 mm/0.25 μm, Helium, 70. C @ 2. min, 3. K/min, 200. C @ 18. min
CapillaryHP-51880.Kahriman, Tosun, et al., 201030. m/0.32 mm/0.25 μm, Helium, 60. C @ 2. min, 3. K/min; Tend: 240. C
CapillaryHP-51882.Monsef-Esfahani, Miri, et al., 201030. m/0.25 mm/0.25 μm, Helium, 50. C @ 5. min, 3. K/min; Tend: 240. C
CapillaryHP-5 MS1883.Radulovic, Blagojevic, et al., 201030. m/0.25 mm/0.25 μm, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C
CapillaryDB-11864.Xu, Tang, et al., 201030. m/0.25 mm/0.25 μm, Helium, 50. C @ 2. min, 4. K/min, 220. C @ 2. min
CapillaryHP-51879.Lago, Favero, et al., 200930. m/0.32 mm/0.25 μm, Helium, 50. C @ 2. min, 5. K/min, 280. C @ 5. min
CapillaryHP-11865.Wetwiayaklung, Thavanapong, et al., 200925. m/0.32 mm/0.17 μm, 50. C @ 5. min, 1. K/min, 260. C @ 5. min
CapillaryHP-51870.Bousaada, Ammar, et al., 200830. m/0.25 mm/0.25 μm, Nitrogen, 50. C @ 1. min, 5. K/min, 280. C @ 1. min
CapillaryHP-5 MS1879.Forero, Quijano, et al., 200830. m/0.25 mm/0.25 μm, Helium, 50. C @ 4. min, 4. K/min, 230. C @ 10. min
CapillaryHP-51886.Saidana, Mahjoub, et al., 200830. m/0.25 mm/0.25 μm, Nitrogen, 50. C @ 1. min, 5. K/min, 280. C @ 1. min
CapillaryDB-51882.Amiri, 200750. m/0.20 mm/0.32 μm, Nitrogen, 60. C @ 3. min, 5. K/min, 220. C @ 5. min
CapillaryHP-5MS1874.Ferhat, Tigrine-Kordjani, et al., 200730. m/0.25 mm/0.25 μm, He, 60. C @ 8. min, 2. K/min, 250. C @ 15. min
CapillaryDB-51873.Smelcerovic, Spiteller, et al., 200730. m/0.25 mm/0.25 μm, He, 10. K/min, 320. C @ 4. min; Tstart: 60. C
CapillaryElite-5MS1880.Tava, Pecetti, et al., 200730. m/0.32 mm/0.5 μm, He, 40. C @ 5. min, 4. K/min, 280. C @ 10. min
CapillaryHP-1011858.Mastelic, Jerkovic, et al., 200625. m/0.2 mm/0.2 μm, He, 70. C @ 2. min, 3. K/min, 200. C @ 15. min
CapillaryDB-11866.Pala-Paul J., Perez-Alonso M.J., et al., 200650. m/0.25 mm/0.25 μm, N2, 4. K/min; Tstart: 95. C; Tend: 240. C
CapillaryHP-5MS1875.Setzer, Noletto, et al., 200630. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 3. K/min; Tend: 280. C
CapillaryHP-5 MS1874.Tigrine-Kordiani, Meklati, et al., 200630. m/0.25 mm/0.25 μm, Helium, 60. C @ 8. min, 2. K/min, 250. C @ 15. min
CapillaryHP-11864.Valette, Fernandez, et al., 200650. m/0.2 mm/0.5 μm, He, 2. K/min, 250. C @ 40. min; Tstart: 60. C
CapillaryDB-51875.Askari and Sefidkon, 200530. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 3. K/min; Tend: 210. C
CapillaryBPX51892.Dickschat, Bode, et al., 200525. m/0.22 mm/0.25 μm, Helium, 50. C @ 5. min, 5. K/min; Tend: 320. C
CapillaryDB-11841.Fakhari A.R., Sonboli A., et al., 200560. m/0.25 mm/0.25 μm, N2, 5. K/min, 250. C @ 10. min; Tstart: 60. C
CapillaryDB-11860.Khanavi, Ghasemian, et al., 200530. m/0.25 mm/0.25 μm, He, 50. C @ 1. min, 2.5 K/min, 265. C @ 20. min
CapillaryHP-51883.5Leffingwell and Alford, 200560. m/0.32 mm/0.25 μm, He, 30. C @ 2. min, 2. K/min, 260. C @ 28. min
CapillaryDB-51878.Morteza-Semnani and Saeedi, 200530. m/0.25 mm/0.25 μm, He, 60. C @ 4. min, 4. K/min; Tend: 220. C
CapillaryHP-51879.Saeidnia, Gohari, et al., 2005He, 5. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 240. C
CapillarySPB-51886.Ledauphin, Guichard, et al., 200330. m/0.32 mm/0.25 μm, He, 40. C @ 1. min, 5. K/min, 220. C @ 20. min
CapillaryDB-11875.Mahalwal and Ali, 200330. m/0.25 mm/0.25 μm, N2, 4. K/min; Tstart: 80. C; Tend: 250. C
CapillaryHP-51881.Naka, van Vang, et al., 2003He, 100. C @ 2. min, 8. K/min, 240. C @ 15. min; Column length: 30. m; Column diameter: 0.25 mm
CapillaryHP-51876.Velickovic, Randjelovic, et al., 200325. m/0.32 mm/0.53 μm, H2, 4. K/min; Tstart: 40. C; Tend: 280. C
CapillaryHP-51879.Velickovic, Randjelovic, et al., 200325. m/0.32 mm/0.53 μm, H2, 4. K/min; Tstart: 40. C; Tend: 280. C
CapillaryRSL-2001870.Jirovetz, Buchbauer, et al., 200230. m/0.32 mm/0.25 μm, H2, 40. C @ 5. min, 6. K/min, 280. C @ 5. min
CapillaryRSL-2001870.Jirovetz, Smith, et al., 200230. m/0.25 mm/0.25 μm, H2, 40. C @ 2. min, 6. K/min, 280. C @ 10. min
CapillaryDB-51876.Morteza-Semnani, Saeedi, et al., 200230. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 220. C
CapillaryHP-51879.Velickovic, Randjelovic, et al., 200230. m/0.25 mm/0.25 μm, H2, 4. K/min; Tstart: 40. C; Tend: 280. C
CapillaryHP-51880.Bicalho, Pereira, et al., 200030. m/0.25 mm/0.25 μm, H2, 40. C @ 10. min, 3. K/min, 280. C @ 10. min
CapillarySPB-51839.Kim, Kim, et al., 200060. m/0.25 mm/0.25 μm, He, 70. C @ 8. min, 5. K/min, 240. C @ 20. min
CapillaryOV-1011863.Tamura, Boonbumrung, et al., 2000Nitrogen, 40. C @ 10. min, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tend: 200. C
CapillaryDB-51841.Reverchon, Porta, et al., 199730. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 2. K/min; Tend: 250. C
CapillaryUltra-11863.Okumura, 199125. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 80. C; Tend: 260. C
CapillaryDB-11869.Shiota, 199160. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 240. C
CapillaryDB-11872.Shiota, 199160. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 240. C
CapillarySE-541890.Bestmann, Classen, et al., 1988N2, 60. C @ 2. min, 6. K/min; Column length: 25. m; Column diameter: 0.25 mm; Tend: 260. C

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

View large format table.

Column type Active phase I Reference Comment
CapillarySLB-5 MS1884.Mondello, 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillarySLB-5 MS1885.Mondello, 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillarySiloxane, 5 % Ph1894.VOC BinBase, 2012Program: not specified
CapillaryHP-5 MS1878.Payo, Colo, et al., 2011Program: not specified
CapillaryHP-5 MS1895.Payo, Colo, et al., 2011Program: not specified
CapillaryPolydimethyl siloxane, 5 % phenyl1894.Skogerson, Wohlgemuth, et al., 2011Program: not specified
CapillaryHP-51876.Kahriman, Tosun, et al., 201030. m/0.32 mm/0.25 μm, Helium; Program: not specified
CapillaryDB-11871.Xu, Tang, et al., 201030. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryZB-1 MS1854.Al-Reza, Rahman, et al., 200930. m/0.25 mm/0.25 μm, Helium; Program: 50 0C 3 0C/min -> 150 0C (10 min) 10 0C/min -> 250 0C
CapillaryBPX-51888.se Souza, Cardeal, et al., 200930. m/0.25 mm/0.25 μm, Helium; Program: 35 0C (5 min) 3 0C/min -> 210 0C 40 0C/min -> 240 0C (10 min)
CapillaryBPX-51875.se Souza, Cardeal, et al., 200930. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryHP-11865.Wetwiayaklung, Thavanapong, et al., 200925. m/0.32 mm/0.17 μm; Program: not specified
CapillaryHP-5MS1870.Liu, Song, et al., 200730. m/0.25 mm/0.25 μm, He; Program: 40C(3min) => 8C/min => 160C => 15C/min => 300C (10min)
CapillaryHP-5MS1881.Moronkola, Ogunwande, et al., 200730. m/0.25 mm/0.25 μm, He; Program: 40C(10min) => 3C/min => 200C => 2C/min => 220C
CapillaryDB-51876.Nivinsliene, Butkiene, et al., 200750. m/0.32 mm/0.25 μm, Helium; Program: 60 0C (1 min) 5 0C/min -> 160 0C 10 0C/min -> 250 0C
CapillaryCP Sil 8 CB1876.Radusiene, Judzentiene, et al., 200750. m/0.32 mm/0.25 μm, Helium; Program: 60 0C (2 min) 5 0C/min -> 160 0C (1 min) 10 0C/min -> 280 0C (3 min)
CapillaryHP-51881.Demyttenaere, Sánchez Martínez, et al., 200330. m/0.25 mm/0.25 μm, He; Program: 35C => 5C/min => 220C => 10C/min => 240C(5min)
CapillaryBPX-51894.Machiels, van Ruth, et al., 200360. m/0.32 mm/1. μm, He; Program: 40C (4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250 C (10min)
CapillaryHP-5MS1881.Demyttenaere, Sánchez Martínez, et al., 200230. m/0.25 mm/0.25 μm, He; Program: 35C => 5C/min => 160C => 10C/min => 220C (10min)
CapillaryDB-51876.Morteza-Semnani and Vahedi, 2002Program: not specified
CapillaryDB-51878.Andrade, Maia, et al., 200030. m/0.25 mm/0.25 μm, He; Program: 40C => 2C/min => 60C => 4C/min => 260C

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryAT-Wax2355.Kiss, Csoka, et al., 201160. m/0.25 mm/0.25 μm, Helium, 4. K/min; Tstart: 60. C; Tend: 280. C
CapillaryHP-Innowax2364.Bousaada, Ammar, et al., 200830. m/0.25 mm/0.25 μm, Nitrogen, 50. C @ 1. min, 5. K/min, 280. C @ 1. min
CapillaryStabilwax2387.Cros, Vandanjon, et al., 200760. m/0.25 mm/0.25 μm, Helium, 40. C @ 5. min, 3. K/min, 240. C @ 10. min
CapillaryHP-20M2386.Mastelic, Jerkovic, et al., 200650. m/0.2 mm/0.2 μm, He, 70. C @ 4. min, 4. K/min, 180. C @ 15. min
CapillaryStabilwax2387.Cros, Vandanjon, et al., 2003, 260. m/0.25 mm/0.25 μm, Helium, 40. C @ 5. min, 3. K/min, 240. C @ 10. min
CapillaryDB-Wax2383.Dregus and Engel, 200360. m/0.32 mm/0.25 μm, H2, 40. C @ 5. min, 4. K/min, 230. C @ 25. min
CapillaryTC-WAX FFS2378.Miyazawa, Maehara, et al., 2002He, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 240. C
CapillaryDB-Wax2393.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-Wax2377.Umano, Hagi, et al., 200060. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 2. K/min; Tend: 200. C
CapillaryInnowax2376.Kaya, Baser, et al., 199960. m/0.25 mm/0.25 μm, He, 60. C @ 10. min; Tend: 220. C
CapillaryHP-Innowax FSC2380.Tümen, Baser, et al., 199860. m/0.25 mm/0.25 μm, He, 60. C @ 10. min, 4. K/min, 220. C @ 10. min
CapillaryHP-Innowax FSC2380.Baser, Kirimer, et al., 1997He, 60. C @ 10. min, 4. K/min, 240. C @ 10. min; Column length: 60. m; Column diameter: 0.25 mm

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryInnowax FSC2384.Akin, Saracoglu, et al., 201260. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 oC/min -> 240 0C
CapillaryHP Innowax FSP2384.Wedge, Klun, et al., 200960. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C (20 min)
CapillaryHP-Innowax FSC2384.Baser K.H.C. and Demirci B., 200760. m/0.25 mm/0.25 μm, N2; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryCarbowax 20M2332.Editorial paper, 2005Program: not specified
CapillaryHP-Innowax FSC2384.Demirci, Baser, et al., 200360. m/0.25 mm/0.25 μm, He; Program: 60C (10min) => 4C/min => 220C (10min) => 1C/min => 240C
CapillaryHP-Innowax FSC2384.Demirci, Dadandi, et al., 200360. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryHP-Innowax FSC2384.Erdemoglu, Sener, et al., 200360. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryHP-Innowax FSC2384.Kürkcüoglu, Demirci, et al., 200360. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C(40min)
CapillaryHP-Innowax2384.Baser, Demirci, et al., 200160. m/0.25 mm/0.25 μm, He; Program: 60 0C (10 min) 10 K/min -> 220 0C (10 min) 1K/min -> 240 0C
CapillaryHP-Innowax2384.Gören, Demirci, et al., 200160. m/0.25 mm/0.25 μm, He; Program: 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C
CapillaryHP-Innowax FSC2384.Kaya, Demirci, et al., 200160. m/0.25 mm/0.25 μm; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryInnowax FSC2384.Kirimer, Tabanca, et al., 200060. m/0.25 mm/0.25 μm, He; Program: 60C(10 min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryNB-3512387.Kerrola and Kallio, 199425. m/0.32 mm/0.2 μm, He; Program: 35C(5min) => 2.5C/min => 150C => 5C/min => 240C (20min)
CapillaryDB-Wax2352.Peng, Yang, et al., 1991, 2Program: not specified

Lee's RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5MS312.09Chen, Keeran, et al., 200230. m/0.25 mm/0.5 μm, 40. C @ 1. min, 10. K/min; Tend: 310. C
CapillaryDB-5MS315.14Chen, Keeran, et al., 200230. m/0.25 mm/0.5 μm, 40. C @ 1. min, 4. K/min; Tend: 310. C
CapillaryDB-5314.03Rostad and Pereira, 198630. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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.

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Gundry, Harrop, et al., 1969
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Parks, Mosley, et al., 1950
Parks, G.S.; Mosley, J.R.; Peterson, P.V., Jr., Heats of combustion and formation of some organic compounds containing oxygen, J. Chem. Phys., 1950, 18, 152. [all data]

Wilhoit R.C., 1973
Wilhoit R.C., Physical and thermodynamic properties of aliphatic alcohols, J. Phys. Chem. Ref. Data, 1973, 2, Suppl. 1, 1-420. [all data]

Green J.H.S., 1961
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Notes

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