1-Propanol

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Gas phase thermochemistry data

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Gas Chromatography, References, Notes

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

Data compiled as indicated in comments:
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
ΔfH°gas-61.2 ± 0.7kcal/molAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
S°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

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Ion clustering data, Gas Chromatography, References, Notes

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

Data compiled as indicated in comments:
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+ • 1-Propanol)

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

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

Quantity Value Units Method Reference Comment
ΔrH°30.4kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; switching reaction(CH3CNH+)CH3CN; Lias, Liebman, et al., 1984, Deakyne, Meot-Ner (Mautner), et al., 1986; M
ΔrH°31.6kcal/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
ΔrS°26.7cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; switching reaction(CH3CNH+)CH3CN; Lias, Liebman, et al., 1984, Deakyne, Meot-Ner (Mautner), et al., 1986; M
ΔrS°30.2cal/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
ΔrG°22.6kcal/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+ • 1-Propanol)

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

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

Quantity Value Units Method Reference Comment
ΔrH°30.3kcal/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
ΔrS°28.4cal/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
ΔrG°21.8kcal/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+ • 1-Propanol)

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

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

Quantity Value Units Method Reference Comment
ΔrH°31.7kcal/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
ΔrS°29.2cal/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
ΔrG°23.0kcal/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
ΔrH°375.7 ± 1.3kcal/molD-EAEllison, Engleking, et al., 1982gas phase; B
ΔrH°376.0 ± 2.1kcal/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
ΔrH°376.2 ± 2.0kcal/molCIDCHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
Quantity Value Units Method Reference Comment
ΔrG°369.2 ± 1.4kcal/molH-TSEllison, Engleking, et al., 1982gas phase; B
ΔrG°369.4 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
ΔrG°369.6 ± 2.1kcal/molH-TSHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B

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

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

Quantity Value Units Method Reference Comment
ΔrH°27.3 ± 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
ΔrS°29.3cal/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
ΔrG°18.6 ± 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- • 1-Propanol)

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

Quantity Value Units Method Reference Comment
ΔrH°22.5 ± 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
ΔrS°29.3cal/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
ΔrG°13.8 ± 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- • 1-Propanol)

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

Quantity Value Units Method Reference Comment
ΔrH°28.5 ± 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
ΔrS°29.3cal/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
ΔrG°19.4 ± 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 • 1-Propanol)

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

Quantity Value Units Method Reference Comment
ΔrH°20.40 ± 0.50kcal/molTDAsHiraoka, 1987gas phase; B,B,M
ΔrH°17.7 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°29.0cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
ΔrS°23.2cal/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
ΔrG°11.70kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B
ΔrG°11.7 ± 2.0kcal/molTDAsHiraoka, 1987gas phase; B
ΔrG°10.8 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M

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

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

Quantity Value Units Method Reference Comment
ΔrH°21.7kcal/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
ΔrS°29.3cal/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
ΔrG°13.0kcal/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+ • 1-Propanol)

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

Quantity Value Units Method Reference Comment
ΔrH°43.3kcal/molPHPMSWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder((CH3)3Si+))H2O, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°30.8cal/mol*KN/AWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder((CH3)3Si+))H2O, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (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+ • 1-Propanol)

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

Quantity Value Units Method Reference Comment
ΔrH°35.5kcal/molPHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°32.cal/mol*KN/AStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (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- • 1-Propanol)

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

Quantity Value Units Method Reference Comment
ΔrH°26.9 ± 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
ΔrG°18.2 ± 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- • 1-Propanol)

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

Quantity Value Units Method Reference Comment
ΔrH°21.6 ± 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
ΔrG°12.9 ± 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+ • 71-Propanol) + 1-Propanol = (C3H9O+ • 81-Propanol)

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

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

Quantity Value Units Method Reference Comment
ΔrH°11.kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°30.cal/mol*KN/AMeot-Ner (Mautner), 1992gas phase; Entropy change calculated or estimated; M

Free energy of reaction

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

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

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

Quantity Value Units Method Reference Comment
ΔrH°10.8 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B,M
Quantity Value Units Method Reference Comment
ΔrS°30.cal/mol*KN/AHiraoka and Mizuse, 1987gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°1.8 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B

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

By formula: F- + C3H8O = (F- • C3H8O)

Quantity Value Units Method Reference Comment
ΔrH°32.3 ± 2.0kcal/molIMRELarson and McMahon, 1983gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°25.4cal/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
ΔrG°24.7 ± 2.0kcal/molIMRELarson and McMahon, 1983gas phase; B,M

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

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

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

Quantity Value Units Method Reference Comment
ΔrH°14.4kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
ΔrH°14.2kcal/molPHPMSHiraoka, Morise, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°25.5cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
ΔrS°23.8cal/mol*KPHPMSHiraoka, Morise, et al., 1986gas phase; M

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

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

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

Quantity Value Units Method Reference Comment
ΔrH°11.9kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
ΔrH°11.7kcal/molPHPMSHiraoka, Morise, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°24.8cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
ΔrS°23.0cal/mol*KPHPMSHiraoka, Morise, et al., 1986gas phase; M

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

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

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

Quantity Value Units Method Reference Comment
ΔrH°21.6kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
ΔrH°18.9kcal/molPHPMSHiraoka, Morise, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°31.4cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
ΔrS°23.0cal/mol*KPHPMSHiraoka, Morise, et al., 1986gas phase; M

Propanal + Hydrogen = 1-Propanol

By formula: C3H6O + H2 = C3H8O

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

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

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

Quantity Value Units Method Reference Comment
ΔrH°14.2 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°31.2cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°4.8 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

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

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

Quantity Value Units Method Reference Comment
ΔrH°13.3 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°32.1cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°3.7 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

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

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

Quantity Value Units Method Reference Comment
ΔrH°12.6 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°32.9cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°2.7 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

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

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

Quantity Value Units Method Reference Comment
ΔrH°11.6 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°31.0cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°2.3 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

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

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

Quantity Value Units Method Reference Comment
ΔrH°11.0 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°30.2cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°1.9 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

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

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

Quantity Value Units Method Reference Comment
ΔrH°15.8 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°25.4cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°8.2 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

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

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

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

Quantity Value Units Method Reference Comment
ΔrH°10.9kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°25.4cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M

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

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

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

Quantity Value Units Method Reference Comment
ΔrH°11.1kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°28.8cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M

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

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

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

Quantity Value Units Method Reference Comment
ΔrH°10.9kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°30.5cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M

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

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

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

Quantity Value Units Method Reference Comment
ΔrH°22.0kcal/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°25.6cal/mol*KPHPMSMeot-Ner, 1984gas phase; M

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

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

Quantity Value Units Method Reference Comment
ΔrH°25.8 ± 1.0kcal/molCIDTArmentrout and Rodgers, 2000RCD
ΔrH°25.8 ± 1.0kcal/molCIDTRodgers and Armentrout, 1999RCD

Free energy of reaction

ΔrG° (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
ΔrH°-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 • 1-Propanol)

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

Quantity Value Units Method Reference Comment
ΔrH°15.0kcal/molPHPMSSieck and Meot-ner, 1989gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°26.0cal/mol*KPHPMSSieck and Meot-ner, 1989gas phase; M

Fluorine anion + 1-Propanol = C3H7D8FO-

By formula: F- + C3H8O = C3H7D8FO-

Quantity Value Units Method Reference Comment
ΔrG°24.3 ± 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+) • 1-Propanol)

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

Quantity Value Units Method Reference Comment
ΔrH°64. ± 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
ΔrH°-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
ΔrH°-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
ΔrH°-5.21kcal/molEqkRubtsov, 1986liquid phase; ALS

Ketene + 1-Propanol = n-Propyl acetate

By formula: C2H2O + C3H8O = C5H10O2

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

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

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

Quantity Value Units Method Reference Comment
ΔrH°40.9 ± 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
ΔrH°-8.4kcal/molKinTribunescu, Poraicu, et al., 1978liquid phase; ALS

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Ion clustering data, Gas Chromatography, References, Notes

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

Data 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
ΔrH°375.7 ± 1.3kcal/molD-EAEllison, Engleking, et al., 1982gas phase; B
ΔrH°376.0 ± 2.1kcal/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
ΔrH°376.2 ± 2.0kcal/molCIDCHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
Quantity Value Units Method Reference Comment
ΔrG°369.2 ± 1.4kcal/molH-TSEllison, Engleking, et al., 1982gas phase; B
ΔrG°369.4 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
ΔrG°369.6 ± 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, Reaction thermochemistry data, Gas phase ion energetics data, Gas Chromatography, References, Notes

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

Data compiled 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+ • 1-Propanol)

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

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

Quantity Value Units Method Reference Comment
ΔrH°22.0kcal/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°25.6cal/mol*KPHPMSMeot-Ner, 1984gas phase; M

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

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

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

Quantity Value Units Method Reference Comment
ΔrH°30.3kcal/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
ΔrS°28.4cal/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
ΔrG°21.8kcal/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+ • 1-Propanol)

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

Quantity Value Units Method Reference Comment
ΔrH°21.7kcal/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
ΔrS°29.3cal/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
ΔrG°13.0kcal/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- • 1-Propanol)

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

Quantity Value Units Method Reference Comment
ΔrH°21.6 ± 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
ΔrG°12.9 ± 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- • 1-Propanol)

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

Quantity Value Units Method Reference Comment
ΔrH°28.5 ± 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
ΔrS°29.3cal/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
ΔrG°19.4 ± 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+ • 1-Propanol)

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

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

Quantity Value Units Method Reference Comment
ΔrH°30.4kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; switching reaction(CH3CNH+)CH3CN; Lias, Liebman, et al., 1984, Deakyne, Meot-Ner (Mautner), et al., 1986; M
ΔrH°31.6kcal/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
ΔrS°26.7cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; switching reaction(CH3CNH+)CH3CN; Lias, Liebman, et al., 1984, Deakyne, Meot-Ner (Mautner), et al., 1986; M
ΔrS°30.2cal/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
ΔrG°22.6kcal/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+ • 1-Propanol) + 1-Propanol = (C3H9O+ • 21-Propanol)

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

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

Quantity Value Units Method Reference Comment
ΔrH°21.6kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
ΔrH°18.9kcal/molPHPMSHiraoka, Morise, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°31.4cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
ΔrS°23.0cal/mol*KPHPMSHiraoka, Morise, et al., 1986gas phase; M

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

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

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

Quantity Value Units Method Reference Comment
ΔrH°14.4kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
ΔrH°14.2kcal/molPHPMSHiraoka, Morise, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°25.5cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
ΔrS°23.8cal/mol*KPHPMSHiraoka, Morise, et al., 1986gas phase; M

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

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

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

Quantity Value Units Method Reference Comment
ΔrH°11.9kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
ΔrH°11.7kcal/molPHPMSHiraoka, Morise, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°24.8cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
ΔrS°23.0cal/mol*KPHPMSHiraoka, Morise, et al., 1986gas phase; M

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

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

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

Quantity Value Units Method Reference Comment
ΔrH°10.9kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°25.4cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M

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

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

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

Quantity Value Units Method Reference Comment
ΔrH°11.1kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°28.8cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M

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

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

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

Quantity Value Units Method Reference Comment
ΔrH°10.9kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°30.5cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M

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

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

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

Quantity Value Units Method Reference Comment
ΔrH°11.kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°30.cal/mol*KN/AMeot-Ner (Mautner), 1992gas phase; Entropy change calculated or estimated; M

Free energy of reaction

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

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

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

Quantity Value Units Method Reference Comment
ΔrH°43.3kcal/molPHPMSWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder((CH3)3Si+))H2O, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°30.8cal/mol*KN/AWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder((CH3)3Si+))H2O, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (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+ • 1-Propanol)

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

Quantity Value Units Method Reference Comment
ΔrH°35.5kcal/molPHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°32.cal/mol*KN/AStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (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- • 1-Propanol)

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

Quantity Value Units Method Reference Comment
ΔrH°27.3 ± 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
ΔrS°29.3cal/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
ΔrG°18.6 ± 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+ • 1-Propanol)

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

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

Quantity Value Units Method Reference Comment
ΔrH°31.7kcal/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
ΔrS°29.2cal/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
ΔrG°23.0kcal/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- • 1-Propanol)

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

Quantity Value Units Method Reference Comment
ΔrH°26.9 ± 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
ΔrG°18.2 ± 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 • 1-Propanol)

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

Quantity Value Units Method Reference Comment
ΔrH°15.0kcal/molPHPMSSieck and Meot-ner, 1989gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°26.0cal/mol*KPHPMSSieck and Meot-ner, 1989gas phase; M

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

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

Quantity Value Units Method Reference Comment
ΔrH°22.5 ± 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
ΔrS°29.3cal/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
ΔrG°13.8 ± 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 • 1-Propanol)

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

Quantity Value Units Method Reference Comment
ΔrH°20.40 ± 0.50kcal/molTDAsHiraoka, 1987gas phase; B,B,M
ΔrH°17.7 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°29.0cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
ΔrS°23.2cal/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
ΔrG°11.70kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B
ΔrG°11.7 ± 2.0kcal/molTDAsHiraoka, 1987gas phase; B
ΔrG°10.8 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M

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

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

Quantity Value Units Method Reference Comment
ΔrH°15.8 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°25.4cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°8.2 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

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

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

Quantity Value Units Method Reference Comment
ΔrH°14.2 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°31.2cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°4.8 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

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

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

Quantity Value Units Method Reference Comment
ΔrH°13.3 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°32.1cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°3.7 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

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

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

Quantity Value Units Method Reference Comment
ΔrH°12.6 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°32.9cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°2.7 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

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

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

Quantity Value Units Method Reference Comment
ΔrH°11.6 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°31.0cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°2.3 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

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

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

Quantity Value Units Method Reference Comment
ΔrH°11.0 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°30.2cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°1.9 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

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

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

Quantity Value Units Method Reference Comment
ΔrH°10.8 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B,M
Quantity Value Units Method Reference Comment
ΔrS°30.cal/mol*KN/AHiraoka and Mizuse, 1987gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°1.8 ± 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
ΔrG°24.3 ± 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 • 1-Propanol)

By formula: F- + C3H8O = (F- • C3H8O)

Quantity Value Units Method Reference Comment
ΔrH°32.3 ± 2.0kcal/molIMRELarson and McMahon, 1983gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°25.4cal/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
ΔrG°24.7 ± 2.0kcal/molIMRELarson and McMahon, 1983gas phase; B,M

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

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

Quantity Value Units Method Reference Comment
ΔrH°40.9 ± 1.9kcal/molCIDTRodgers and Armentrout, 2000RCD

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

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

Quantity Value Units Method Reference Comment
ΔrH°64. ± 5.kcal/molICROperti, Tews, et al., 1988gas phase; switching reaction,Thermochemical ladder(Mg+)CH3OH; M

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

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

Quantity Value Units Method Reference Comment
ΔrH°25.8 ± 1.0kcal/molCIDTArmentrout and Rodgers, 2000RCD
ΔrH°25.8 ± 1.0kcal/molCIDTRodgers and Armentrout, 1999RCD

Free energy of reaction

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

Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, References, Notes

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

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

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryHP-10.561.2Wang, Liu, et al., 200530. m/0.25 mm/0.25 μm
CapillaryHP-110.561.4Wang, Liu, et al., 200530. m/0.25 mm/0.25 μm
CapillaryHP-120.559.3Wang, Liu, et al., 200530. m/0.25 mm/0.25 μm
CapillaryHP-130.558.2Wang, Liu, et al., 200530. m/0.25 mm/0.25 μm
CapillaryHP-140.549.7Wang, Liu, et al., 200530. m/0.25 mm/0.25 μm
CapillaryHP-150.543.7Wang, Liu, et al., 200530. m/0.25 mm/0.25 μm
CapillaryHP-160.536.9Wang, Liu, et al., 200530. m/0.25 mm/0.25 μm
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. μm, He
CapillarySE-30110.542.3Golovnya, Kuz'menko, et al., 200025. m/0.32 mm/1. μm, He
CapillarySE-30120.540.5Golovnya, Kuz'menko, et al., 200025. m/0.32 mm/1. μm, He
CapillarySE-30130.541.5Golovnya, Kuz'menko, et al., 200025. m/0.32 mm/1. μm, He
CapillarySE-3048.556.5Golovnya, Kuz'menko, et al., 200025. m/0.32 mm/1. μm, He
CapillarySE-3058.553.6Golovnya, Kuz'menko, et al., 200025. m/0.32 mm/1. μm, He
CapillarySE-3066.551.4Golovnya, Kuz'menko, et al., 200025. m/0.32 mm/1. μm, He
CapillarySE-30100.544.6Golovnya, Kuz'menko, et al., 2000, 225. m/0.32 mm/1. μm, He
CapillarySE-30110.542.3Golovnya, Kuz'menko, et al., 2000, 225. m/0.32 mm/1. μm, He
CapillarySE-30120.540.5Golovnya, Kuz'menko, et al., 2000, 225. m/0.32 mm/1. μm, He
CapillarySE-30130.541.5Golovnya, Kuz'menko, et al., 2000, 225. m/0.32 mm/1. μm, He
CapillarySE-3048.556.5Golovnya, Kuz'menko, et al., 2000, 225. m/0.32 mm/1. μm, He
CapillarySE-3058.553.5Golovnya, Kuz'menko, et al., 2000, 225. m/0.32 mm/1. μm, He
CapillarySE-3066.551.4Golovnya, Kuz'menko, et al., 2000, 225. m/0.32 mm/1. μm, 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 μm, 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

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Column type Active phase I Reference Comment
CapillarySPB-5555.Engel and Ratel, 200760. m/0.32 mm/1. μm, 40. C @ 2. min, 3. K/min, 230. C @ 10. min
CapillaryDB-5595.Bylaite and Meyer, 200630. m/0.25 mm/1. μm, 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 μm, 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 μm, 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 μm, 40. C @ 2. min, 4. K/min, 280. C @ 5. min
CapillarySPB-5568.Pino, Marbot, et al., 200330. m/0.25 mm/0.25 μm, 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 μm, 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 μm, 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 μm, 40. C @ 2. min, 4. K/min; Tend: 280. C
CapillarySE-30551.Golovnya, Samusenko, et al., 200125. m/0.32 mm/1. μm, He, 2. K/min; Tstart: 60. C
CapillarySE-30555.Golovnya, Samusenko, et al., 200125. m/0.32 mm/1. μm, He, 4. K/min; Tstart: 60. C
CapillarySE-30557.Golovnya, Samusenko, et al., 200125. m/0.32 mm/1. μm, He, 6. K/min; Tstart: 60. C
CapillarySE-30556.Golovnya, Samusenko, et al., 200125. m/0.32 mm/1. μm, He, 8. K/min; Tstart: 60. C
CapillarySPB-1537.Larráyoz, Addis, et al., 200130. m/0.32 mm/4. μm, 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. μm, He, 4. K/min; Tstart: 60. C
CapillarySE-30540.2Golovnya, Kuz'menko, et al., 2000, 225. m/0.32 mm/1. μm, He, 4. K/min; Tstart: 60. C
CapillaryDB-1546.Bartelt, 199730. m/0.32 mm/5. μm, He, 35. C @ 1. min, 10. K/min; Tend: 270. C
CapillaryDB-1552.Peng, 199215. m/0.53 mm/1. μm, 40. C @ 4. min, 8. K/min; Tend: 250. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5MS532.Bonaiti, Irlinger, et al., 200530. m/0.25 mm/0.25 μm, 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 μm, 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 μm, 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 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryOV-3511005.Bonvehí, 200550. m/0.32 mm/0.2 μm, He, 5. K/min; Tstart: 60. C; Tend: 220. C
CapillarySupelcowax-101002.Chung, Fung, et al., 200560. m/0.25 mm/0.25 μm, 35. C @ 5. min, 6. K/min, 195. C @ 60. min
CapillaryStabilwax1025.Cros, Lignot, et al., 200560. m/0.25 mm/0.25 μm, 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 μm, He, 40. C @ 2. min, 4. K/min; Tend: 280. C
CapillaryStabilwax1060.Fang and Qian, 200530. m/0.32 mm/1. μm, 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. μm, 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 μm, 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 μm, 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 μm, He, 45. C @ 10. min, 6. K/min, 240. C @ 30. min
CapillaryStabilwax1025.Cros, Vandanjon, et al., 200360. m/0.25 mm/0.25 μm, 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 μm, 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 μm, 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 μm, 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 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 10. min
CapillarySupelcowax-101041.Chung, 200060. m/0.25 mm/0.25 μm, 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 μm, 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 μm, 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 μm, He, 40. C @ 2. min, 4. K/min, 250. C @ 10. min
CapillaryHP-Wax1073.Peng, 200015. m/0.53 mm/1. μm, He, 40. C @ 3. min, 5. K/min, 220. C @ 30. min
CapillarySupelcowax-101041.Chung, 199960. m/0.25 mm/0.25 μm, 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 μm, 40. C @ 5. min, 3. K/min, 200. C @ 60. min
CapillaryDB-Wax1038.Cha, Kim, et al., 199830. m/0.32 mm/0.25 μm, He, 40. C @ 5. min, 6. K/min, 200. C @ 30. min
CapillaryFFAP1064.Ott, Fay, et al., 199730. m/0.25 mm/0.25 μm, 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 μm, 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 μm, 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 μm; 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 μm, 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 μm, 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 μm, 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 μm, 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 μm, H2; Program: 60C(3min) => 2C/min => 220C => 3C/min => 245C (20min)
CapillaryDB-Wax1029.Ferrari, Lablanquie, et al., 200460. m/0.25 mm/0.25 μm, 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 μm; Program: 60C(8min) => 8C/min => 170C => 13C/min => 240C(20min)
CapillaryDB-Wax1032.Sérot, Regost, et al., 200230. m/0.32 mm/0.5 μm, He; Program: 50C => 5C/min => 180C => 10C/min => 250C
CapillaryDB-Wax1034.Sérot, Regost, et al., 200130. m/0.32 mm/0.5 μm, He; Program: 50C => 5C/min => 180C => 10C/min => 250C
CapillaryFFAP1031.Yasuhara, 198750. m/0.25 mm/0.25 μm, 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 μm, 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 μm, 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 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C
CapillaryVF-5 MS553.Leffingwell and Alford, 201160. m/0.32 mm/0.25 μm, 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 μm, Helium, 40. C @ 1. min, 10. K/min; Tend: 250. C
CapillaryRTX-5559.Berdague, Tournayre, et al., 200760. m/0.32 mm/1. μm, 40. C @ 5. min, 4. K/min, 205. C @ 5. min
CapillarySPB-5559.Vasta, Ratel, et al., 200760. m/0.32 mm/1. μm, 40. C @ 5. min, 3. K/min, 230. C @ 5. min
CapillarySPB-5559.Vasta, Ratel, et al., 200760. m/0.32 mm/1. μm, 40. C @ 5. min, 3. K/min, 230. C @ 5. min
CapillaryHP-5548.Isidorov, Purzynska, et al., 200630. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 3. K/min; Tend: 200. C
CapillaryHP-5557.9Leffingwell and Alford, 200560. m/0.32 mm/0.25 μm, 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 μm, 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 μm, 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 μm, Helium, 60. C @ 2. min, 4. K/min, 250. C @ 20. min
CapillaryDB-5554.Joffraud, Leroi, et al., 200160. m/0.32 mm/1. μm, 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 μm, H2, 40. C @ 5. min, 6. K/min, 280. C @ 5. min
CapillaryBP-1539.Health Safety Executive, 200050. m/0.22 mm/0.75 μm, He, 5. K/min; Tstart: 50. C; Tend: 200. C
CapillaryMethyl Silicone538.64Baraldi, Rapparini, et al., 199960. m/0.25 mm/0.25 μm, 40. C @ 10. min, 5. K/min; Tend: 220. C
CapillaryDB-5521.Shimoda, Shibamoto, et al., 199360. m/0.25 mm/0.25 μm, 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 μm, 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 μm, 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. μm, 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 μm, 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. μm; 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 μm; 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 μm; 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. μm, 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. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
CapillaryDB-5560.Mateo and Zumalacárregui, 199650. m/0.32 mm/0.25 μm, He; Program: 40C (10min) => 3C/min => 95C => 10C/min => 270C (10min)
CapillaryDB-5562.Mateo and Zumalacárregui, 199650. m/0.32 mm/0.25 μm, 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 μm; Program: not specified
CapillaryDB-1546.Ciccioli, Brancaleoni, et al., 199360. m/0.32 mm/0.25 μm; 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 μm, 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 μm, 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 μm, 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 μm, Helium
CapillaryCarbowax 20M120.1028.Sun, Siepmann, et al., 200630. m/0.25 mm/0.25 μm, Helium
CapillaryCarbowax 20M140.1023.Sun, Siepmann, et al., 200630. m/0.25 mm/0.25 μm, Helium
CapillaryCarbowax 20M60.1040.Sun, Siepmann, et al., 200630. m/0.25 mm/0.25 μm, Helium
CapillaryCarbowax 20M80.1037.Sun, Siepmann, et al., 200630. m/0.25 mm/0.25 μm, 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 μm, Helium, 15. K/min; Tstart: 45. C; Tend: 220. C
CapillaryDB-Wax1034.Zhao, Xu, et al., 200930. m/0.25 mm/0.25 μm, Helium, 40. C @ 2. min, 3. K/min, 230. C @ 5. min
CapillaryStabilwax1025.Cros, Vandanjon, et al., 200760. m/0.25 mm/0.25 μm, Helium, 40. C @ 5. min, 3. K/min, 240. C @ 10. min
CapillaryDB-Wax1035.Fan and Qian, 200630. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min, 230. C @ 15. min
CapillaryDB-Wax1002.Rizzolo, Cambiaghi, et al., 200560. m/0.53 mm/1. μm, 50. C @ 10. min, 3. K/min; Tend: 180. C
CapillaryZB-Wax1030.N/A30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryZB-Wax1030.N/A30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryZB-Wax1043.N/A30. m/0.32 mm/0.25 μm, 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 μm, 35. C @ 5. min, 4. K/min, 240. C @ 10. min
CapillaryPEG-20M1029.Narain, Almeida, et al., 200450. m/0.20 mm/0.20 μm, 40. C @ 5. min, 3. K/min, 180. C @ 30. min
CapillaryStabilwax1025.Cros, Vandanjon, et al., 2003, 260. m/0.25 mm/0.25 μm, Helium, 40. C @ 5. min, 3. K/min, 240. C @ 10. min
CapillaryDB-Wax1040.Dregus and Engel, 200360. m/0.32 mm/0.25 μm, H2, 40. C @ 5. min, 4. K/min, 230. C @ 25. min
CapillaryDB-Wax1038.Lee and Noble, 200330. m/0.25 mm/0.25 μm, He, 40. C @ 4. min, 4. K/min, 185. C @ 20. min
CapillaryHP-FFAP1045.Wanakhachornkrai and Lertsiri, 200325. m/0.32 mm/0.5 μm, He, 15. K/min; Tstart: 45. C; Tend: 220. C
CapillaryHP-FFAP1006.Qian and Reineccius, 200225. m/0.32 mm/0.52 μm, 60. C @ 1. min, 5. K/min, 240. C @ 5. min
CapillaryTC-Wax1038.Suhardi, Suzuki, et al., 200260. m/0.25 mm/0.25 μm, 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 μm, He, 2. K/min; Tstart: 40. C; Tend: 200. C
CapillaryCP-Wax 52CB1002.Hwan and Chou, 199950. m/0.32 mm/0.22 μm, 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 μm, 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 μm, Hydrogen, 30. C @ 6. min, 3. K/min; Tend: 190. C
CapillarySupelcowax-101002.Girard and Lau, 199590. m/0.25 mm/0.25 μm, 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 μm, Helium; Program: not specified
CapillaryDB-Wax1038.Welke, Manfroi, et al., 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryHP-Innowax1045.Xiao, Dai, et al., 201160. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (2 min) 3 0C/min -> 150 0C 5 0C/min -> 220 0C (5 min)
CapillaryFFAP992.Ortiz, Echeverra, et al., 200950. m/0.20 mm/0.33 μm, 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 μm, Helium; Program: not specified
CapillaryDB-Wax1036.Li, Tao, et al., 200830. m/0.32 mm/0.25 μm, 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 μm, 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 μm, 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 μm, 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 μm, 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 μm, 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 μm, He; Program: 40C(10min) => 2C/min => 200C(1min) => 2C/min => 250C (10min)
CapillaryFFAP1036.Lara, Echeverría, et al., 200750. m/0.2 mm/0.33 μm, He; Program: 70C(1min) => 3C/min => 142C => 5C/min => 225C (10min)
CapillaryDB-Wax1036.Li, Tao, et al., 200730. m/0.32 mm/0.25 μm, He; Program: 40C(3min) => 4C/min => 160C => 7C/min => 230C (8min)
CapillaryFFAP1036.Lopez, Villatoro, et al., 200750. m/0.2 mm/0.33 μm, He; Program: 70C(1min) => 3C/min => 142C => 5C/min => 225C(10min)
CapillaryDB-Wax1032.Tian, Zhang, et al., 200730. m/0.25 mm/0.25 μm, 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 μm, 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 μm, He; Program: 35C(5min) => 2C/min => 50C => 5C/min => 200C (5min)
CapillaryFFAP1036.Echeverría, Correa, et al., 200450. m/0.2 mm/0.33 μm, 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 μm, 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 μm, He; Program: 70C(1min) => 3C/min => 142C => 5C/min => 225C (10min)
CapillaryFFAP1042.Lopez, Lavilla, et al., 200050. m/0.2 mm/0.33 μm, 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 μm, N2; Program: 70C(1min) => 3C/min => 142C (2min) => 25C/min => 230C(5min)
CapillarySupelcowax-101047.Forney and Jordan, 199860. m/0.53 mm/1. μm, He; Program: 40C (2min) => 16C/min => 120C => 15C/min => 240C(3min)
CapillaryFFAP1042.López, Lavilla, et al., 199850. m/0.2 mm/0.33 μm, 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, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Gas Chromatography, Notes

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

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Notes

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