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1-Propanol

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Gas phase thermochemistry data

Go To: Top, 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, 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
Deltafgas-61.2 ± 0.7kcal/molAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
gas77.077cal/mol*KN/AChao J., 1986Other values based on low-temperature thermal measurements are: 321.6 [ Buckley E., 1967], 321.7 [ Counsell J.F., 1968], 322.59 [ Green J.H.S., 1961], 323.42 [ Chermin H.A.G., 1961], and 324.72 J/mol*K [ Wilhoit R.C., 1973].; GT

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
9.69950.Thermodynamics Research Center, 1997p=1 bar. Discrepancies with other statistically calculated S(T) and Cp(T) values [ Green J.H.S., 1961, Mathews J.F., 1961, Chao J., 1986, 2], [ Chermin H.A.G., 1961], and [ Kobe K.A., 1951, Zhuravlev E.Z., 1959] amount up to 2.5, 4, and 7 J/mol*K, respectively. Please also see Chao J., 1986.; GT
12.32100.
14.08150.
15.86200.
19.17273.15
20.45 ± 0.033298.15
20.54300.
25.820400.
30.638500.
34.754600.
38.253700.
41.257800.
43.860900.
46.1211000.
48.0931100.
49.8091200.
51.3071300.
52.6151400.
53.7601500.
56.051750.
57.702000.
58.942250.
59.872500.
60.72750.
61.23000.

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
24.441 ± 0.048371.2Stromsoe E., 1970Ideal gas heat capacities are given by [ Stromsoe E., 1970] as a linear function Cp=f1*(a+bT). This expression approximates the experimental values with the average deviation of 0.96 J/mol*K. The accuracy of the experimental heat capacities [ Stromsoe E., 1970] is estimated as less than 0.3%. Please also see Mathews J.F., 1961.; GT
25.64 ± 0.23375.45
25.97 ± 0.23383.05
26.15 ± 0.23387.15
25.440 ± 0.050391.2
26.58 ± 0.23396.95
27.15 ± 0.23409.95
26.391 ± 0.053411.2
27.62 ± 0.23420.75
27.72 ± 0.23422.95
27.330 ± 0.055431.2
28.37 ± 0.23437.95
28.351 ± 0.057451.2
29.38 ± 0.23461.05
30.01 ± 0.23475.35
31.30 ± 0.23504.95
31.60 ± 0.23511.85
32.50 ± 0.23532.35
33.71 ± 0.23560.05
34.53 ± 0.23578.85
35.60 ± 0.23603.25

Condensed phase thermochemistry data

Go To: Top, Gas 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, 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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafliquid-72.309 ± 0.060kcal/molCcbMosselman and Dekker, 1975ALS
Deltafliquid-72.42 ± 0.31kcal/molEqkConnett, 1972ALS
Deltafliquid-72.79 ± 0.09kcal/molCcbChao and Rossini, 1965see Rossini, 1934; ALS
Deltafliquid-72.3 ± 1.0kcal/molCcbSnelson and Skinner, 1961ALS
Deltafliquid-73.20 ± 0.24kcal/molCcbGreen, 1960ALS
Quantity Value Units Method Reference Comment
Deltacliquid-483.105 ± 0.060kcal/molCcbMosselman and Dekker, 1975Corresponding «DELTA»fliquid = -72.309 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-482.64 ± 0.07kcal/molCcbChao and Rossini, 1965see Rossini, 1934; Corresponding «DELTA»fliquid = -72.77 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-483.12 ± 0.18kcal/molCcbSnelson and Skinner, 1961Corresponding «DELTA»fliquid = -72.29 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-482.23 ± 0.24kcal/molCcbGreen, 1960Corresponding «DELTA»fliquid = -73.18 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-485.801kcal/molCcbRichards and Davis, 1920At 291 K; Corresponding «DELTA»fliquid = -69.613 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid46.08cal/mol*KN/ACounsell, Lees, et al., 1968DH
liquid51.20cal/mol*KN/AParks and Huffman, 1926Extrapolation below 90 K, 64.85 J/mol*K.; DH
Quantity Value Units Method Reference Comment
solid,1 bar26.94cal/mol*KN/ACounsell, Lees, et al., 1968glass phase; DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
34.56298.Korolev, Kukharenko, et al., 1986DH
34.407298.15Tanaka, Toyama, et al., 1986DH
34.522298.15Zegers and Somsen, 1984DH
33.078288.15Benson and D'Arcy, 1982DH
35.105298.15Villamanan, Casanova, et al., 1982DH
33.89293.15Arutyunyan, Bagdasaryan, et al., 1981T = 293 to 353 K. p = 0.1 MPa. Unsmoothed experimental datum given as 2.360 kJ/kg*K. Cp given from 293.25 to 533.15 K for pressure range 10 to 60 MPa.; DH
34.976298.216Kalinowska, Jedlinska, et al., 1980T = 185 to 300 K. Unsmoothed experimental datum.; DH
35.35303.4Griigo'ev, Yanin, et al., 1979T = 303 to 463 K. p = 0.98 bar.; DH
34.362298.15Vesely, Zabransky, et al., 1979DH
35.61298.15Murthy and Subrahmanyam, 1977DH
34.364298.15Vesely, Svoboda, et al., 1977DH
34.386298.15Fortier, Benson, et al., 1976DH
34.4316298.15Fortier and Benson, 1976DH
37.91313.2Paz Andrade, Paz, et al., 1970DH
34.37298.15Counsell, Lees, et al., 1968T = 11 to 350 K.; DH
34.92298.Recko, 1968T = 24 to 40°C, equation only.; DH
37.19320.Swietoslawski and Zielenkiewicz, 1960Mean value 21 to 74°C.; DH
33.511303.Eucken and Eigen, 1951T = 303 to 393 K.; DH
34.80298.1Zhdanov, 1941T = 5 to 46°C.; DH
39.39301.2Phillip, 1939DH
32.50270.Mitsukuri and Hara, 1929T = 170 to 270 K.; DH
46.10298.1Parks, Kelley, et al., 1929Extrapolation below 90 K, 43.5 J/mol*K. Revision of previous data.; DH
31.91275.4Parks and Huffman, 1927T = 86 to 275 K. Value is unsmoothed experimental datum.; DH
31.91275.0Parks and Huffman, 1926T = 86 to 275 K. Value is unsmoothed experimental datum.; DH
31.38274.6Gibson, Parks, et al., 1920T = 77 to 274.6 K. Unsmoothed experimental datum.; DH
34.61298.von Reis, 1881T = 289 to 363 K.; DH

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
25.41150.Counsell, Lees, et al., 1968glass phase; T = 10 to 150 K.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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, 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
Tboil370.3 ± 0.5KAVGN/AAverage of 128 out of 140 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus146.95KN/AAnonymous, 1968TRC
Tfus146.7KN/ATschamler, Richter, et al., 1949Uncertainty assigned by TRC = 0.5 K; TRC
Tfus147.KN/ATimmermans, 1935Uncertainty assigned by TRC = 3. K; TRC
Quantity Value Units Method Reference Comment
Ttriple148.75KN/AWilhoit, Chao, et al., 1985Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple148.75KN/ACounsell, Lees, et al., 1968, 2Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple147.0KN/AParks and Huffman, 1926, 2Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Tc536.9 ± 0.8KAVGN/AAverage of 20 out of 25 values; Individual data points
Quantity Value Units Method Reference Comment
Pc51. ± 1.atmAVGN/AAverage of 12 values; Individual data points
Quantity Value Units Method Reference Comment
Vc0.218l/molN/AGude and Teja, 1995 
Vc0.216l/molN/AZawisza and Vejrosta, 1982Uncertainty assigned by TRC = 0.001 l/mol; Visual; TRC
Quantity Value Units Method Reference Comment
rhoc4.58 ± 0.06mol/lAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Deltavap11.3 ± 0.4kcal/molAVGN/AAverage of 15 values; Individual data points

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
9.904370.3N/AMajer and Svoboda, 1985 
9.85371.N/AWormald and Vine, 2000AC
8.41423.N/AWormald and Vine, 2000AC
7.03453.N/AWormald and Vine, 2000AC
5.02498.N/AWormald and Vine, 2000AC
2.72528.N/AWormald and Vine, 2000AC
11.2318.N/AAucejo, Gonzalez-Alfaro, et al., 1995Based on data from 303. - 370. K.; AC
10.3375.N/AOrtega, Susial, et al., 1990Based on data from 360. - 377. K.; AC
11.5214.AStephenson and Malanowski, 1987Based on data from 200. - 228. K.; AC
10.4366.AStephenson and Malanowski, 1987Based on data from 356. - 376. K.; AC
10.1384.AStephenson and Malanowski, 1987Based on data from 369. - 407. K.; AC
9.58416.AStephenson and Malanowski, 1987Based on data from 401. - 482. K.; AC
8.72492.AStephenson and Malanowski, 1987Based on data from 478. - 507. K.; AC
11.1 ± 0.02313.CSvoboda, Veselý, et al., 1973AC
10.9 ± 0.02323.CSvoboda, Veselý, et al., 1973AC
10.7 ± 0.02333.CSvoboda, Veselý, et al., 1973AC
10.5 ± 0.02343.CSvoboda, Veselý, et al., 1973AC
10.3 ± 0.02353.CSvoboda, Veselý, et al., 1973AC
10.1 ± 0.02363.CSvoboda, Veselý, et al., 1973AC
11.8290.N/AWilhoit and Zwolinski, 1973Based on data from 275. - 373. K.; AC
10.7348.EBAmbrose, Counsell, et al., 1970Based on data from 333. - 377. K. See also Stephenson and Malanowski, 1987.; AC
11.2307.DTAKemme and Kreps, 1969Based on data from 292. - 370. K.; AC
11.2303.N/AVan Ness, Soczek, et al., 1967Based on data from 288. - 348. K.; AC
9.73420.N/AAmbrose and Townsend, 1963Based on data from 405. - 537. K.; AC
10.6353.EBBiddiscombe, Collerson, et al., 1963Based on data from 338. - 378. K.; AC
10.5358.N/AMathews and McKetta, 1961Based on data from 343. - 385. K.; AC
10.5 ± 0.02343.CMathews and McKetta, 1961AC
10.1 ± 0.02360.CMathews and McKetta, 1961AC
9.85 ± 0.02370.CMathews and McKetta, 1961AC
9.63 ± 0.02378.CMathews and McKetta, 1961AC
9.49 ± 0.02384.CMathews and McKetta, 1961AC
10.9321. - 367.N/AAronovich, Kastorskii, et al., 1959AC
10.3354.N/AWilliamson and Harrison, 1957AC
10.75 ± 0.10333.13VWilliamson and Harrison, 1957, 2ALS

Enthalpy of vaporization

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

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Temperature (K) 298. - 390.
A (kcal/mol) 12.44
alpha -0.8386
beta 0.6888
Tc (K) 536.7
ReferenceMajer and Svoboda, 1985

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
333.32 - 377.724.870301441.629-74.299Ambrose and Sprake, 1970Coefficents calculated by NIST from author's data.
292.4 - 370.55.308131690.864-51.804Kemme and Kreps, 1969 
405.46 - 536.714.593001300.491-86.364Ambrose and Townsend, 1963, 2Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
1.284148.75Counsell, Lees, et al., 1968DH
1.3148.7van Miltenburg and van den Berg, 2004AC
1.28148.8Counsell, Lees, et al., 1968, 2AC
1.241147.0Parks and Huffman, 1926DH

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
8.630148.75Counsell, Lees, et al., 1968DH
8.44147.0Parks and Huffman, 1926DH

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, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), 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 as indicated in comments:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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

C3H9O+ + 1-Propanol = (C3H9O+ bullet 1-Propanol)

By formula: C3H9O+ + C3H8O = (C3H9O+ bullet C3H8O)

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

Quantity Value Units Method Reference Comment
Deltar30.4kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; switching reaction(CH3CNH+)CH3CN; Lias, Liebman, et al., 1984, Deakyne, Meot-Ner (Mautner), et al., 1986; M
Deltar31.6kcal/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar26.7cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; switching reaction(CH3CNH+)CH3CN; Lias, Liebman, et al., 1984, Deakyne, Meot-Ner (Mautner), et al., 1986; M
Deltar30.2cal/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar22.6kcal/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

C2H7O+ + 1-Propanol = (C2H7O+ bullet 1-Propanol)

By formula: C2H7O+ + C3H8O = (C2H7O+ bullet C3H8O)

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

Quantity Value Units Method Reference Comment
Deltar30.3kcal/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar28.4cal/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar21.8kcal/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

C4H11O+ + 1-Propanol = (C4H11O+ bullet 1-Propanol)

By formula: C4H11O+ + C3H8O = (C4H11O+ bullet C3H8O)

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

Quantity Value Units Method Reference Comment
Deltar31.7kcal/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar29.2cal/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar23.0kcal/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

C3H7O- + Hydrogen cation = 1-Propanol

By formula: C3H7O- + H+ = C3H8O

Quantity Value Units Method Reference Comment
Deltar375.7 ± 1.3kcal/molD-EAEllison, Engleking, et al., 1982gas phase; B
Deltar376.0 ± 2.1kcal/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar376.2 ± 2.0kcal/molCIDCHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
Quantity Value Units Method Reference Comment
Deltar369.2 ± 1.4kcal/molH-TSEllison, Engleking, et al., 1982gas phase; B
Deltar369.4 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar369.6 ± 2.1kcal/molH-TSHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B

C4H9O- + 1-Propanol = (C4H9O- bullet 1-Propanol)

By formula: C4H9O- + C3H8O = (C4H9O- bullet C3H8O)

Quantity Value Units Method Reference Comment
Deltar27.3 ± 2.9kcal/molN/ACaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M
Quantity Value Units Method Reference Comment
Deltar29.3cal/mol*KN/ACaldwell, Rozeboom, et al., 1984gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M
Quantity Value Units Method Reference Comment
Deltar18.6 ± 2.0kcal/molIMRECaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M

C8H5- + 1-Propanol = (C8H5- bullet 1-Propanol)

By formula: C8H5- + C3H8O = (C8H5- bullet C3H8O)

Quantity Value Units Method Reference Comment
Deltar22.5 ± 2.9kcal/molN/ACaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M
Quantity Value Units Method Reference Comment
Deltar29.3cal/mol*KN/ACaldwell, Rozeboom, et al., 1984gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M
Quantity Value Units Method Reference Comment
Deltar13.8 ± 2.0kcal/molIMRECaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M

C3H7O- + 1-Propanol = (C3H7O- bullet 1-Propanol)

By formula: C3H7O- + C3H8O = (C3H7O- bullet C3H8O)

Quantity Value Units Method Reference Comment
Deltar28.5 ± 2.9kcal/molN/ACaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M
Quantity Value Units Method Reference Comment
Deltar29.3cal/mol*KN/ACaldwell, Rozeboom, et al., 1984gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M
Quantity Value Units Method Reference Comment
Deltar19.4 ± 2.0kcal/molIMRECaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M

Chlorine anion + 1-Propanol = (Chlorine anion bullet 1-Propanol)

By formula: Cl- + C3H8O = (Cl- bullet C3H8O)

Quantity Value Units Method Reference Comment
Deltar20.40 ± 0.50kcal/molTDAsHiraoka, 1987gas phase; B,B,M
Deltar17.7 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar29.0cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Deltar23.2cal/mol*KN/ALarson and McMahon, 1984gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M
Quantity Value Units Method Reference Comment
Deltar11.70kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B
Deltar11.7 ± 2.0kcal/molTDAsHiraoka, 1987gas phase; B
Deltar10.8 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M

C3H5O+ + 1-Propanol = (C3H5O+ bullet 1-Propanol)

By formula: C3H5O+ + C3H8O = (C3H5O+ bullet C3H8O)

Quantity Value Units Method Reference Comment
Deltar21.7kcal/molICRCaldwell, Rozeboom, et al., 1984gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M
Quantity Value Units Method Reference Comment
Deltar29.3cal/mol*KN/ACaldwell, Rozeboom, et al., 1984gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M
Quantity Value Units Method Reference Comment
Deltar13.0kcal/molICRCaldwell, Rozeboom, et al., 1984gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M

C3H9Si+ + 1-Propanol = (C3H9Si+ bullet 1-Propanol)

By formula: C3H9Si+ + C3H8O = (C3H9Si+ bullet C3H8O)

Quantity Value Units Method Reference Comment
Deltar43.3kcal/molPHPMSWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder((CH3)3Si+))H2O, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar30.8cal/mol*KN/AWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder((CH3)3Si+))H2O, Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
28.9468.PHPMSWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder((CH3)3Si+))H2O, Entropy change calculated or estimated; M

C3H9Sn+ + 1-Propanol = (C3H9Sn+ bullet 1-Propanol)

By formula: C3H9Sn+ + C3H8O = (C3H9Sn+ bullet C3H8O)

Quantity Value Units Method Reference Comment
Deltar35.5kcal/molPHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar32.cal/mol*KN/AStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
18.7525.PHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

C5H11O- + 1-Propanol = (C5H11O- bullet 1-Propanol)

By formula: C5H11O- + C3H8O = (C5H11O- bullet C3H8O)

Quantity Value Units Method Reference Comment
Deltar26.9 ± 2.9kcal/molN/ACaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Deltar18.2 ± 2.0kcal/molIMRECaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B

C3H5O- + 1-Propanol = (C3H5O- bullet 1-Propanol)

By formula: C3H5O- + C3H8O = (C3H5O- bullet C3H8O)

Quantity Value Units Method Reference Comment
Deltar21.6 ± 2.9kcal/molN/ACaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Deltar12.9 ± 2.0kcal/molIMRECaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B

(C3H9O+ bullet 71-Propanol) + 1-Propanol = (C3H9O+ bullet 81-Propanol)

By formula: (C3H9O+ bullet 7C3H8O) + C3H8O = (C3H9O+ bullet 8C3H8O)

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

Quantity Value Units Method Reference Comment
Deltar11.kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar30.cal/mol*KN/AMeot-Ner (Mautner), 1992gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
4.1215.PHPMSMeot-Ner (Mautner), 1992gas phase; Entropy change calculated or estimated; M

(Chlorine anion bullet 71-Propanol) + 1-Propanol = (Chlorine anion bullet 81-Propanol)

By formula: (Cl- bullet 7C3H8O) + C3H8O = (Cl- bullet 8C3H8O)

Quantity Value Units Method Reference Comment
Deltar10.8 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B,M
Quantity Value Units Method Reference Comment
Deltar30.cal/mol*KN/AHiraoka and Mizuse, 1987gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar1.8 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B

Fluorine anion + 1-Propanol = (Fluorine anion bullet 1-Propanol)

By formula: F- + C3H8O = (F- bullet C3H8O)

Quantity Value Units Method Reference Comment
Deltar32.3 ± 2.0kcal/molIMRELarson and McMahon, 1983gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar25.4cal/mol*KN/ALarson and McMahon, 1983gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Quantity Value Units Method Reference Comment
Deltar24.7 ± 2.0kcal/molIMRELarson and McMahon, 1983gas phase; B,M

(C3H9O+ bullet 21-Propanol) + 1-Propanol = (C3H9O+ bullet 31-Propanol)

By formula: (C3H9O+ bullet 2C3H8O) + C3H8O = (C3H9O+ bullet 3C3H8O)

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

Quantity Value Units Method Reference Comment
Deltar14.4kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Deltar14.2kcal/molPHPMSHiraoka, Morise, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar25.5cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
Deltar23.8cal/mol*KPHPMSHiraoka, Morise, et al., 1986gas phase; M

(C3H9O+ bullet 31-Propanol) + 1-Propanol = (C3H9O+ bullet 41-Propanol)

By formula: (C3H9O+ bullet 3C3H8O) + C3H8O = (C3H9O+ bullet 4C3H8O)

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

Quantity Value Units Method Reference Comment
Deltar11.9kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Deltar11.7kcal/molPHPMSHiraoka, Morise, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar24.8cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
Deltar23.0cal/mol*KPHPMSHiraoka, Morise, et al., 1986gas phase; M

(C3H9O+ bullet 1-Propanol) + 1-Propanol = (C3H9O+ bullet 21-Propanol)

By formula: (C3H9O+ bullet C3H8O) + C3H8O = (C3H9O+ bullet 2C3H8O)

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

Quantity Value Units Method Reference Comment
Deltar21.6kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Deltar18.9kcal/molPHPMSHiraoka, Morise, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar31.4cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
Deltar23.0cal/mol*KPHPMSHiraoka, Morise, et al., 1986gas phase; M

Propanal + Hydrogen = 1-Propanol

By formula: C3H6O + H2 = C3H8O

Quantity Value Units Method Reference Comment
Deltar-20.14 ± 0.09kcal/molCmWiberg, Crocker, et al., 1991liquid phase; solvent: Triglyme; Heat of hydrogenation; ALS
Deltar-16.62 ± 0.18kcal/molEqkConnett, 1972gas phase; At 473-524 K; ALS
Deltar-15.72 ± 0.16kcal/molChydBuckley and Cox, 1967gas phase; ALS

(Chlorine anion bullet 21-Propanol) + 1-Propanol = (Chlorine anion bullet 31-Propanol)

By formula: (Cl- bullet 2C3H8O) + C3H8O = (Cl- bullet 3C3H8O)

Quantity Value Units Method Reference Comment
Deltar14.2 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar31.2cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar4.8 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion bullet 31-Propanol) + 1-Propanol = (Chlorine anion bullet 41-Propanol)

By formula: (Cl- bullet 3C3H8O) + C3H8O = (Cl- bullet 4C3H8O)

Quantity Value Units Method Reference Comment
Deltar13.3 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar32.1cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar3.7 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion bullet 41-Propanol) + 1-Propanol = (Chlorine anion bullet 51-Propanol)

By formula: (Cl- bullet 4C3H8O) + C3H8O = (Cl- bullet 5C3H8O)

Quantity Value Units Method Reference Comment
Deltar12.6 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar32.9cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar2.7 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion bullet 51-Propanol) + 1-Propanol = (Chlorine anion bullet 61-Propanol)

By formula: (Cl- bullet 5C3H8O) + C3H8O = (Cl- bullet 6C3H8O)

Quantity Value Units Method Reference Comment
Deltar11.6 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar31.0cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar2.3 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion bullet 61-Propanol) + 1-Propanol = (Chlorine anion bullet 71-Propanol)

By formula: (Cl- bullet 6C3H8O) + C3H8O = (Cl- bullet 7C3H8O)

Quantity Value Units Method Reference Comment
Deltar11.0 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar30.2cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar1.9 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion bullet 1-Propanol) + 1-Propanol = (Chlorine anion bullet 21-Propanol)

By formula: (Cl- bullet C3H8O) + C3H8O = (Cl- bullet 2C3H8O)

Quantity Value Units Method Reference Comment
Deltar15.8 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar25.4cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar8.2 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

(C3H9O+ bullet 41-Propanol) + 1-Propanol = (C3H9O+ bullet 51-Propanol)

By formula: (C3H9O+ bullet 4C3H8O) + C3H8O = (C3H9O+ bullet 5C3H8O)

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

Quantity Value Units Method Reference Comment
Deltar10.9kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Quantity Value Units Method Reference Comment
Deltar25.4cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M

(C3H9O+ bullet 51-Propanol) + 1-Propanol = (C3H9O+ bullet 61-Propanol)

By formula: (C3H9O+ bullet 5C3H8O) + C3H8O = (C3H9O+ bullet 6C3H8O)

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

Quantity Value Units Method Reference Comment
Deltar11.1kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Quantity Value Units Method Reference Comment
Deltar28.8cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M

(C3H9O+ bullet 61-Propanol) + 1-Propanol = (C3H9O+ bullet 71-Propanol)

By formula: (C3H9O+ bullet 6C3H8O) + C3H8O = (C3H9O+ bullet 7C3H8O)

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

Quantity Value Units Method Reference Comment
Deltar10.9kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Quantity Value Units Method Reference Comment
Deltar30.5cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M

CH6N+ + 1-Propanol = (CH6N+ bullet 1-Propanol)

By formula: CH6N+ + C3H8O = (CH6N+ bullet C3H8O)

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

Quantity Value Units Method Reference Comment
Deltar22.0kcal/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar25.6cal/mol*KPHPMSMeot-Ner, 1984gas phase; M

Sodium ion (1+) + 1-Propanol = (Sodium ion (1+) bullet 1-Propanol)

By formula: Na+ + C3H8O = (Na+ bullet C3H8O)

Quantity Value Units Method Reference Comment
Deltar25.8 ± 1.0kcal/molCIDTArmentrout and Rodgers, 2000RCD
Deltar25.8 ± 1.0kcal/molCIDTRodgers and Armentrout, 1999RCD

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
0.00.CIDTRodgers and Armentrout, 1999RCD

2-Propen-1-ol + Hydrogen = 1-Propanol

By formula: C3H6O + H2 = C3H8O

Quantity Value Units Method Reference Comment
Deltar-31.22 ± 0.42kcal/molChydDolliver, Gresham, et al., 1938gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -31.5 ± 0.3 kcal/mol; At 355°K; ALS

thiophenoxide anion + 1-Propanol = (thiophenoxide anion bullet 1-Propanol)

By formula: C6H5S- + C3H8O = (C6H5S- bullet C3H8O)

Quantity Value Units Method Reference Comment
Deltar15.0kcal/molPHPMSSieck and Meot-ner, 1989gas phase; M
Quantity Value Units Method Reference Comment
Deltar26.0cal/mol*KPHPMSSieck and Meot-ner, 1989gas phase; M

Fluorine anion + 1-Propanol = C3H7D8FO-

By formula: F- + C3H8O = C3H7D8FO-

Quantity Value Units Method Reference Comment
Deltar24.3 ± 2.0kcal/molIMREWilkinson, Szulejko, et al., 1992gas phase; Reported relative to ROH..F-, 0.5 kcal/mol weaker.; B

Magnesium ion (1+) + 1-Propanol = (Magnesium ion (1+) bullet 1-Propanol)

By formula: Mg+ + C3H8O = (Mg+ bullet C3H8O)

Quantity Value Units Method Reference Comment
Deltar64. ± 5.kcal/molICROperti, Tews, et al., 1988gas phase; switching reaction,Thermochemical ladder(Mg+)CH3OH; M

Propyl gallate + Water = Benzoic acid, 3,4,5-trihydroxy- + 1-Propanol

By formula: C10H12O5 + H2O = C7H6O5 + C3H8O

Quantity Value Units Method Reference Comment
Deltar-3.7 ± 1.6kcal/molEqkTewari, Schantz, et al., 1996liquid phase; solvent: Toluene; ALS

1-Propanol + Ethene, 1,1-dichloro-2,2-difluoro- = C5H8Cl2F2O

By formula: C3H8O + C2Cl2F2 = C5H8Cl2F2O

Quantity Value Units Method Reference Comment
Deltar-39.1 ± 0.4kcal/molCmKennedy, Lacher, et al., 1969gas phase; ALS

1-Propanol + Nitric acid = Nitric acid, propyl ester + Water

By formula: C3H8O + HNO3 = C3H7NO3 + H2O

Quantity Value Units Method Reference Comment
Deltar-5.21kcal/molEqkRubtsov, 1986liquid phase; ALS

Ketene + 1-Propanol = n-Propyl acetate

By formula: C2H2O + C3H8O = C5H10O2

Quantity Value Units Method Reference Comment
Deltar-35.32kcal/molCmRice and Greenberg, 1934gas phase; ALS

Lithium ion (1+) + 1-Propanol = (Lithium ion (1+) bullet 1-Propanol)

By formula: Li+ + C3H8O = (Li+ bullet C3H8O)

Quantity Value Units Method Reference Comment
Deltar40.9 ± 1.9kcal/molCIDTRodgers and Armentrout, 2000RCD

Maleic anhydride + 1-Propanol = propyl hydrogen maleate

By formula: C4H2O3 + C3H8O = propyl hydrogen maleate

Quantity Value Units Method Reference Comment
Deltar-8.4kcal/molKinTribunescu, Poraicu, et al., 1978liquid phase; 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
110. QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
130.7500.MN/A 
150. CN/A 
160. MN/A 
140. MButler, Ramchandani, et al., 1935This paper supersedes earlier work with more concentrated solutions Butler, Thomson, et al., 1933.

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), 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 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
LL - Sharon G. Lias and Joel F. Liebman

View reactions leading to C3H8O+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)10.22 ± 0.06eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)188.0kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity180.7kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
10.22 ± 0.07EIBowen and Maccoll, 1984LBLHLM
10.0EIMcLafferty, Bente, et al., 1973LLK
10.15 ± 0.025PEJohnstone and Mellon, 1972LLK
10.16 ± 0.03EIJohnstone and Mellon, 1972LLK
10.32 ± 0.02PECocksey, Eland, et al., 1971LLK
10.25PEDewar and Worley, 1969RDSH
10.22 ± 0.04PIRefaey and Chupka, 1968RDSH
10.20PIWatanabe, Nakayama, et al., 1962RDSH
10.51PEBenoit and Harrison, 1977Vertical value; LLK
10.52 ± 0.03PEPeel and Willett, 1975Vertical value; LLK
10.51PERobin and Kuebler, 1973Vertical value; LLK
10.49PEKatsumata, Iwai, et al., 1973Vertical value; LLK
10.48PEBaker, Betteridge, et al., 1971Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CH3O+11.20C2H5EIHolmes, Lossing, et al., 1988LL
CH3O+12.3 ± 0.9C2H5EIBowen and Maccoll, 1984LBLHLM
CH3O+11.50 ± 0.08C2H3EISelim and Helal, 1981LLK
CH3O+11.16 ± 0.03C2H5EIJohnstone and Mellon, 1972LLK
CH3O+~11.3C2H5PIRefaey and Chupka, 1968RDSH
CH3O+~11.11C2H5PIChupka, 1959RDSH
C2H3+14.7?EIFriedman, Long, et al., 1957RDSH
C2H4+~11.9?PIRefaey and Chupka, 1968RDSH
C2H5+12.3CH2OHPIRefaey and Chupka, 1968RDSH
C2H5O+11.35 ± 0.04CH3EISolka and Russell, 1974LLK
C2H5O+11.1 ± 0.1CH3PIRefaey and Chupka, 1968RDSH
C2H5O+11.1CH3EIFriedman, Long, et al., 1957RDSH
C3H3+15.6?EIFriedman, Long, et al., 1957RDSH
C3H5+12.6?PIRefaey and Chupka, 1968RDSH
C3H6+10.56 ± 0.05H2OEIHolmes, Mommers, et al., 1984LBLHLM
C3H6+10.65 ± 0.09H2OEIBowen and Maccoll, 1984LBLHLM
C3H6+10.3H2OEIMcLafferty, Bente, et al., 1973LLK
C3H6+10.33 ± 0.03H2OEIJohnstone and Mellon, 1972LLK
C3H6+10.65 ± 0.03H2OPIRefaey and Chupka, 1968RDSH
C3H6+10.50H2OPIChupka, 1959RDSH
C3H7+11.6 ± 0.1OHPIRefaey and Chupka, 1968RDSH
C3H7O+10.72 ± 0.09HEIBowen and Maccoll, 1984LBLHLM
C3H7O+10.2HEIMcLafferty, Bente, et al., 1973LLK
C3H7O+10.48 ± 0.03HEIJohnstone and Mellon, 1972LLK
C3H7O+10.72HPIRefaey and Chupka, 1968RDSH
C3H7O+10.69HEILambdin, Tuffly, et al., 1959RDSH

De-protonation reactions

C3H7O- + Hydrogen cation = 1-Propanol

By formula: C3H7O- + H+ = C3H8O

Quantity Value Units Method Reference Comment
Deltar375.7 ± 1.3kcal/molD-EAEllison, Engleking, et al., 1982gas phase; B
Deltar376.0 ± 2.1kcal/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar376.2 ± 2.0kcal/molCIDCHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
Quantity Value Units Method Reference Comment
Deltar369.2 ± 1.4kcal/molH-TSEllison, Engleking, et al., 1982gas phase; B
Deltar369.4 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar369.6 ± 2.1kcal/molH-TSHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B

Ion clustering data

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, IR Spectrum, Mass spectrum (electron ionization), 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 as indicated in comments:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
RCD - Robert C. Dunbar

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

CH6N+ + 1-Propanol = (CH6N+ bullet 1-Propanol)

By formula: CH6N+ + C3H8O = (CH6N+ bullet C3H8O)

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

Quantity Value Units Method Reference Comment
Deltar22.0kcal/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar25.6cal/mol*KPHPMSMeot-Ner, 1984gas phase; M

C2H7O+ + 1-Propanol = (C2H7O+ bullet 1-Propanol)

By formula: C2H7O+ + C3H8O = (C2H7O+ bullet C3H8O)

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

Quantity Value Units Method Reference Comment
Deltar30.3kcal/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar28.4cal/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar21.8kcal/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

C3H5O+ + 1-Propanol = (C3H5O+ bullet 1-Propanol)

By formula: C3H5O+ + C3H8O = (C3H5O+ bullet C3H8O)

Quantity Value Units Method Reference Comment
Deltar21.7kcal/molICRCaldwell, Rozeboom, et al., 1984gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M
Quantity Value Units Method Reference Comment
Deltar29.3cal/mol*KN/ACaldwell, Rozeboom, et al., 1984gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M
Quantity Value Units Method Reference Comment
Deltar13.0kcal/molICRCaldwell, Rozeboom, et al., 1984gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M

C3H5O- + 1-Propanol = (C3H5O- bullet 1-Propanol)

By formula: C3H5O- + C3H8O = (C3H5O- bullet C3H8O)

Quantity Value Units Method Reference Comment
Deltar21.6 ± 2.9kcal/molN/ACaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Deltar12.9 ± 2.0kcal/molIMRECaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B

C3H7O- + 1-Propanol = (C3H7O- bullet 1-Propanol)

By formula: C3H7O- + C3H8O = (C3H7O- bullet C3H8O)

Quantity Value Units Method Reference Comment
Deltar28.5 ± 2.9kcal/molN/ACaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M
Quantity Value Units Method Reference Comment
Deltar29.3cal/mol*KN/ACaldwell, Rozeboom, et al., 1984gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M
Quantity Value Units Method Reference Comment
Deltar19.4 ± 2.0kcal/molIMRECaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M

C3H9O+ + 1-Propanol = (C3H9O+ bullet 1-Propanol)

By formula: C3H9O+ + C3H8O = (C3H9O+ bullet C3H8O)

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

Quantity Value Units Method Reference Comment
Deltar30.4kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; switching reaction(CH3CNH+)CH3CN; Lias, Liebman, et al., 1984, Deakyne, Meot-Ner (Mautner), et al., 1986; M
Deltar31.6kcal/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar26.7cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; switching reaction(CH3CNH+)CH3CN; Lias, Liebman, et al., 1984, Deakyne, Meot-Ner (Mautner), et al., 1986; M
Deltar30.2cal/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar22.6kcal/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

(C3H9O+ bullet 1-Propanol) + 1-Propanol = (C3H9O+ bullet 21-Propanol)

By formula: (C3H9O+ bullet C3H8O) + C3H8O = (C3H9O+ bullet 2C3H8O)

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

Quantity Value Units Method Reference Comment
Deltar21.6kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Deltar18.9kcal/molPHPMSHiraoka, Morise, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar31.4cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
Deltar23.0cal/mol*KPHPMSHiraoka, Morise, et al., 1986gas phase; M

(C3H9O+ bullet 21-Propanol) + 1-Propanol = (C3H9O+ bullet 31-Propanol)

By formula: (C3H9O+ bullet 2C3H8O) + C3H8O = (C3H9O+ bullet 3C3H8O)

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

Quantity Value Units Method Reference Comment
Deltar14.4kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Deltar14.2kcal/molPHPMSHiraoka, Morise, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar25.5cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
Deltar23.8cal/mol*KPHPMSHiraoka, Morise, et al., 1986gas phase; M

(C3H9O+ bullet 31-Propanol) + 1-Propanol = (C3H9O+ bullet 41-Propanol)

By formula: (C3H9O+ bullet 3C3H8O) + C3H8O = (C3H9O+ bullet 4C3H8O)

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

Quantity Value Units Method Reference Comment
Deltar11.9kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Deltar11.7kcal/molPHPMSHiraoka, Morise, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar24.8cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
Deltar23.0cal/mol*KPHPMSHiraoka, Morise, et al., 1986gas phase; M

(C3H9O+ bullet 41-Propanol) + 1-Propanol = (C3H9O+ bullet 51-Propanol)

By formula: (C3H9O+ bullet 4C3H8O) + C3H8O = (C3H9O+ bullet 5C3H8O)

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

Quantity Value Units Method Reference Comment
Deltar10.9kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Quantity Value Units Method Reference Comment
Deltar25.4cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M

(C3H9O+ bullet 51-Propanol) + 1-Propanol = (C3H9O+ bullet 61-Propanol)

By formula: (C3H9O+ bullet 5C3H8O) + C3H8O = (C3H9O+ bullet 6C3H8O)

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

Quantity Value Units Method Reference Comment
Deltar11.1kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Quantity Value Units Method Reference Comment
Deltar28.8cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M

(C3H9O+ bullet 61-Propanol) + 1-Propanol = (C3H9O+ bullet 71-Propanol)

By formula: (C3H9O+ bullet 6C3H8O) + C3H8O = (C3H9O+ bullet 7C3H8O)

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

Quantity Value Units Method Reference Comment
Deltar10.9kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Quantity Value Units Method Reference Comment
Deltar30.5cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M

(C3H9O+ bullet 71-Propanol) + 1-Propanol = (C3H9O+ bullet 81-Propanol)

By formula: (C3H9O+ bullet 7C3H8O) + C3H8O = (C3H9O+ bullet 8C3H8O)

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

Quantity Value Units Method Reference Comment
Deltar11.kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar30.cal/mol*KN/AMeot-Ner (Mautner), 1992gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
4.1215.PHPMSMeot-Ner (Mautner), 1992gas phase; Entropy change calculated or estimated; M

C3H9Si+ + 1-Propanol = (C3H9Si+ bullet 1-Propanol)

By formula: C3H9Si+ + C3H8O = (C3H9Si+ bullet C3H8O)

Quantity Value Units Method Reference Comment
Deltar43.3kcal/molPHPMSWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder((CH3)3Si+))H2O, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar30.8cal/mol*KN/AWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder((CH3)3Si+))H2O, Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
28.9468.PHPMSWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder((CH3)3Si+))H2O, Entropy change calculated or estimated; M

C3H9Sn+ + 1-Propanol = (C3H9Sn+ bullet 1-Propanol)

By formula: C3H9Sn+ + C3H8O = (C3H9Sn+ bullet C3H8O)

Quantity Value Units Method Reference Comment
Deltar35.5kcal/molPHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar32.cal/mol*KN/AStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
18.7525.PHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

C4H9O- + 1-Propanol = (C4H9O- bullet 1-Propanol)

By formula: C4H9O- + C3H8O = (C4H9O- bullet C3H8O)

Quantity Value Units Method Reference Comment
Deltar27.3 ± 2.9kcal/molN/ACaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M
Quantity Value Units Method Reference Comment
Deltar29.3cal/mol*KN/ACaldwell, Rozeboom, et al., 1984gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M
Quantity Value Units Method Reference Comment
Deltar18.6 ± 2.0kcal/molIMRECaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M

C4H11O+ + 1-Propanol = (C4H11O+ bullet 1-Propanol)

By formula: C4H11O+ + C3H8O = (C4H11O+ bullet C3H8O)

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

Quantity Value Units Method Reference Comment
Deltar31.7kcal/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar29.2cal/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar23.0kcal/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

C5H11O- + 1-Propanol = (C5H11O- bullet 1-Propanol)

By formula: C5H11O- + C3H8O = (C5H11O- bullet C3H8O)

Quantity Value Units Method Reference Comment
Deltar26.9 ± 2.9kcal/molN/ACaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Deltar18.2 ± 2.0kcal/molIMRECaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B

thiophenoxide anion + 1-Propanol = (thiophenoxide anion bullet 1-Propanol)

By formula: C6H5S- + C3H8O = (C6H5S- bullet C3H8O)

Quantity Value Units Method Reference Comment
Deltar15.0kcal/molPHPMSSieck and Meot-ner, 1989gas phase; M
Quantity Value Units Method Reference Comment
Deltar26.0cal/mol*KPHPMSSieck and Meot-ner, 1989gas phase; M

C8H5- + 1-Propanol = (C8H5- bullet 1-Propanol)

By formula: C8H5- + C3H8O = (C8H5- bullet C3H8O)

Quantity Value Units Method Reference Comment
Deltar22.5 ± 2.9kcal/molN/ACaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M
Quantity Value Units Method Reference Comment
Deltar29.3cal/mol*KN/ACaldwell, Rozeboom, et al., 1984gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M
Quantity Value Units Method Reference Comment
Deltar13.8 ± 2.0kcal/molIMRECaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M

Chlorine anion + 1-Propanol = (Chlorine anion bullet 1-Propanol)

By formula: Cl- + C3H8O = (Cl- bullet C3H8O)

Quantity Value Units Method Reference Comment
Deltar20.40 ± 0.50kcal/molTDAsHiraoka, 1987gas phase; B,B,M
Deltar17.7 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar29.0cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Deltar23.2cal/mol*KN/ALarson and McMahon, 1984gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M
Quantity Value Units Method Reference Comment
Deltar11.70kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B
Deltar11.7 ± 2.0kcal/molTDAsHiraoka, 1987gas phase; B
Deltar10.8 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M

(Chlorine anion bullet 1-Propanol) + 1-Propanol = (Chlorine anion bullet 21-Propanol)

By formula: (Cl- bullet C3H8O) + C3H8O = (Cl- bullet 2C3H8O)

Quantity Value Units Method Reference Comment
Deltar15.8 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar25.4cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar8.2 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion bullet 21-Propanol) + 1-Propanol = (Chlorine anion bullet 31-Propanol)

By formula: (Cl- bullet 2C3H8O) + C3H8O = (Cl- bullet 3C3H8O)

Quantity Value Units Method Reference Comment
Deltar14.2 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar31.2cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar4.8 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion bullet 31-Propanol) + 1-Propanol = (Chlorine anion bullet 41-Propanol)

By formula: (Cl- bullet 3C3H8O) + C3H8O = (Cl- bullet 4C3H8O)

Quantity Value Units Method Reference Comment
Deltar13.3 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar32.1cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar3.7 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion bullet 41-Propanol) + 1-Propanol = (Chlorine anion bullet 51-Propanol)

By formula: (Cl- bullet 4C3H8O) + C3H8O = (Cl- bullet 5C3H8O)

Quantity Value Units Method Reference Comment
Deltar12.6 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar32.9cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar2.7 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion bullet 51-Propanol) + 1-Propanol = (Chlorine anion bullet 61-Propanol)

By formula: (Cl- bullet 5C3H8O) + C3H8O = (Cl- bullet 6C3H8O)

Quantity Value Units Method Reference Comment
Deltar11.6 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar31.0cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar2.3 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion bullet 61-Propanol) + 1-Propanol = (Chlorine anion bullet 71-Propanol)

By formula: (Cl- bullet 6C3H8O) + C3H8O = (Cl- bullet 7C3H8O)

Quantity Value Units Method Reference Comment
Deltar11.0 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar30.2cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar1.9 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion bullet 71-Propanol) + 1-Propanol = (Chlorine anion bullet 81-Propanol)

By formula: (Cl- bullet 7C3H8O) + C3H8O = (Cl- bullet 8C3H8O)

Quantity Value Units Method Reference Comment
Deltar10.8 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B,M
Quantity Value Units Method Reference Comment
Deltar30.cal/mol*KN/AHiraoka and Mizuse, 1987gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar1.8 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B

Fluorine anion + 1-Propanol = C3H7D8FO-

By formula: F- + C3H8O = C3H7D8FO-

Quantity Value Units Method Reference Comment
Deltar24.3 ± 2.0kcal/molIMREWilkinson, Szulejko, et al., 1992gas phase; Reported relative to ROH..F-, 0.5 kcal/mol weaker.; B

Fluorine anion + 1-Propanol = (Fluorine anion bullet 1-Propanol)

By formula: F- + C3H8O = (F- bullet C3H8O)

Quantity Value Units Method Reference Comment
Deltar32.3 ± 2.0kcal/molIMRELarson and McMahon, 1983gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar25.4cal/mol*KN/ALarson and McMahon, 1983gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Quantity Value Units Method Reference Comment
Deltar24.7 ± 2.0kcal/molIMRELarson and McMahon, 1983gas phase; B,M

Lithium ion (1+) + 1-Propanol = (Lithium ion (1+) bullet 1-Propanol)

By formula: Li+ + C3H8O = (Li+ bullet C3H8O)

Quantity Value Units Method Reference Comment
Deltar40.9 ± 1.9kcal/molCIDTRodgers and Armentrout, 2000RCD

Magnesium ion (1+) + 1-Propanol = (Magnesium ion (1+) bullet 1-Propanol)

By formula: Mg+ + C3H8O = (Mg+ bullet C3H8O)

Quantity Value Units Method Reference Comment
Deltar64. ± 5.kcal/molICROperti, Tews, et al., 1988gas phase; switching reaction,Thermochemical ladder(Mg+)CH3OH; M

Sodium ion (1+) + 1-Propanol = (Sodium ion (1+) bullet 1-Propanol)

By formula: Na+ + C3H8O = (Na+ bullet C3H8O)

Quantity Value Units Method Reference Comment
Deltar25.8 ± 1.0kcal/molCIDTArmentrout and Rodgers, 2000RCD
Deltar25.8 ± 1.0kcal/molCIDTRodgers and Armentrout, 1999RCD

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
0.00.CIDTRodgers and Armentrout, 1999RCD

IR Spectrum

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, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, References, Notes

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, 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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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 113122

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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

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryHP-10.561.2Wang, Liu, et al., 200530. m/0.25 mm/0.25 «mu»m
CapillaryHP-110.561.4Wang, Liu, et al., 200530. m/0.25 mm/0.25 «mu»m
CapillaryHP-120.559.3Wang, Liu, et al., 200530. m/0.25 mm/0.25 «mu»m
CapillaryHP-130.558.2Wang, Liu, et al., 200530. m/0.25 mm/0.25 «mu»m
CapillaryHP-140.549.7Wang, Liu, et al., 200530. m/0.25 mm/0.25 «mu»m
CapillaryHP-150.543.7Wang, Liu, et al., 200530. m/0.25 mm/0.25 «mu»m
CapillaryHP-160.536.9Wang, Liu, et al., 200530. m/0.25 mm/0.25 «mu»m
PackedPMS-100090.521.Arutyunov, Kudryashov, et al., 2004N2, Chromaton N-AW-DMCS; Column length: 2. m
CapillarySE-30100.544.6Golovnya, Kuz'menko, et al., 200025. m/0.32 mm/1. «mu»m, He
CapillarySE-30110.542.3Golovnya, Kuz'menko, et al., 200025. m/0.32 mm/1. «mu»m, He
CapillarySE-30120.540.5Golovnya, Kuz'menko, et al., 200025. m/0.32 mm/1. «mu»m, He
CapillarySE-30130.541.5Golovnya, Kuz'menko, et al., 200025. m/0.32 mm/1. «mu»m, He
CapillarySE-3048.556.5Golovnya, Kuz'menko, et al., 200025. m/0.32 mm/1. «mu»m, He
CapillarySE-3058.553.6Golovnya, Kuz'menko, et al., 200025. m/0.32 mm/1. «mu»m, He
CapillarySE-3066.551.4Golovnya, Kuz'menko, et al., 200025. m/0.32 mm/1. «mu»m, He
CapillarySE-30100.544.6Golovnya, Kuz'menko, et al., 2000, 225. m/0.32 mm/1. «mu»m, He
CapillarySE-30110.542.3Golovnya, Kuz'menko, et al., 2000, 225. m/0.32 mm/1. «mu»m, He
CapillarySE-30120.540.5Golovnya, Kuz'menko, et al., 2000, 225. m/0.32 mm/1. «mu»m, He
CapillarySE-30130.541.5Golovnya, Kuz'menko, et al., 2000, 225. m/0.32 mm/1. «mu»m, He
CapillarySE-3048.556.5Golovnya, Kuz'menko, et al., 2000, 225. m/0.32 mm/1. «mu»m, He
CapillarySE-3058.553.5Golovnya, Kuz'menko, et al., 2000, 225. m/0.32 mm/1. «mu»m, He
CapillarySE-3066.551.4Golovnya, Kuz'menko, et al., 2000, 225. m/0.32 mm/1. «mu»m, He
CapillarySE-30100.565.Haken and Korhonen, 1985Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30120.575.Haken and Korhonen, 1985Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-3080.546.Haken and Korhonen, 1985Column length: 25. m; Column diameter: 0.33 mm
PackedSE-30150.555.Tiess, 1984Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m
PackedSE-30100.530.Winskowski, 1983Gaschrom Q; Column length: 2. m
PackedSqualane100.539.9Gröbler and Bálizs, 1979Column length: 1. m
PackedSE-30150.530.Haken, Nguyen, et al., 1979Celatom AW silanized; Column length: 3.7 m
PackedSE-30100.544.Pías and Gascó, 1975Ar, Chromosorb W AW DMCS HP (80-100 mesh); Column length: 1. m
PackedApiezon L100.525.Wagaman and Smith, 1971CH4; Column length: 3. m
PackedSE-30100.562.Zarazir, Chovin, et al., 1970Chromosorb W; Column length: 2. m
PackedDC-200120.520.Reymond, Mueggler-Chavan, et al., 1966Celite; Column length: 4. m
PackedDC-200100.547.Rohrschneider, 1966Column length: 4. m
PackedApiezon L100.523.Rohrschneider, 1966Column length: 5. m

Kovats' RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillarySE-54574.Rembold, Wallner, et al., 198930. m/0.25 mm/0.25 «mu»m, He, 0. C @ 12. min, 12. K/min; Tend: 250. C

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

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Column type Active phase I Reference Comment
CapillaryPetrocol DH-100561.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)

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillarySupelcowax-1060.1046.Castello, Vezzani, et al., 1991N2; Column length: 60. m; Column diameter: 0.75 mm
CapillaryOV-351100.1037.Haken and Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351120.1031.Haken and Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-35180.1024.Haken and Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
PackedCarbowax 20M100.1037.6Vernon and Suratman, 1983He; Column length: 2. m
PackedCarbowax 20M100.1046.9Vernon and Suratman, 1983He; Column length: 2. m
PackedCarbowax 20M100.1051.7Vernon and Suratman, 1983He; Column length: 2. m
PackedCarbowax 20M100.1054.9Vernon and Suratman, 1983He; Column length: 2. m
PackedCarbowax 20M75.1072.Goebel, 1982N2, Kieselgur (60-100 mesh); Column length: 2. m
PackedCarbowax 20M100.988.Kevei and Kozma, 1976Chromosorb
PackedPEG-2000120.1000.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000150.997.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000152.1040.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000179.1035.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000180.993.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000200.1031.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedCarbowax 20M100.1030.Zarazir, Chovin, et al., 1970Chromosorb W; Column length: 2. m
PackedPolyethylene Glycol 4000100.1046.Bonastre and Grenier, 1968Chromosorb P; Column length: 6. m
PackedPolyethylene Glycol 4000120.1036.Bonastre and Grenier, 1968Chromosorb P; Column length: 6. m
PackedPolyethylene Glycol 4000140.1026.Bonastre and Grenier, 1968Chromosorb P; Column length: 6. m
PackedPolyethylene Glycol 400080.1056.Bonastre and Grenier, 1968Chromosorb P; Column length: 6. m
PackedCarbowax 20M100.1021.Rohrschneider, 1966Column length: 2. m

Kovats' RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryPEG-20M1014.Slizhov and Gavrilenko, 2001He; Column length: 10. m; Column diameter: 0.2 mm; Program: not specified
PackedCarbowax 20M993.Kevei and Kozma, 1976Chromosorb; Program: not specified

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

View large format table.

Column type Active phase I Reference Comment
CapillarySPB-5555.Engel and Ratel, 200760. m/0.32 mm/1. «mu»m, 40. C @ 2. min, 3. K/min, 230. C @ 10. min
CapillaryDB-5595.Bylaite and Meyer, 200630. m/0.25 mm/1. «mu»m, 50. C @ 1. min, 10. K/min, 290. C @ 10. min
CapillaryCP-Sil 8CB-MS551.Elmore, Cooper, et al., 20050. m/0.25 mm/0.25 «mu»m, He, 40. C @ 2. min, 4. K/min, 280. C @ 5. min
CapillaryHP-5MS568.Pino, Mesa, et al., 200530. m/0.25 mm/0.25 «mu»m, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min
CapillaryCP-Sil 8CB-MS560.Hierro, de la Hoz, et al., 200460. m/0.25 mm/0.25 «mu»m, 40. C @ 2. min, 4. K/min, 280. C @ 5. min
CapillarySPB-5568.Pino, Marbot, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min
CapillarySPB-5568.Pino, Marbot, et al., 200230. m/0.25 mm/0.25 «mu»m, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min
CapillaryCP Sil 5 CB524.Pino, Marbot, et al., 2002, 230. m/0.25 mm/0.25 «mu»m, H2, 60. C @ 10. min, 2. K/min, 280. C @ 40. min
CapillaryCP-Sil 8CB-MS521.Bruna, Hierro, et al., 200160. m/0.25 mm/0.25 «mu»m, 40. C @ 2. min, 4. K/min; Tend: 280. C
CapillarySE-30551.Golovnya, Samusenko, et al., 200125. m/0.32 mm/1. «mu»m, He, 2. K/min; Tstart: 60. C
CapillarySE-30555.Golovnya, Samusenko, et al., 200125. m/0.32 mm/1. «mu»m, He, 4. K/min; Tstart: 60. C
CapillarySE-30557.Golovnya, Samusenko, et al., 200125. m/0.32 mm/1. «mu»m, He, 6. K/min; Tstart: 60. C
CapillarySE-30556.Golovnya, Samusenko, et al., 200125. m/0.32 mm/1. «mu»m, He, 8. K/min; Tstart: 60. C
CapillarySPB-1537.Larráyoz, Addis, et al., 200130. m/0.32 mm/4. «mu»m, He, 45. C @ 13. min, 5. K/min, 240. C @ 5. min
CapillarySE-30540.2Golovnya, Kuz'menko, et al., 200025. m/0.32 mm/1. «mu»m, He, 4. K/min; Tstart: 60. C
CapillarySE-30540.2Golovnya, Kuz'menko, et al., 2000, 225. m/0.32 mm/1. «mu»m, He, 4. K/min; Tstart: 60. C
CapillaryDB-1546.Bartelt, 199730. m/0.32 mm/5. «mu»m, He, 35. C @ 1. min, 10. K/min; Tend: 270. C
CapillaryDB-1552.Peng, 199215. m/0.53 mm/1. «mu»m, 40. C @ 4. min, 8. K/min; Tend: 250. 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-5MS532.Bonaiti, Irlinger, et al., 200530. m/0.25 mm/0.25 «mu»m, He; Program: 5C(8min) => 3C/min => 20C => 10C/min => 150C(10min)
CapillaryMethyl Silicone552.Peng, Yang, et al., 1991Program: not specified
PackedSE-30552.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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-Innowax1037.Quijano, Linares, et al., 200760. m/0.25 mm/0.25 «mu»m, He, 50. C @ 4. min, 4. K/min, 220. C @ 10. min
CapillaryZB-Wax1030.Wu, Zorn, et al., 200730. m/0.32 mm/0.25 «mu»m, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryZB-Wax1043.Wu, Zorn, et al., 200730. m/0.32 mm/0.25 «mu»m, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryOV-3511005.Bonvehí, 200550. m/0.32 mm/0.2 «mu»m, He, 5. K/min; Tstart: 60. C; Tend: 220. C
CapillarySupelcowax-101002.Chung, Fung, et al., 200560. m/0.25 mm/0.25 «mu»m, 35. C @ 5. min, 6. K/min, 195. C @ 60. min
CapillaryStabilwax1025.Cros, Lignot, et al., 200560. m/0.25 mm/0.25 «mu»m, He, 40. C @ 5. min, 3. K/min, 240. C @ 10. min
CapillarySupelcowax-101037.Elmore, Nisyrios, et al., 200560. m/0.25 mm/0.25 «mu»m, He, 40. C @ 2. min, 4. K/min; Tend: 280. C
CapillaryStabilwax1060.Fang and Qian, 200530. m/0.32 mm/1. «mu»m, N2, 40. C @ 2. min, 4. K/min, 230. C @ 10. min
CapillaryDB-Wax1061.Malliaa, Fernandez-Garcia, et al., 200560. m/0.32 mm/1. «mu»m, He, 45. C @ 1. min, 5. K/min, 250. C @ 12. min
CapillaryZB-Wax1030.Ledauphin, Saint-Clair, et al., 200430. m/0.25 mm/0.15 «mu»m, He, 35. C @ 10. min, 1.8 K/min, 220. C @ 10. min
CapillaryDB-Wax1049.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-Wax1049.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
CapillaryStabilwax1025.Cros, Vandanjon, et al., 200360. m/0.25 mm/0.25 «mu»m, He, 40. C @ 5. min, 3. K/min, 240. C @ 10. min
CapillaryAT-Wax1015.Pino, Almora, et al., 200360. m/0.32 mm/0.25 «mu»m, He, 65. C @ 10. min, 2. K/min, 250. C @ 60. min
CapillarySupelcowax-101038.Chung, Yung, et al., 200260. m/0.25 mm/0.25 «mu»m, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min
CapillaryAT-Wax1026.Pino, Marbot, et al., 2002, 360. m/0.32 mm/0.25 «mu»m, He, 65. C @ 10. min, 2. K/min, 250. C @ 60. min
CapillaryEC-WAX1045.le Guen, Prost, et al., 200130. m/0.32 mm/0.5 «mu»m, He, 40. C @ 2. min, 5. K/min, 250. C @ 10. min
CapillarySupelcowax-101041.Chung, 200060. m/0.25 mm/0.25 «mu»m, He, 2. K/min, 195. C @ 90. min; Tstart: 35. C
CapillaryDB-Wax1052.le Guen, Prost, et al., 200060. m/0.32 mm/0.5 «mu»m, He, 40. C @ 5. min, 3. K/min, 250. C @ 10. min
CapillaryDB-Wax1040.Le Guen, Prost, et al., 200060. m/0.32 mm/0.5 «mu»m, He, 40. C @ 2. min, 4. K/min, 250. C @ 10. min
CapillaryDB-Wax1045.Le Guen, Prost, et al., 200060. m/0.32 mm/0.5 «mu»m, He, 40. C @ 2. min, 4. K/min, 250. C @ 10. min
CapillaryHP-Wax1073.Peng, 200015. m/0.53 mm/1. «mu»m, He, 40. C @ 3. min, 5. K/min, 220. C @ 30. min
CapillarySupelcowax-101041.Chung, 199960. m/0.25 mm/0.25 «mu»m, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min
CapillaryDB-Wax1038.Cha, Kim, et al., 199860. m/0.25 mm/0.25 «mu»m, 40. C @ 5. min, 3. K/min, 200. C @ 60. min
CapillaryDB-Wax1038.Cha, Kim, et al., 199830. m/0.32 mm/0.25 «mu»m, He, 40. C @ 5. min, 6. K/min, 200. C @ 30. min
CapillaryFFAP1064.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-Wax1049.Shimoda, Peralta, et al., 199660. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 50. C; Tend: 230. C
CapillaryCarbowax 20M1025.Peng, 19928. K/min, 200. C @ 60. min; Column length: 3.05 m; Tstart: 40. C
PackedCarbowax 20M1025.Peng, Yang, et al., 1991Supelcoport, 40. C @ 4. min, 8. K/min; Column length: 3.05 m; Tend: 200. C
CapillaryDB-Wax1031.Frohlich and Schreier, 199030. m/0.32 mm/0.25 «mu»m, He, 40. C @ 3. min, 5. K/min; Tend: 220. C

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

View large format table.

Column type Active phase I Reference Comment
CapillarySupelcowax-101052.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-101052.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-101051.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-101052.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-101052.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)
CapillaryDB-Wax1037.Selli, Canbas, et al., 200630. m/0.32 mm/0.5 «mu»m, H2; Program: 60C(3min) => 2C/min => 220C => 3C/min => 245C (20min)
CapillaryDB-Wax1029.Ferrari, Lablanquie, et al., 200460. m/0.25 mm/0.25 «mu»m, He; Program: 35C(0.7min) => 20C/min => 70C => 4C/min => 240C
CapillarySupelcowax-101041.da Porto, Pizzale, et al., 200330. m/0.32 mm/0.3 «mu»m; Program: 60C(8min) => 8C/min => 170C => 13C/min => 240C(20min)
CapillaryDB-Wax1032.Sérot, Regost, et al., 200230. m/0.32 mm/0.5 «mu»m, He; Program: 50C => 5C/min => 180C => 10C/min => 250C
CapillaryDB-Wax1034.Sérot, Regost, et al., 200130. m/0.32 mm/0.5 «mu»m, He; Program: 50C => 5C/min => 180C => 10C/min => 250C
CapillaryFFAP1031.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
CapillaryMethyl Silicone100.536.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryMethyl Silicone120.533.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryMethyl Silicone140.530.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryMethyl Silicone80.537.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
PackedSE-30100.544.Zhou and Wu, 2007Column length: 1. m
PackedDC-400150.535.Anderson, 1968Helium, Gas-Pak (60-80 mesh); Column length: 3.0 m
PackedSqualane125.507.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
CapillaryPolydimethyl siloxane: CP-Sil 5 CB557.Bramston-Cook, 201360. m/0.25 mm/1.0 «mu»m, Helium, 45. C @ 1.45 min, 3.6 K/min, 210. C @ 2.72 min
CapillaryPetrocol DH561.Supelco, 2012100. m/0.25 mm/0.50 «mu»m, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min
CapillaryVF-5 MS549.Leffingwell and Alford, 201160. m/0.32 mm/0.25 «mu»m, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C
CapillaryVF-5 MS553.Leffingwell and Alford, 201160. m/0.32 mm/0.25 «mu»m, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C
CapillaryDB-5 MS536.Majcher, Lawrowski, et al., 201025. m/0.20 mm/0.33 «mu»m, Helium, 40. C @ 1. min, 10. K/min; Tend: 250. C
CapillaryRTX-5559.Berdague, Tournayre, et al., 200760. m/0.32 mm/1. «mu»m, 40. C @ 5. min, 4. K/min, 205. C @ 5. min
CapillarySPB-5559.Vasta, Ratel, et al., 200760. m/0.32 mm/1. «mu»m, 40. C @ 5. min, 3. K/min, 230. C @ 5. min
CapillarySPB-5559.Vasta, Ratel, et al., 200760. m/0.32 mm/1. «mu»m, 40. C @ 5. min, 3. K/min, 230. C @ 5. min
CapillaryHP-5548.Isidorov, Purzynska, et al., 200630. m/0.25 mm/0.25 «mu»m, He, 35. C @ 5. min, 3. K/min; Tend: 200. C
CapillaryHP-5557.9Leffingwell and Alford, 200560. m/0.32 mm/0.25 «mu»m, He, 30. C @ 2. min, 2. K/min, 260. C @ 28. min
CapillarySPB-5568.Pino, Marbot, et al., 200530. m/0.25 mm/0.25 «mu»m, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min
CapillaryDB-5568.Pino, Marbot, et al., 2003, 230. m/0.25 mm/0.25 «mu»m, H2, 60. C @ 10. min, 4. K/min, 280. C @ 40. min
CapillarySPB-5568.Pino, Marbot, et al., 2002, 430. m/0.25 mm/0.25 «mu»m, Helium, 60. C @ 2. min, 4. K/min, 250. C @ 20. min
CapillaryDB-5554.Joffraud, Leroi, et al., 200160. m/0.32 mm/1. «mu»m, He, 40. C @ 5. min, 3. K/min; Tend: 200. C
CapillaryAT-1553.Kelling, 2001He, 50. C @ 2. min, 10. K/min; Tend: 300. C
CapillaryRSL-200560.Ngassoum, Jirovetz, et al., 200130. m/0.32 mm/0.25 «mu»m, H2, 40. C @ 5. min, 6. K/min, 280. C @ 5. min
CapillaryBP-1539.Health Safety Executive, 200050. m/0.22 mm/0.75 «mu»m, He, 5. K/min; Tstart: 50. C; Tend: 200. C
CapillaryMethyl Silicone538.64Baraldi, Rapparini, et al., 199960. m/0.25 mm/0.25 «mu»m, 40. C @ 10. min, 5. K/min; Tend: 220. C
CapillaryDB-5521.Shimoda, Shibamoto, et al., 199360. m/0.25 mm/0.25 «mu»m, He, 40. C @ 2. min, 3. K/min; Tend: 200. C
CapillaryOV-101535.Anker, Jurs, et al., 19902. K/min; Column length: 50. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C
CapillaryDB-1548.Habu, Flath, et al., 19853. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 0. C; Tend: 250. C
CapillaryOV-101561.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
CapillarySP 2100555.Labropoulos, Palmer, et al., 1982Helium, 10. K/min; Column length: 40. m; Column diameter: 0.20 mm; Tstart: 40. C; Tend: 200. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5568.Rotsatschakul, Visesanguan, et al., 200960. m/0.25 mm/0.25 «mu»m, Helium; Program: 30 0C (2 min) 2 0Cmin -> 60 0C 10 0C/min -> 100 0C 20 0C/min -> 140 0C 10 0C/min -> 200 0C (10 min)
CapillaryHP-5547.Ventanas, Estevez, et al., 200850. m/0.32 mm/1.05 «mu»m, Helium; Program: 40 0C (10 min) 5 0C/min -> 200 0C 15 0C/min -> 250 0C (10 min)
CapillaryMethyl Silicone544.Chen and Feng, 2007Program: not specified
CapillaryVB-5548.Karlshøj, Nielsen, et al., 200760. m/0.25 mm/1. «mu»m, He; Program: 35C(1min) => 4C/min => 175C => 10C/min => 260C
CapillaryMethyl Silicone544.Kou, Zhang, et al., 2006Program: not specified
CapillaryMethyl Silicone557.Blunden, Aneja, et al., 200560. m/0.32 mm/1.0 «mu»m, Helium; Program: -50 0C (2 min) 8 0C/min -> 200 0C (7.75 min) 25 0C -> 225 0C (8 min)
CapillaryPolydimethyl siloxane with 5 % Ph groups558.Pino, Marbot, et al., 2005, 2Program: not specified
CapillaryHP-5551.Thierry, Maillard, et al., 200560. m/0.32 mm/1. «mu»m; Program: not specified
CapillaryMethyl Silicone544.Fu and Wang, 2004Program: not specified
CapillaryHP-5548.Garcia-Estaban, Ansorena, et al., 200450. m/0.32 mm/1.05 «mu»m; Program: 40C(10min) => 5C/min => 200C => 20C/min => 250C(5min)
CapillaryDB-5548.Garcia-Estaban, Ansorena, et al., 2004, 250. m/0.32 mm/1.05 «mu»m; Program: 40C(10min) => 5C/min => 200C => 20C/min => 250C (5min)
CapillarySE-30535.Vinogradov, 2004Program: not specified
CapillaryMethyl Silicone570.N/AProgram: not specified
CapillaryBPX-5560.van Ruth, Grossmann, et al., 200160. m/0.32 mm/1. «mu»m, He; Program: -30C(1min) => 100C/min => 40C(4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250C
CapillarySPB-1539.Flanagan, Streete, et al., 199760. m/0.53 mm/5. «mu»m, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
CapillaryDB-5560.Mateo and Zumalacárregui, 199650. m/0.32 mm/0.25 «mu»m, He; Program: 40C (10min) => 3C/min => 95C => 10C/min => 270C (10min)
CapillaryDB-5562.Mateo and Zumalacárregui, 199650. m/0.32 mm/0.25 «mu»m, He; Program: 40C (10min) => 3C/min => 95C => 10C/min => 270C (10min)
CapillaryPolydimethyl siloxanes543.Zenkevich and Chupalov, 1996Program: not specified
CapillaryDB-1546.Ciccioli, Cecinato, et al., 199460. m/0.32 mm/0.25 «mu»m; Program: not specified
CapillaryDB-1546.Ciccioli, Brancaleoni, et al., 199360. m/0.32 mm/0.25 «mu»m; Program: 3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/min
CapillarySPB-1539.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
CapillarySPB-1571.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 «mu»m, Helium; Program: not specified
CapillaryDB-1534.Binder, Flath, et al., 1989Column length: 60. m; Column diameter: 0.32 mm; Program: not specified
CapillaryCP Sil 8 CB555.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-101535.Shibamoto, 1987Program: not specified
CapillarySF96+Igepal581.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-1571.Ramsey and Flanagan, 1982Program: not specified
CapillarySE-30572.Heydanek and McGorrin, 1981He; Column length: 50. m; Column diameter: 0.5 mm; Program: -10C (8min) => 12C/min => 26C => 3C/min => 170C (30min)

Normal alkane RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryCarbowax 20M100.1033.Sun, Siepmann, et al., 200630. m/0.25 mm/0.25 «mu»m, Helium
CapillaryCarbowax 20M120.1028.Sun, Siepmann, et al., 200630. m/0.25 mm/0.25 «mu»m, Helium
CapillaryCarbowax 20M140.1023.Sun, Siepmann, et al., 200630. m/0.25 mm/0.25 «mu»m, Helium
CapillaryCarbowax 20M60.1040.Sun, Siepmann, et al., 200630. m/0.25 mm/0.25 «mu»m, Helium
CapillaryCarbowax 20M80.1037.Sun, Siepmann, et al., 200630. m/0.25 mm/0.25 «mu»m, Helium

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-FFAP1045.Wanakhachornkrai and Lertsiri, 999925. m/0.32 mm/0.50 «mu»m, Helium, 15. K/min; Tstart: 45. C; Tend: 220. C
CapillaryDB-Wax1034.Zhao, Xu, et al., 200930. m/0.25 mm/0.25 «mu»m, Helium, 40. C @ 2. min, 3. K/min, 230. C @ 5. min
CapillaryStabilwax1025.Cros, Vandanjon, et al., 200760. m/0.25 mm/0.25 «mu»m, Helium, 40. C @ 5. min, 3. K/min, 240. C @ 10. min
CapillaryDB-Wax1035.Fan and Qian, 200630. m/0.32 mm/0.25 «mu»m, He, 40. C @ 2. min, 4. K/min, 230. C @ 15. min
CapillaryDB-Wax1002.Rizzolo, Cambiaghi, et al., 200560. m/0.53 mm/1. «mu»m, 50. C @ 10. min, 3. K/min; Tend: 180. C
CapillaryZB-Wax1030.N/A30. m/0.32 mm/0.25 «mu»m, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryZB-Wax1030.N/A30. m/0.32 mm/0.25 «mu»m, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryZB-Wax1043.N/A30. m/0.32 mm/0.25 «mu»m, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryDB-Wax1037.Chida, Sone, et al., 200460. m/0.25 mm/0.5 «mu»m, 35. C @ 5. min, 4. K/min, 240. C @ 10. min
CapillaryPEG-20M1029.Narain, Almeida, et al., 200450. m/0.20 mm/0.20 «mu»m, 40. C @ 5. min, 3. K/min, 180. C @ 30. min
CapillaryStabilwax1025.Cros, Vandanjon, et al., 2003, 260. m/0.25 mm/0.25 «mu»m, Helium, 40. C @ 5. min, 3. K/min, 240. C @ 10. min
CapillaryDB-Wax1040.Dregus and Engel, 200360. m/0.32 mm/0.25 «mu»m, H2, 40. C @ 5. min, 4. K/min, 230. C @ 25. min
CapillaryDB-Wax1038.Lee and Noble, 200330. m/0.25 mm/0.25 «mu»m, He, 40. C @ 4. min, 4. K/min, 185. C @ 20. min
CapillaryHP-FFAP1045.Wanakhachornkrai and Lertsiri, 200325. m/0.32 mm/0.5 «mu»m, He, 15. K/min; Tstart: 45. C; Tend: 220. C
CapillaryHP-FFAP1006.Qian and Reineccius, 200225. m/0.32 mm/0.52 «mu»m, 60. C @ 1. min, 5. K/min, 240. C @ 5. min
CapillaryTC-Wax1038.Suhardi, Suzuki, et al., 200260. m/0.25 mm/0.25 «mu»m, He, 40. C @ 10. min, 3. K/min, 230. C @ 10. min
CapillaryDB-Wax1032.Wei, Mura, et al., 200160. m/0.25 mm/0.25 «mu»m, He, 2. K/min; Tstart: 40. C; Tend: 200. C
CapillaryCP-Wax 52CB1002.Hwan and Chou, 199950. m/0.32 mm/0.22 «mu»m, H2, 60. C @ 4. min, 2. K/min, 190. C @ 21. min
CapillarySupelcowax-101069.Campeanu, Burcea, et al., 199860. m/0.32 mm/0.5 «mu»m, H2, 35. C @ 5. min, 5. K/min, 250. C @ 20. min
CapillaryDB-Wax1046.Wada and Shibamoto, 1997He, 3. K/min, 200. C @ 40. min; Column length: 60. m; Column diameter: 0.25 mm; Tstart: 50. C
CapillaryDB-Wax1049.Young, Gilbert, et al., 199630. m/0.32 mm/0.50 «mu»m, Hydrogen, 30. C @ 6. min, 3. K/min; Tend: 190. C
CapillarySupelcowax-101002.Girard and Lau, 199590. m/0.25 mm/0.25 «mu»m, He, 35. C @ 20. min, 2. K/min, 220. C @ 30. min
CapillaryDB-Wax1042.Kobayashi, Tsuda, et al., 1995He, 60. C @ 4. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 180. C
CapillaryPEG-20M1022.Kubota, Nakamoto, et al., 1991N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 180. C
CapillaryCarbowax 20M1002.Anker, Jurs, et al., 19902. K/min; Column length: 80. m; Column diameter: 0.2 mm; Tstart: 70. C; Tend: 170. C
CapillaryDB-Wax1030.Binder, Flath, et al., 198950. C @ 0.1 min, 4. K/min, 230. C @ 10. min; Column length: 60. m; Column diameter: 0.32 mm
CapillaryCarbowax 20M990.Mihara, Tateba, et al., 1988N2, 3. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C
CapillaryCarbowax 20M996.Mihara, Tateba, et al., 1988N2, 3. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C
CapillaryCarbowax 20M990.Mihara, Tateba, et al., 1987N2, 3. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C
CapillaryCarbowax 20M996.Mihara, Tateba, et al., 1987N2, 3. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C
CapillaryCarbowax 20M1042.Labropoulos, Palmer, et al., 1982Helium, 10. K/min; Column length: 31. m; Column diameter: 0.50 mm; Tstart: 40. C; Tend: 200. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryCarbowax 20M1040.Lee, Chong, et al., 2012Program: not specified
CapillaryDB-Wax1036.Welke, Manfroi, et al., 201230. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryDB-Wax1038.Welke, Manfroi, et al., 201230. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryHP-Innowax1045.Xiao, Dai, et al., 201160. m/0.25 mm/0.25 «mu»m, Helium; Program: 40 0C (2 min) 3 0C/min -> 150 0C 5 0C/min -> 220 0C (5 min)
CapillaryFFAP992.Ortiz, Echeverra, et al., 200950. m/0.20 mm/0.33 «mu»m, Helium; Program: 70 0C (1 min) 3 0C/min -> 142 0C 5 0C/min -> 225 0C (10 min)
CapillaryDB-Wax1030.Zhao, Xu, et al., 200930. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryDB-Wax1036.Li, Tao, et al., 200830. m/0.32 mm/0.25 «mu»m, Helium; Program: 40 0C (3 min) 4 0C/min -> 160 0C 7 0C/min -> 220 0C (8 min)
CapillaryBP-201086.Rodrigues, Caldera, et al., 200830. m/0.25 mm/0.25 «mu»m, Helium; Program: 40 0C (1 min) 2 0C/min -> 100 0C (2 min) 1.7 0C/min -> 180 0C (1 min) 25 0C/min -> 220 0C (10 min)
CapillaryDB-Wax1036.Tao, Wenlai, et al., 200830. m/0.32 mm/0.25 «mu»m, Helium; Program: 50 0C 20 0C/min -> 80 0C 3 0C/min -> 230 0C
CapillaryDB-Wax1036.Yongsheng, Hua, et al., 200830. m/0.32 mm/0.25 «mu»m, Helium; Program: 40 0C (4 min) 3 0C/min -> 50 0C 5 0C/min -> 120 0C 7 0C/min -> 175 0C 10 0C/min -> 230 0C (8 min)
CapillarySupelcowax-101051.Berard, Bianchi, et al., 200730. m/0.25 mm/0.25 «mu»m, He; Program: 35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min)
CapillarySupelcowax-101052.Berard, Bianchi, et al., 200730. m/0.25 mm/0.25 «mu»m, He; Program: 35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min)
CapillarySupelcowax-101046.Bosch-Fuste, Riu-Aumatell, et al., 200730. m/0.25 mm/0.25 «mu»m, He; Program: 40C(10min) => 2C/min => 200C(1min) => 2C/min => 250C (10min)
CapillaryFFAP1036.Lara, Echeverría, et al., 200750. m/0.2 mm/0.33 «mu»m, He; Program: 70C(1min) => 3C/min => 142C => 5C/min => 225C (10min)
CapillaryDB-Wax1036.Li, Tao, et al., 200730. m/0.32 mm/0.25 «mu»m, He; Program: 40C(3min) => 4C/min => 160C => 7C/min => 230C (8min)
CapillaryFFAP1036.Lopez, Villatoro, et al., 200750. m/0.2 mm/0.33 «mu»m, He; Program: 70C(1min) => 3C/min => 142C => 5C/min => 225C(10min)
CapillaryDB-Wax1032.Tian, Zhang, et al., 200730. m/0.25 mm/0.25 «mu»m, He; Program: 50 0C (2 min) 6 0C/min -> 150 0C 8 0C/min -> 230 0C (15 min)
CapillaryHP-Innowax1035.Quijano and Pino, 200660. m/0.25 mm/0.25 «mu»m, Nitrogen; Program: 50 0C (4 min) -> 40 0C 4 0C/min -> 220 0C
CapillaryDB-Wax1044.Mattheis, Fan, et al., 200560. m/0.25 mm/0.25 «mu»m, He; Program: 35C(5min) => 2C/min => 50C => 5C/min => 200C (5min)
CapillaryFFAP1036.Echeverría, Correa, et al., 200450. m/0.2 mm/0.33 «mu»m, He; Program: 70C(1min) => 3C/min => 142C => 5C/min => 225C(10min)
CapillaryDB-Wax1038.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
CapillaryCarbowax 20M1042.Vinogradov, 2004Program: not specified
CapillaryHP-FFAP1036.Echeverria, Fuentes, et al., 200350. m/0.2 mm/0.33 «mu»m, He; Program: 70C(1min) => 3C/min => 142C => 5C/min => 225C (10min)
CapillaryFFAP1042.Lopez, Lavilla, et al., 200050. m/0.2 mm/0.33 «mu»m, N2; Program: 70C(1min) => 3C/min => 142C(2min) => 25C/min => 230C(5min)
CapillaryCross-linked FFAP1042.Lavilla, Puy, et al., 199950. m/0.2 mm/0.33 «mu»m, N2; Program: 70C(1min) => 3C/min => 142C (2min) => 25C/min => 230C(5min)
CapillarySupelcowax-101047.Forney and Jordan, 199860. m/0.53 mm/1. «mu»m, He; Program: 40C (2min) => 16C/min => 120C => 15C/min => 240C(3min)
CapillaryFFAP1042.López, Lavilla, et al., 199850. m/0.2 mm/0.33 «mu»m, N2; Program: 70C (1min) => 3C/min => 142C (2min) => 25C/min => 230C (5min)
CapillaryDB-Wax1025.Peng, Yang, et al., 1991, 2Program: not specified
CapillaryDB-Wax1027.Peng, Yang, et al., 1991, 2Program: not specified
CapillaryDB-Wax1031.Binder, Flath, et al., 1989Column length: 60. m; Column diameter: 0.32 mm; Program: not specified
CapillaryCarbowax 20M1002.Shibamoto, 1987Program: not specified
CapillaryCarbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.1072.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryCarbowax 20M1033.Ramsey and Flanagan, 1982Program: 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.

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]

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

Counsell J.F., 1968
Counsell J.F., Thermodynamic properties of organic oxygen compounds. Part XIX. Low-temperature heat capacity and entropy of propan-1-ol, 2-methylpropan-1-ol, and pentan-1-ol, J. Chem. Soc. A, 1968, 1819-1823. [all data]

Green J.H.S., 1961
Green J.H.S., Thermodynamic properties of the normal alcohols C1-C12, J. Appl. Chem., 1961, 11, 397-404. [all data]

Chermin H.A.G., 1961
Chermin H.A.G., Thermo data for petrochemicals. Part 28. Gaseous normal alcohols. The important thermo properties are presented for all the gaseous normal alcohols from methanol through n-decanol, Petrol. Refiner, 1961, 40 (4), 127-130. [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]

Thermodynamics Research Center, 1997
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Mathews J.F., 1961
Mathews J.F., The thermodynamic properties of the n-propyl alcohol, J. Phys. Chem., 1961, 65, 758-762. [all data]

Chao J., 1986, 2
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Stromsoe E., Heat capacity of alcohol vapors at atmospheric pressure, J. Chem. Eng. Data, 1970, 15, 286-290. [all data]

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Notes

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