Isopropyl Alcohol

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Gas phase thermochemistry data

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes

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

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

Quantity Value Units Method Reference Comment
ΔfH°gas-272.8kJ/molEqkBuckley and Herington, 1965ALS
ΔfH°gas-271.1kJ/molN/AChao and Rossini, 1965Value computed using ΔfHliquid° value of -317.0±0.3 kj/mol from Chao and Rossini, 1965 and ΔvapH° value of 45.9 kj/mol from Snelson and Skinner, 1961.; DRB
ΔfH°gas-272.3 ± 0.92kJ/molCcbSnelson and Skinner, 1961ALS
ΔfH°gas-272.8kJ/molN/AParks, Mosley, et al., 1950Value computed using ΔfHliquid° value of -318.7 kj/mol from Parks, Mosley, et al., 1950 and ΔvapH° value of 45.9 kj/mol from Snelson and Skinner, 1961.; DRB

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
35.3250.Thermodynamics Research Center, 1997p=1 bar. Discrepancies with other statistically calculated values [ Green J.H.S., 1963] and [51KOB] increase at high temperatures up to 5 and 9 J/mol*K, respectively, in Cp(T). There is a good agreement with results [ Chao J., 1986]. Please also see Chao J., 1986, 2.; GT
46.04100.
57.98150.
68.28200.
83.72273.15
89.32 ± 0.15298.15
89.74300.
112.15400.
131.96500.
148.30600.
161.75700.
173.04800.
182.67900.
190.971000.
198.161100.
204.411200.
209.851300.
214.601400.
218.751500.
227.01750.
233.12000.
237.62250.
241.02500.
243.72750.
245.73000.

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
103.06358.72Stromsoe 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 1.59 J/mol*K. The accuracy of the experimental heat capacities [ Stromsoe E., 1970] is estimated as less than 0.3%. Other experimental values of Cp [ Parks G.S., 1940] (118.83 at 427.9 K, 127.61 at 457.7 K, and 135.56 J/mol*K at 480.3 K) are believed to be less reliable. Please also see Hales J.L., 1963, Berman N.S., 1964.; GT
105.7 ± 1.6365.75
105.77371.15
106.29373.15
108.1 ± 1.6378.85
109.2 ± 1.6384.95
110.08391.15
110.8 ± 1.6393.65
111.65398.15
113.0 ± 1.6405.35
114.35411.15
117.02423.15
118.70431.15
122.10448.15
122.80451.15
121.7 ± 1.6453.15
124.2 ± 1.6466.75
127.01473.15
126.7 ± 1.6480.55
130.3 ± 1.6499.75
132.9 ± 1.6513.95
137.5 ± 1.6539.05
142.6 ± 1.6567.05
148.1 ± 1.6597.25

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes

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

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

C3H7O- + Hydrogen cation = Isopropyl Alcohol

By formula: C3H7O- + H+ = C3H8O

Quantity Value Units Method Reference Comment
ΔrH°1569. ± 4.2kJ/molD-EARamond, Davico, et al., 2000gas phase; B
ΔrH°1571. ± 8.8kJ/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
ΔrH°1576. ± 4.2kJ/molCIDTDeTuri and Ervin, 1999gas phase; B
ΔrH°1572. ± 8.4kJ/molCIDCHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
Quantity Value Units Method Reference Comment
ΔrG°1542. ± 4.6kJ/molH-TSRamond, Davico, et al., 2000gas phase; B
ΔrG°1543. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
ΔrG°1544. ± 8.8kJ/molH-TSHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B

Chlorine anion + Isopropyl Alcohol = (Chlorine anion • Isopropyl Alcohol)

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

Quantity Value Units Method Reference Comment
ΔrH°81.17 ± 0.84kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrH°76.6 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
ΔrH°73.6 ± 8.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°103.J/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
ΔrS°97.1J/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°47.36kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrG°45.61kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B
ΔrG°44.8 ± 8.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M

C2H7O+ + Isopropyl Alcohol = (C2H7O+ • Isopropyl Alcohol)

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

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

Quantity Value Units Method Reference Comment
ΔrH°133.kJ/molICRBomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
ΔrS°124.J/mol*KN/ABomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
ΔrG°96.7kJ/molICRBomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M

C3H9O+ + Isopropyl Alcohol = (C3H9O+ • Isopropyl Alcohol)

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

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

Quantity Value Units Method Reference Comment
ΔrH°133.kJ/molICRBomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
ΔrS°124.J/mol*KN/ABomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
ΔrG°96.7kJ/molICRBomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M

C4H11O+ + Isopropyl Alcohol = (C4H11O+ • Isopropyl Alcohol)

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

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

Quantity Value Units Method Reference Comment
ΔrH°128.kJ/molICRBomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
ΔrS°118.J/mol*KN/ABomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
ΔrG°92.5kJ/molICRBomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M

C4H11O+ + Isopropyl Alcohol = (C4H11O+ • Isopropyl Alcohol)

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

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

Quantity Value Units Method Reference Comment
ΔrH°134.kJ/molICRBomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
ΔrS°115.J/mol*KN/ABomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
ΔrG°99.6kJ/molICRBomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M

CN- + Isopropyl Alcohol = (CN- • Isopropyl Alcohol)

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

Quantity Value Units Method Reference Comment
ΔrH°69.9 ± 3.3kJ/molTDAsLarson, Szulejko, et al., 1988gas phase; B,M
ΔrH°76. ± 15.kJ/molIMRELarson and McMahon, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°110.J/mol*KPHPMSLarson, Szulejko, et al., 1988gas phase; M
ΔrS°104.J/mol*KN/ALarson and McMahon, 1987gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M
Quantity Value Units Method Reference Comment
ΔrG°37.7 ± 0.84kJ/molTDAsLarson, Szulejko, et al., 1988gas phase; B
ΔrG°44.8 ± 9.6kJ/molIMRELarson and McMahon, 1987gas phase; B,M

Fluorine anion + Isopropyl Alcohol = (Fluorine anion • Isopropyl Alcohol)

By formula: F- + C3H8O = (F- • C3H8O)

Quantity Value Units Method Reference Comment
ΔrH°140.2 ± 2.9kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrH°135. ± 8.4kJ/molIMRELarson and McMahon, 1983gas phase; B,M
ΔrH°139. ± 9.2kJ/molCIDTDeTuri and Ervin, 1999gas phase; B
Quantity Value Units Method Reference Comment
ΔrS°107.J/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°107.5kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrG°103. ± 8.4kJ/molIMRELarson and McMahon, 1983gas phase; B,M

C3H9Si+ + Isopropyl Alcohol = (C3H9Si+ • Isopropyl Alcohol)

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

Quantity Value Units Method Reference Comment
ΔrH°184.kJ/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°129.J/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° (kJ/mol) T (K) Method Reference Comment
123.468.PHPMSWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M

(Chlorine anion • 2Isopropyl Alcohol) + Isopropyl Alcohol = (Chlorine anion • 3Isopropyl Alcohol)

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

Quantity Value Units Method Reference Comment
ΔrH°62.3 ± 2.1kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrH°52.3 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°109.J/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°22.2kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrG°20. ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion • Isopropyl Alcohol) + Isopropyl Alcohol = (Chlorine anion • 2Isopropyl Alcohol)

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

Quantity Value Units Method Reference Comment
ΔrH°69.9 ± 1.3kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrH°65.3 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°105.J/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°32.1kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrG°34. ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion • 7Isopropyl Alcohol) + Isopropyl Alcohol = (Chlorine anion • 8Isopropyl Alcohol)

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

Quantity Value Units Method Reference Comment
ΔrH°45.6 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B,M
Quantity Value Units Method Reference Comment
ΔrS°130.J/mol*KN/AHiraoka and Mizuse, 1987gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°6.7 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B

Iodide + Isopropyl Alcohol = (Iodide • Isopropyl Alcohol)

By formula: I- + C3H8O = (I- • C3H8O)

Quantity Value Units Method Reference Comment
ΔrH°54.81 ± 0.84kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrH°51.0 ± 4.2kJ/molTDAsCaldwell and Kebarle, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°79.9J/mol*KPHPMSCaldwell and Kebarle, 1984gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°26.5kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrG°27. ± 4.2kJ/molTDAsCaldwell and Kebarle, 1984gas phase; B

Hydrogen + Acetone = Isopropyl Alcohol

By formula: H2 + C3H6O = C3H8O

Quantity Value Units Method Reference Comment
ΔrH°-68.74 ± 0.42kJ/molCmWiberg, Crocker, et al., 1991liquid phase; ALS
ΔrH°-55.23kJ/molEqkBuckley and Herington, 1965gas phase; ALS
ΔrH°-55.40 ± 0.42kJ/molChydDolliver, Gresham, et al., 1938gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -56.1 ± 0.4 kJ/mol; At 355 °K; ALS

Bromine anion + Isopropyl Alcohol = C3H8BrO-

By formula: Br- + C3H8O = C3H8BrO-

Quantity Value Units Method Reference Comment
ΔrH°60.25 ± 0.84kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°34.9kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrG°38. ± 8.4kJ/molIMRETanabe, Morgon, et al., 1996gas phase; Anchored to H2O..Br- of Hiraoka, Mizure, et al., 19882; B

Sodium ion (1+) + Isopropyl Alcohol = (Sodium ion (1+) • Isopropyl Alcohol)

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

Quantity Value Units Method Reference Comment
ΔrH°113. ± 4.2kJ/molCIDTArmentrout and Rodgers, 2000RCD
ΔrH°113. ± 4.6kJ/molCIDTRodgers and Armentrout, 1999RCD

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
85.4298.IMREMcMahon and Ohanessian, 2000Anchor alanine=39.89; RCD
0.00.CIDTRodgers and Armentrout, 1999RCD

(Chlorine anion • 3Isopropyl Alcohol) + Isopropyl Alcohol = (Chlorine anion • 4Isopropyl Alcohol)

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

Quantity Value Units Method Reference Comment
ΔrH°49.8 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°120.J/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°14. ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion • 4Isopropyl Alcohol) + Isopropyl Alcohol = (Chlorine anion • 5Isopropyl Alcohol)

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

Quantity Value Units Method Reference Comment
ΔrH°48.5 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°128.J/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°10. ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion • 5Isopropyl Alcohol) + Isopropyl Alcohol = (Chlorine anion • 6Isopropyl Alcohol)

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

Quantity Value Units Method Reference Comment
ΔrH°47.3 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°130.J/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°8.4 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion • 6Isopropyl Alcohol) + Isopropyl Alcohol = (Chlorine anion • 7Isopropyl Alcohol)

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

Quantity Value Units Method Reference Comment
ΔrH°46.4 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°131.J/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°7.1 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B

MeS anion + Isopropyl Alcohol = (MeS anion • Isopropyl Alcohol)

By formula: CH3S- + C3H8O = (CH3S- • C3H8O)

Quantity Value Units Method Reference Comment
ΔrH°71.55 ± 0.84kJ/molTDAsSieck and Meot-ner, 1989gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°96.7J/mol*KPHPMSSieck and Meot-ner, 1989gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°42.7 ± 3.3kJ/molTDAsSieck and Meot-ner, 1989gas phase; B

Fluorine anion + 2Isopropyl Alcohol = C6H16FO2-

By formula: F- + 2C3H8O = C6H16FO2-

Quantity Value Units Method Reference Comment
ΔrH°87.03 ± 0.84kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°55.48kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

thiophenoxide anion + Isopropyl Alcohol = C9H13OS-

By formula: C6H5S- + C3H8O = C9H13OS-

Quantity Value Units Method Reference Comment
ΔrH°62.76 ± 0.42kJ/molTDAsSieck and Meot-ner, 1989gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°30.5 ± 1.7kJ/molTDAsSieck and Meot-ner, 1989gas phase; B

Fluorine anion + 3Isopropyl Alcohol = C9H24FO3-

By formula: F- + 3C3H8O = C9H24FO3-

Quantity Value Units Method Reference Comment
ΔrH°73.64 ± 0.84kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°35.0kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

Iodide + 2Isopropyl Alcohol = C6H16IO2-

By formula: I- + 2C3H8O = C6H16IO2-

Quantity Value Units Method Reference Comment
ΔrH°46.0 ± 1.3kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°19.5kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

Bromine anion + 2Isopropyl Alcohol = C6H16BrO2-

By formula: Br- + 2C3H8O = C6H16BrO2-

Quantity Value Units Method Reference Comment
ΔrH°51.46 ± 0.84kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°22.8kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

Iodide + 3Isopropyl Alcohol = C9H24IO3-

By formula: I- + 3C3H8O = C9H24IO3-

Quantity Value Units Method Reference Comment
ΔrH°39.7 ± 2.9kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°14.8kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

1-Propene, 2-methyl- + Isopropyl Alcohol = Propane, 2-methyl-2-(1-methylethoxy)-

By formula: C4H8 + C3H8O = C7H16O

Quantity Value Units Method Reference Comment
ΔrH°-22.9 ± 1.3kJ/molEqkCalderon, Tejero, et al., 1997liquid phase; ALS
ΔrH°-21.7 ± 1.6kJ/molCmSola, Pericas, et al., 1997liquid phase; ALS

Isopropyl Alcohol = Hydrogen + Acetone

By formula: C3H8O = H2 + C3H6O

Quantity Value Units Method Reference Comment
ΔrH°55.23kJ/molEqkBuckley and Herington, 1965gas phase; ALS
ΔrH°56.543kJ/molEqkKolb and Burwell, 1945gas phase; ALS

Fluorine anion + Isopropyl Alcohol = C3H7D8FO-

By formula: F- + C3H8O = C3H7D8FO-

Quantity Value Units Method Reference Comment
ΔrG°102. ± 8.4kJ/molIMREWilkinson, Szulejko, et al., 1992gas phase; Reported relative to ROH..F-, 0.5 kcal/mol weaker.; B

Magnesium ion (1+) + Isopropyl Alcohol = (Magnesium ion (1+) • Isopropyl Alcohol)

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

Quantity Value Units Method Reference Comment
ΔrH°270. ± 20.kJ/molICROperti, Tews, et al., 1988gas phase; switching reaction,Thermochemical ladder(Mg+)CH3OH; M

Isopropyl acetate + Water = Acetic acid + Isopropyl Alcohol

By formula: C5H10O2 + H2O = C2H4O2 + C3H8O

Quantity Value Units Method Reference Comment
ΔrH°2.3 ± 0.2kJ/molCmWadso, 1958liquid phase; Heat of Hydrolysis; ALS

Isopropyl Alcohol + Chloral = 2,2,2-trichloro-1-isopropoxyethanol

By formula: C3H8O + C2HCl3O = 2,2,2-trichloro-1-isopropoxyethanol

Quantity Value Units Method Reference Comment
ΔrH°-41.6kJ/molEqkJensen and Pedersen, 1971liquid phase; solvent: Heptane; ALS

Cyclohexanol + Acetone = Cyclohexanone + Isopropyl Alcohol

By formula: C6H12O + C3H6O = C6H10O + C3H8O

Quantity Value Units Method Reference Comment
ΔrH°9.9 ± 1.9kJ/molEqkFedoseenko, Yursha, et al., 1983gas phase; At 503 K; ALS

Isopropyl Alcohol + Ethene, 1,1-dichloro-2,2-difluoro- = C5H8Cl2F2O

By formula: C3H8O + C2Cl2F2 = C5H8Cl2F2O

Quantity Value Units Method Reference Comment
ΔrH°-183. ± 1.kJ/molEqkKennedy, Lacher, et al., 1969gas phase; ALS

Cyclohexanone + Isopropyl Alcohol = Cyclohexanol + Acetone

By formula: C6H10O + C3H8O = C6H12O + C3H6O

Quantity Value Units Method Reference Comment
ΔrH°-9.9 ± 1.9kJ/molEqkKabo, Yursha, et al., 1988gas phase; ALS

Isopropyl Alcohol + Nitric acid = Nitric acid, 1-methylethyl ester + Water

By formula: C3H8O + HNO3 = C3H7NO3 + H2O

Quantity Value Units Method Reference Comment
ΔrH°-23.4kJ/molEqkRubtsov, 1986liquid phase; ALS

Ketene + Isopropyl Alcohol = Isopropyl acetate

By formula: C2H2O + C3H8O = C5H10O2

Quantity Value Units Method Reference Comment
ΔrH°-150.2kJ/molCmRice and Greenberg, 1934liquid phase; ALS

Lithium ion (1+) + Isopropyl Alcohol = (Lithium ion (1+) • Isopropyl Alcohol)

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

Quantity Value Units Method Reference Comment
ΔrH°173. ± 7.9kJ/molCIDTRodgers and Armentrout, 2000RCD

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes

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

Data 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
MM - Michael M. Meot-Ner (Mautner)
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C3H8O+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)10.17 ± 0.02eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)793.0kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity762.6kJ/molN/AHunter and Lias, 1998HL

Proton affinity at 298K

Proton affinity (kJ/mol) Reference Comment
796. ± 6.Cao and Holmes, 2001MM

Ionization energy determinations

IE (eV) Method Reference Comment
10.15 ± 0.07EIBowen and Maccoll, 1984LBLHLM
10.10 ± 0.02PIPotapov and Sorokin, 1972LLK
10.29 ± 0.02PECocksey, Eland, et al., 1971LLK
10.18PEDewar and Worley, 1969RDSH
10.12 ± 0.03PIRefaey and Chupka, 1968RDSH
10.15 ± 0.05PIWatanabe, 1957RDSH
10.44PEBenoit and Harrison, 1977Vertical value; LLK
10.49 ± 0.03PEPeel and Willett, 1975Vertical value; LLK
10.42PERobin and Kuebler, 1973Vertical value; LLK
10.36PEKatsumata, Iwai, et al., 1973Vertical value; LLK
10.42PEBaker, Betteridge, et al., 1971Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CH3+30.2 ± 0.2?EIOlmsted, Street, et al., 1964RDSH
CH3O+12.5?EIFriedman, Long, et al., 1957RDSH
C2H3+14.6?EIFriedman, Long, et al., 1957RDSH
C2H4O+10.27 ± 0.09CH4EIBowen and Maccoll, 1984LBLHLM
C2H4O+10.26CH4EIHolmes, Burgers, et al., 1982LBLHLM
C2H4O+10.23 ± 0.02CH4PIPotapov and Sorokin, 1972LLK
C2H4O+10.27 ± 0.03CH4PIRefaey and Chupka, 1968RDSH
C2H5O+10.20 ± 0.08CH3EIBowen and Maccoll, 1984LBLHLM
C2H5O+10.26CH3EILossing, 1977LLK
C2H5O+10.40 ± 0.03CH3PIPotapov and Sorokin, 1972LLK
C2H5O+10.70CH3EIHaney and Franklin, 1969RDSH
C2H5O+10.40CH3PIRefaey and Chupka, 1968RDSH
C3H6+~12.0 ± 0.9H2OEIBowen and Maccoll, 1984LBLHLM
C3H6+~12.0H2OPIRefaey and Chupka, 1968RDSH
C3H7+11.6OHPIRefaey and Chupka, 1968RDSH
C3H7O+≤10.48 ± 0.08HEIBowen and Maccoll, 1984LBLHLM
C3H7O+≤10.48HEILossing, 1977LLK
C3H7O+10.3 ± 0.5HPIPotapov and Sorokin, 1972LLK
C3H7O+10.6HPIRefaey and Chupka, 1968RDSH
C3H7O+11.85HEILambdin, Tuffly, et al., 1959RDSH

De-protonation reactions

C3H7O- + Hydrogen cation = Isopropyl Alcohol

By formula: C3H7O- + H+ = C3H8O

Quantity Value Units Method Reference Comment
ΔrH°1569. ± 4.2kJ/molD-EARamond, Davico, et al., 2000gas phase; B
ΔrH°1571. ± 8.8kJ/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
ΔrH°1576. ± 4.2kJ/molCIDTDeTuri and Ervin, 1999gas phase; B
ΔrH°1572. ± 8.4kJ/molCIDCHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
Quantity Value Units Method Reference Comment
ΔrG°1542. ± 4.6kJ/molH-TSRamond, Davico, et al., 2000gas phase; B
ΔrG°1543. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
ΔrG°1544. ± 8.8kJ/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, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes

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

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

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

Clustering reactions

Bromine anion + Isopropyl Alcohol = C3H8BrO-

By formula: Br- + C3H8O = C3H8BrO-

Quantity Value Units Method Reference Comment
ΔrH°60.25 ± 0.84kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°34.9kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrG°38. ± 8.4kJ/molIMRETanabe, Morgon, et al., 1996gas phase; Anchored to H2O..Br- of Hiraoka, Mizure, et al., 19882; B

Bromine anion + 2Isopropyl Alcohol = C6H16BrO2-

By formula: Br- + 2C3H8O = C6H16BrO2-

Quantity Value Units Method Reference Comment
ΔrH°51.46 ± 0.84kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°22.8kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

MeS anion + Isopropyl Alcohol = (MeS anion • Isopropyl Alcohol)

By formula: CH3S- + C3H8O = (CH3S- • C3H8O)

Quantity Value Units Method Reference Comment
ΔrH°71.55 ± 0.84kJ/molTDAsSieck and Meot-ner, 1989gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°96.7J/mol*KPHPMSSieck and Meot-ner, 1989gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°42.7 ± 3.3kJ/molTDAsSieck and Meot-ner, 1989gas phase; B

CN- + Isopropyl Alcohol = (CN- • Isopropyl Alcohol)

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

Quantity Value Units Method Reference Comment
ΔrH°69.9 ± 3.3kJ/molTDAsLarson, Szulejko, et al., 1988gas phase; B,M
ΔrH°76. ± 15.kJ/molIMRELarson and McMahon, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°110.J/mol*KPHPMSLarson, Szulejko, et al., 1988gas phase; M
ΔrS°104.J/mol*KN/ALarson and McMahon, 1987gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M
Quantity Value Units Method Reference Comment
ΔrG°37.7 ± 0.84kJ/molTDAsLarson, Szulejko, et al., 1988gas phase; B
ΔrG°44.8 ± 9.6kJ/molIMRELarson and McMahon, 1987gas phase; B,M

C2H7O+ + Isopropyl Alcohol = (C2H7O+ • Isopropyl Alcohol)

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

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

Quantity Value Units Method Reference Comment
ΔrH°133.kJ/molICRBomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
ΔrS°124.J/mol*KN/ABomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
ΔrG°96.7kJ/molICRBomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M

C3H9O+ + Isopropyl Alcohol = (C3H9O+ • Isopropyl Alcohol)

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

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

Quantity Value Units Method Reference Comment
ΔrH°133.kJ/molICRBomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
ΔrS°124.J/mol*KN/ABomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
ΔrG°96.7kJ/molICRBomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M

C3H9Si+ + Isopropyl Alcohol = (C3H9Si+ • Isopropyl Alcohol)

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

Quantity Value Units Method Reference Comment
ΔrH°184.kJ/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°129.J/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° (kJ/mol) T (K) Method Reference Comment
123.468.PHPMSWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M

C4H11O+ + Isopropyl Alcohol = (C4H11O+ • Isopropyl Alcohol)

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

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

Quantity Value Units Method Reference Comment
ΔrH°128.kJ/molICRBomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
ΔrS°118.J/mol*KN/ABomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
ΔrG°92.5kJ/molICRBomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M

C4H11O+ + Isopropyl Alcohol = (C4H11O+ • Isopropyl Alcohol)

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

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

Quantity Value Units Method Reference Comment
ΔrH°134.kJ/molICRBomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
ΔrS°115.J/mol*KN/ABomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
ΔrG°99.6kJ/molICRBomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M

thiophenoxide anion + Isopropyl Alcohol = C9H13OS-

By formula: C6H5S- + C3H8O = C9H13OS-

Quantity Value Units Method Reference Comment
ΔrH°62.76 ± 0.42kJ/molTDAsSieck and Meot-ner, 1989gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°30.5 ± 1.7kJ/molTDAsSieck and Meot-ner, 1989gas phase; B

Chlorine anion + Isopropyl Alcohol = (Chlorine anion • Isopropyl Alcohol)

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

Quantity Value Units Method Reference Comment
ΔrH°81.17 ± 0.84kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrH°76.6 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
ΔrH°73.6 ± 8.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°103.J/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
ΔrS°97.1J/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°47.36kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrG°45.61kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B
ΔrG°44.8 ± 8.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M

(Chlorine anion • Isopropyl Alcohol) + Isopropyl Alcohol = (Chlorine anion • 2Isopropyl Alcohol)

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

Quantity Value Units Method Reference Comment
ΔrH°69.9 ± 1.3kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrH°65.3 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°105.J/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°32.1kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrG°34. ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion • 2Isopropyl Alcohol) + Isopropyl Alcohol = (Chlorine anion • 3Isopropyl Alcohol)

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

Quantity Value Units Method Reference Comment
ΔrH°62.3 ± 2.1kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrH°52.3 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°109.J/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°22.2kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrG°20. ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion • 3Isopropyl Alcohol) + Isopropyl Alcohol = (Chlorine anion • 4Isopropyl Alcohol)

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

Quantity Value Units Method Reference Comment
ΔrH°49.8 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°120.J/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°14. ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion • 4Isopropyl Alcohol) + Isopropyl Alcohol = (Chlorine anion • 5Isopropyl Alcohol)

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

Quantity Value Units Method Reference Comment
ΔrH°48.5 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°128.J/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°10. ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion • 5Isopropyl Alcohol) + Isopropyl Alcohol = (Chlorine anion • 6Isopropyl Alcohol)

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

Quantity Value Units Method Reference Comment
ΔrH°47.3 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°130.J/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°8.4 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion • 6Isopropyl Alcohol) + Isopropyl Alcohol = (Chlorine anion • 7Isopropyl Alcohol)

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

Quantity Value Units Method Reference Comment
ΔrH°46.4 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°131.J/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°7.1 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion • 7Isopropyl Alcohol) + Isopropyl Alcohol = (Chlorine anion • 8Isopropyl Alcohol)

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

Quantity Value Units Method Reference Comment
ΔrH°45.6 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B,M
Quantity Value Units Method Reference Comment
ΔrS°130.J/mol*KN/AHiraoka and Mizuse, 1987gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°6.7 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B

Fluorine anion + Isopropyl Alcohol = C3H7D8FO-

By formula: F- + C3H8O = C3H7D8FO-

Quantity Value Units Method Reference Comment
ΔrG°102. ± 8.4kJ/molIMREWilkinson, Szulejko, et al., 1992gas phase; Reported relative to ROH..F-, 0.5 kcal/mol weaker.; B

Fluorine anion + Isopropyl Alcohol = (Fluorine anion • Isopropyl Alcohol)

By formula: F- + C3H8O = (F- • C3H8O)

Quantity Value Units Method Reference Comment
ΔrH°140.2 ± 2.9kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrH°135. ± 8.4kJ/molIMRELarson and McMahon, 1983gas phase; B,M
ΔrH°139. ± 9.2kJ/molCIDTDeTuri and Ervin, 1999gas phase; B
Quantity Value Units Method Reference Comment
ΔrS°107.J/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°107.5kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrG°103. ± 8.4kJ/molIMRELarson and McMahon, 1983gas phase; B,M

Fluorine anion + 2Isopropyl Alcohol = C6H16FO2-

By formula: F- + 2C3H8O = C6H16FO2-

Quantity Value Units Method Reference Comment
ΔrH°87.03 ± 0.84kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°55.48kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

Fluorine anion + 3Isopropyl Alcohol = C9H24FO3-

By formula: F- + 3C3H8O = C9H24FO3-

Quantity Value Units Method Reference Comment
ΔrH°73.64 ± 0.84kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°35.0kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

Iodide + Isopropyl Alcohol = (Iodide • Isopropyl Alcohol)

By formula: I- + C3H8O = (I- • C3H8O)

Quantity Value Units Method Reference Comment
ΔrH°54.81 ± 0.84kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrH°51.0 ± 4.2kJ/molTDAsCaldwell and Kebarle, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°79.9J/mol*KPHPMSCaldwell and Kebarle, 1984gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°26.5kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrG°27. ± 4.2kJ/molTDAsCaldwell and Kebarle, 1984gas phase; B

Iodide + 2Isopropyl Alcohol = C6H16IO2-

By formula: I- + 2C3H8O = C6H16IO2-

Quantity Value Units Method Reference Comment
ΔrH°46.0 ± 1.3kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°19.5kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

Iodide + 3Isopropyl Alcohol = C9H24IO3-

By formula: I- + 3C3H8O = C9H24IO3-

Quantity Value Units Method Reference Comment
ΔrH°39.7 ± 2.9kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°14.8kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

Lithium ion (1+) + Isopropyl Alcohol = (Lithium ion (1+) • Isopropyl Alcohol)

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

Quantity Value Units Method Reference Comment
ΔrH°173. ± 7.9kJ/molCIDTRodgers and Armentrout, 2000RCD

Magnesium ion (1+) + Isopropyl Alcohol = (Magnesium ion (1+) • Isopropyl Alcohol)

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

Quantity Value Units Method Reference Comment
ΔrH°270. ± 20.kJ/molICROperti, Tews, et al., 1988gas phase; switching reaction,Thermochemical ladder(Mg+)CH3OH; M

Sodium ion (1+) + Isopropyl Alcohol = (Sodium ion (1+) • Isopropyl Alcohol)

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

Quantity Value Units Method Reference Comment
ΔrH°113. ± 4.2kJ/molCIDTArmentrout and Rodgers, 2000RCD
ΔrH°113. ± 4.6kJ/molCIDTRodgers and Armentrout, 1999RCD

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
85.4298.IMREMcMahon and Ohanessian, 2000Anchor alanine=39.89; RCD
0.00.CIDTRodgers and Armentrout, 1999RCD

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: Tanya L. Myers, Russell G. Tonkyn, Ashley M. Oeck, Tyler O. Danby, John S. Loring, Matthew S. Taubman, Stephen W. Sharpe, Jerome C. Birnbaum, and Timothy J. Johnson

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

Data compiled by: Pamela M. Chu, Franklin R. Guenther, George C. Rhoderick, and Walter J. Lafferty

Mass spectrum (electron ionization)

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

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

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

Spectrum

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Additional Data

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Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin VERIFINN
NIST MS number 289584

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Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), References, Notes

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

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

Kovats' RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillarySE-30100.508.Tarjan, Nyiredy, et al., 1989 
CapillarySE-3060.491.Tarjan, Nyiredy, et al., 1989 
CapillarySE-3080.453.Tarjan, Nyiredy, et al., 1989 
CapillarySE-30100.508.Haken and Korhonen, 1985Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-3060.491.Haken and Korhonen, 1985Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-3080.453.Haken and Korhonen, 1985Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30100.508.Haken, Madden, et al., 1985N2; Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-3060.491.Haken, Madden, et al., 1985N2; Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-3080.453.Haken, Madden, et al., 1985N2; Column length: 25. m; Column diameter: 0.33 mm
PackedSE-30100.480.Winskowski, 1983Gaschrom Q; Column length: 2. m
PackedPorapack Q200.458.Goebel, 1982N2
PackedSE-30150.447.Haken, Nguyen, et al., 1979Celatom AW silanized; Column length: 3.7 m
PackedApiezon L120.450.Bogoslovsky, Anvaer, et al., 1978Celite 545
PackedApiezon L160.444.Bogoslovsky, Anvaer, et al., 1978Celite 545
PackedApiezon L70.450.Bogoslovsky, Anvaer, et al., 1978 
PackedApolane70.446.0Riedo, Fritz, et al., 1976He, Chromosorb; Column length: 2.4 m
PackedSE-30100.477.Pías and Gascó, 1975Ar, Chromosorb W AW DMCS HP (80-100 mesh); Column length: 1. m
PackedApiezon M130.456.Golovnya and Garbuzov, 1974N2, Chromosorb W; Column length: 2.1 m
PackedApiezon L100.460.Wagaman and Smith, 1971CH4; Column length: 3. m
PackedSqualane50.476.Mira and Sanchez, 1970Chromosorb G
PackedSE-30100.490.Zarazir, Chovin, et al., 1970Chromosorb W; Column length: 2. m
PackedDC-200100.486.Rohrschneider, 1966Column length: 4. m
PackedApiezon L100.463.Rohrschneider, 1966Column length: 5. m
PackedApiezon L70.450.von Kováts, 1958Celite (40:60 Gewichtsverhaltnis)

Kovats' RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillarySE-54524.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

View large format table.

Column type Active phase I Reference Comment
CapillaryPetrocol DH-100494.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

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillarySupelcowax-1060.935.Castello, Vezzani, et al., 1991N2; Column length: 60. m; Column diameter: 0.75 mm
CapillaryOV-35160.949.Haken and Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-35180.957.Haken and Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-35160.949.Haken, Madden, et al., 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-35180.957.Haken, Madden, et al., 1985N2; Column length: 25. m; Column diameter: 0.32 mm
PackedCarbowax 20M75.962.Goebel, 1982N2, Kieselgur (60-100 mesh); Column length: 2. m
PackedCarbowax 20M100.885.Kevei and Kozma, 1976Chromosorb
PackedPEG-2000150.963.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000152.935.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000179.928.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000200.922.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedCarbowax 20M100.912.Zarazir, Chovin, et al., 1970Chromosorb W; Column length: 2. m
PackedPolyethylene Glycol 4000100.932.Bonastre and Grenier, 1968Chromosorb P; Column length: 6. m
PackedPolyethylene Glycol 4000120.920.Bonastre and Grenier, 1968Chromosorb P; Column length: 6. m
PackedPolyethylene Glycol 4000140.910.Bonastre and Grenier, 1968Chromosorb P; Column length: 6. m
PackedPolyethylene Glycol 400080.940.Bonastre and Grenier, 1968Chromosorb P; Column length: 6. m
PackedCarbowax 20M100.903.Rohrschneider, 1966Column length: 2. m

Kovats' RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryCBP-20927.Shimadzu, 200325. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 200. C

Kovats' RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
PackedCarbowax 20M891.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
CapillaryCP-Sil 8CB-MS524.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
CapillaryCP-Sil 8CB-MS524.Bruna, Hierro, et al., 200360. m/0.25 mm/0.25 μm, 40. C @ 2. min, 4. K/min, 280. C @ 5. min
CapillaryPetrocol DH495.4Censullo, Jones, et al., 200350. m/0.25 mm/0.5 μm, He, 35. C @ 10. min, 3. K/min, 200. C @ 10. min
CapillaryPetrocol DH500.Censullo, Jones, et al., 200350. m/0.25 mm/0.5 μm, He, 35. C @ 10. min, 3. K/min, 200. C @ 10. min
CapillaryCP Sil 5 CB481.Pino, Almora, et al., 200360. m/0.32 mm/0.25 μm, He, 60. C @ 10. min, 3. K/min, 280. C @ 60. min
CapillaryDB-5515.8Xu, van Stee, et al., 200330. m/0.25 mm/1. μm, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C
CapillarySE-30515.Korhonen, 19846. K/min; Column length: 25. m; Column diameter: 0.3 mm; Tstart: 50. 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-5MS510.Bonaiti, Irlinger, et al., 200530. m/0.25 mm/0.25 μm, He; Program: 5C(8min) => 3C/min => 20C => 10C/min => 150C(10min)
CapillaryHP-5510.Engel, Baty, et al., 200230. m/0.25 mm/0.25 μm, He; Program: 5C(5min) => 3C/min => 20C => 5C/min => 100C 15C/min => 150C (5min)
PackedSE-30483.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-Innowax884.Quijano, Linares, et al., 200760. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 220. C @ 10. min
CapillaryDB-Wax920.Malliaa, Fernandez-Garcia, et al., 200560. m/0.32 mm/1. μm, He, 45. C @ 1. min, 5. K/min, 250. C @ 12. min
CapillaryDB-Wax935.Malliaa, Fernandez-Garcia, et al., 200560. m/0.32 mm/1. μm, He, 45. C @ 1. min, 5. K/min, 250. C @ 12. min
CapillaryCarbowax941.4Censullo, Jones, et al., 200360. m/0.25 mm/0.5 μm, He, 50. C @ 10. min, 5. K/min, 250. C @ 10. min
CapillaryFFAP950.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-Wax921.Shimoda, Wu, et al., 199660. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 230. C
CapillaryDB-Wax912.Shimoda, Shigematsu, et al., 199560. m/0.25 mm/0.25 μm, 2. K/min; Tstart: 50. C; Tend: 230. C
CapillaryCarbowax 20M884.Suárez and Duque, 19912. K/min; Column length: 25. m; Column diameter: 0.31 mm; Tstart: 50. C; Tend: 200. C
CapillaryCarbowax 20M888.Suárez and Duque, 19912. K/min; Column length: 25. m; Column diameter: 0.31 mm; Tstart: 50. C; Tend: 200. C
CapillaryDB-Wax932.Fröhlich, Duque, et al., 198930. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; Tend: 250. C
CapillaryDB-Wax938.Fröhlich, Duque, et al., 198930. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; Tend: 250. C
CapillaryOV-351909.Korhonen, 19846. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 50. C

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

View large format table.

Column type Active phase I Reference Comment
CapillarySupelcowax-10975.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-10970.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-Wax935.Radovic, Careri, et al., 200130. m/0.25 mm/0.25 μm; Program: 30C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)
CapillaryFFAP924.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
CapillaryDB-160.480.Shimadzu, 2003, 260. m/0.32 mm/1. μm, He
PackedSynachrom150.472.Dufka, Malinsky, et al., 1971Helium, Synachrom (60-80 mesh); Column length: 1.5 m
PackedSynachrom150.474.Dufka, Malinsky, et al., 1971Helium, Synachrom (60-80 mesh); Column length: 1.5 m
PackedDC-400150.456.Anderson, 1968Helium, Gas-Pak (60-80 mesh); Column length: 3.0 m

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
PackedSE-30530.MHA, 9999Nitrogen, Chromosorb G AW DMCS (80-100 mesh); Column length: 2. m; Tstart: 100. C; Tend: 300. C
CapillaryPolydimethyl siloxane: CP-Sil 5 CB496.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 DH493.Supelco, 2012100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min
CapillarySPB-5506.Vasta, Ratel, et al., 200760. m/0.32 mm/1. μm, 40. C @ 5. min, 3. K/min, 230. C @ 5. min
CapillaryHP-5483.4Leffingwell and Alford, 200560. m/0.32 mm/0.25 μm, He, 30. C @ 2. min, 2. K/min, 260. C @ 28. min
CapillaryMDN-5514.van Loon, Linssen, et al., 200560. m/0.25 mm/0.25 μm, He, 40. C @ 4. min, 4. K/min, 270. C @ 5. min
CapillaryHP-5500.García, Martín, et al., 200060. m/0.32 mm/1. μm, He, 3. K/min; Tstart: 40. C; Tend: 240. C
CapillaryBP-1488.Health Safety Executive, 200050. m/0.22 mm/0.75 μm, He, 5. K/min; Tstart: 50. C; Tend: 200. C
CapillaryOV-101500.Anker, Jurs, et al., 19902. K/min; Column length: 50. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C
CapillaryOV-101502.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
CapillarySF-96516.Donetzhuber, Johansson, et al., 1976Nitrogen, 3. K/min, 130. C @ 40. min; Column length: 111. m; Column diameter: 0.76 mm; Initial hold: 8. min

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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5516.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)
CapillaryMethyl Silicone477.Chen and Feng, 2007Program: not specified
CapillaryMethyl Silicone477.Kou, Zhang, et al., 2006Program: not specified
CapillaryMethyl Silicone498.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)
CapillaryHP-5499.Thierry, Maillard, et al., 200560. m/0.32 mm/1. μm; Program: not specified
CapillaryMethyl Silicone477.Fu and Wang, 2004Program: not specified
CapillarySE-30500.Vinogradov, 2004Program: not specified
CapillaryPolydimethyl siloxane511.Spanier, Shahidi, et al., 2001Program: not specified
CapillaryMethyl Silicone486.Zenkevich, 1999Program: not specified
CapillaryPolydimethyl siloxanes486.Zenkevich, 1998Program: not specified
CapillarySPB-1474.Flanagan, Streete, et al., 199760. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
CapillaryMethyl Silicone486.Zenkevich, Korolenko, et al., 1995Program: not specified
CapillarySPB-1474.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-1530.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 μm, Helium; Program: not specified
CapillaryDB-1475.Binder, Flath, et al., 1989Column length: 60. m; Column diameter: 0.32 mm; Program: not specified
CapillaryCP Sil 8 CB491.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
Capillarymethyl silicone oil with 5% Igepal481.Schultz, Flath, et al., 1988Column length: 150. m; Column diameter: 0.75 mm; Program: not specified
Capillarymethyl silicone oil with 5% Igepal503.Schultz, Flath, et al., 1988Column length: 150. m; Column diameter: 0.75 mm; Program: not specified
CapillaryDB-1475.Takeoka, Flath, et al., 198830. m/0.25 mm/0.25 μm, H2; Program: 30C (2min) => 2C/min => 150C => 4C/min => 250C
CapillaryOV-101500.Shibamoto, 1987Program: not specified

Normal alkane RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryCarbowax 20M100.917.Sun, Siepmann, et al., 200630. m/0.25 mm/0.25 μm, Helium
CapillaryCarbowax 20M60.928.Sun, Siepmann, et al., 200630. m/0.25 mm/0.25 μm, Helium
CapillaryCarbowax 20M80.922.Sun, Siepmann, et al., 200630. m/0.25 mm/0.25 μm, Helium
CapillaryDB-Wax60.948.Shimadzu, 2003, 250. m/0.32 mm/1. μm, He

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax923.Hayata, Sakamoto, et al., 200260. m/0.25 mm/0.25 μm, He, 40. C @ 10. min, 3. K/min, 220. C @ 10. min
CapillaryHP-FFAP884.Qian and Reineccius, 200225. m/0.32 mm/0.52 μm, 60. C @ 1. min, 5. K/min, 240. C @ 5. min
CapillaryTC-Wax925.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-Wax926.Chyau and Mau, 199960. m/0.25 mm/0.25 μm, N2, 3. K/min; Tstart: 40. C; Tend: 210. C
CapillaryCarbowax 20M884.Anker, Jurs, et al., 19902. K/min; Column length: 80. m; Column diameter: 0.2 mm; Tstart: 70. C; Tend: 170. C
CapillaryDB-Wax917.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
CapillaryFFAP885.Vernin, Metzger, et al., 1988He, 60. C @ 5. min, 2. K/min; Column length: 50. m; Column diameter: 0.28 mm; Tend: 240. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax921.Gyawali and Kim, 201260. m/0.20 mm/0.25 μm, Helium; Program: 40 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 220 0C (20 min) 5 0C/min -> 230 0C
CapillaryDB-Wax912.Welke, Manfroi, et al., 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryDB-Wax925.Welke, Manfroi, et al., 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryDB-Wax938.Welke, Manfroi, et al., 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryDB-Wax947.Kadar, Juan-Borras, et al., 201060. m/0.32 mm/1.0 μm, Helium; Program: 40 0C (2 min) 4 0C/min -> 190 0C (11 min) 8 0C/min -> 220 0C (8 min)
CapillarySupelcowax-10970.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-10975.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)
CapillaryDB-Wax910.Mattheis, Fan, et al., 200560. m/0.25 mm/0.25 μm, He; Program: 35C(5min) => 2C/min => 50C => 5C/min => 200C (5min)
CapillaryDB-Wax933.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 20M884.Vinogradov, 2004Program: not specified
CapillaryPolyethylene Glycol906.Zenkevich, Korolenko, et al., 1995Program: not specified
CapillaryDB-Wax931.Mattheis, Buchanan, et al., 199260. m/0.25 mm/0.25 μm, He; Program: 35C (5min) => 2C/min => 50C => 5C/min => 200C(5min)
CapillaryDB-Wax931.Mattheis, Buchanan, et al., 199260. m/0.25 mm/0.25 μm, He; Program: 35C (5min) => 2C/min => 50C => 5C/min => 200C(5min)
CapillaryDB-Wax942.Peng, Yang, et al., 1991Program: not specified
CapillaryDB-Wax921.Binder, Flath, et al., 1989Column length: 60. m; Column diameter: 0.32 mm; Program: not specified
CapillaryCarbowax 20M884.Shibamoto, 1987Program: not specified
CapillaryCarbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.962.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryCarbowax 20M908.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, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes

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

Buckley and Herington, 1965
Buckley, E.; Herington, E.F.G., Equilibria in some secondary alcohol + hydrogen + ketone systems, Trans. Faraday Soc., 1965, 61, 1618-1625. [all data]

Chao and Rossini, 1965
Chao, J.; Rossini, F.D., Heats of combustion, formation, and isomerization of nineteen alkanols, J. Chem. Eng. Data, 1965, 10, 374-379. [all data]

Snelson and Skinner, 1961
Snelson, A.; Skinner, H.A., Heats of combustion: sec-propanol, 1,4-dioxan, 1,3-dioxan and tetrahydropyran, Trans. Faraday Soc., 1961, 57, 2125-2131. [all data]

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

Thermodynamics Research Center, 1997
Thermodynamics Research Center, Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]

Green J.H.S., 1963
Green J.H.S., Thermodynamic properties of organic oxygen compounds. Part 12. Vibrational assignment and calculated thermodynamic properties 0-1000 K of isopropyl alcohol, Trans. Faraday Soc., 1963, 59, 1559-1563. [all data]

Chao J., 1986
Chao J., Ideal gas thermodynamic properties of simple alkanols, Int. J. Thermophys., 1986, 7, 431-442. [all data]

Chao J., 1986, 2
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]

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

Parks G.S., 1940
Parks G.S., Some heat capacity data for isopropyl alcohol vapor, J. Chem. Phys., 1940, 8, 429. [all data]

Hales J.L., 1963
Hales J.L., Thermodynamic properties of organic oxygen compounds. Part 10. Measurement of vapor heat capacities and latent heats of vaporization of isopropyl alcohol, Trans. Faraday Soc., 1963, 59, 1544-1554. [all data]

Berman N.S., 1964
Berman N.S., Vapor heat capacity and heat of vaporization of 2-propanol, J. Chem. Eng. Data, 1964, 9, 218-219. [all data]

Ramond, Davico, et al., 2000
Ramond, T.M.; Davico, G.E.; Schwartz, R.L.; Lineberger, W.C., Vibronic structure of alkoxy radicals via photoelectron spectroscopy, J. Chem. Phys., 2000, 112, 3, 1158-1169, https://doi.org/10.1063/1.480767 . [all data]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]

DeTuri and Ervin, 1999
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Notes

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