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2-Propanol, 2-methyl-

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, References, Notes

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

Data compiled as indicated in comments:
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
Deltafgas-312.6 ± 0.88kJ/molEqkWiberg and Hao, 1991Heat of hydration; ALS
Deltafgas-313. ± 1.5kJ/molCcbSkinner and Snelson, 1960ALS
Deltafgas-309.7kJ/molN/ATaft and Riesz, 1955Value computed using «DELTA»fHliquid° value of -356.0 kj/mol from Taft and Riesz, 1955 and «DELTA»vapH° value of 46.3 kj/mol from Skinner and Snelson, 1960.; DRB

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
35.8550.Thermodynamics Research Center, 1997p=1 bar. Selected values of S(T) and Cp(T) are in good agreement with those of [ Beynon E.T., 1963] because of using practically the same molecular constants in two calculations. Please also see Chao J., 1986.; GT
52.73100.
70.40150.
85.29200.
106.29273.15
113.63 ± 0.21298.15
114.18300.
142.99400.
168.39500.
189.65600.
207.49700.
222.71800.
235.85900.
247.261000.
257.201100.
265.851200.
273.371300.
279.921400.
285.621500.
296.91750.
304.92000.
310.72250.
314.92500.
318.02750.
320.33000.

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
133.4 ± 1.1360.55Stromsoe 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 1.13 J/mol*K. The accuracy of the experimental heat capacities [ Stromsoe E., 1970] is estimated as less than 0.3%. Please also see Beynon E.T., 1963.; GT
132.63365.15
136.2 ± 1.1372.85
137.95383.15
139.2 ± 1.1385.65
142.88401.15
145.1 ± 1.1410.85
148.07419.15
153.55437.15
151.9 ± 1.1439.85
152.2 ± 1.1441.45
159.1 ± 1.1470.75
165.7 ± 1.1499.25
172.6 ± 1.1528.75
183.4 ± 1.1575.05
187.3 ± 1.1591.55

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, References, Notes

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

Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafliquid-359.2 ± 0.84kJ/molEqkWiberg and Hao, 1991Heat of hydration; ALS
Deltafliquid-359.3 ± 0.79kJ/molCcbSkinner and Snelson, 1960ALS
Deltafliquid-356.kJ/molEqkTaft and Riesz, 1955ALS
Quantity Value Units Method Reference Comment
Deltacliquid-2644.0 ± 0.79kJ/molCcbSkinner and Snelson, 1960Corresponding «DELTA»fliquid = -359.2 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid189.5J/mol*KN/AParks, Kelley, et al., 1929Extrapolation bloew 90 K, 45.19 J/mol*K. Revision of previous data.; DH
liquid197.5J/mol*KN/AParks and Anderson, 1926Extrapolation below 90 K, 53.35 J/mol*K.; DH
Quantity Value Units Method Reference Comment
Deltacsolid-2633.kJ/molCcbRaley, Rust, et al., 1948Corresponding «DELTA»fsolid = -370. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
solid,1 bar170.87J/mol*KN/AOetting F.L., 1963crystaline, I phase; DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
215.37298.15Caceres-Alonso, Costas, et al., 1988DH
221.88299.15Okano, Ogawa, et al., 1988DH
210.298.De Visser, Perron, et al., 1977DH
210.298.15De Visser, Perron, et al., 1977, 2T = 298.15, 313.15, 328.15 K.; DH
224.9298.15Murthy and Subrahmanyam, 1977DH
218.6298.15Skold, Suurkuusk, et al., 1976DH
224.7300.Parks and Anderson, 1926T = 87 to 300 K. Value is unsmoothed experimental datum.; DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
146.11298.15Oetting F.L., 1963crystaline, I phase; T = 15 to 330 K.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, References, Notes

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

Data compiled as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis

Quantity Value Units Method Reference Comment
Tboil355.5 ± 0.7KAVGN/AAverage of 65 out of 70 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus298.3 ± 0.7KAVGN/AAverage of 15 out of 17 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple298.96KN/AWilhoit, Chao, et al., 1985Crystal phase 1 phase; Uncertainty assigned by TRC = 0.06 K; TRC
Ttriple298.97KN/AOetting, 1963Crystal phase 1 phase; Uncertainty assigned by TRC = 0.06 K; TRC
Ttriple298.5KN/AParks and Anderson, 1926, 2Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Tc506.2 ± 0.3KN/AGude and Teja, 1995 
Tc506.2KN/AMajer and Svoboda, 1985 
Tc506.2KN/AAmbrose and Townsend, 1963TRC
Tc508.9KN/AKrone and Johnson, 1956TRC
Tc508.1KN/APawlewski, 1883TRC
Quantity Value Units Method Reference Comment
Pc39.7 ± 0.2barN/AGude and Teja, 1995 
Pc39.72barN/AAmbrose and Townsend, 1963TRC
Pc42.32barN/AKrone and Johnson, 1956TRC
Quantity Value Units Method Reference Comment
Vc0.275l/molN/AGude and Teja, 1995 
Quantity Value Units Method Reference Comment
rhoc3.64 ± 0.02mol/lN/AGude and Teja, 1995 
rhoc3.643mol/lN/AAmbrose and Townsend, 1963TRC
rhoc3.48mol/lN/AKrone and Johnson, 1956TRC
Quantity Value Units Method Reference Comment
Deltavap46. ± 1.kJ/molAVGN/AAverage of 11 values; Individual data points
Quantity Value Units Method Reference Comment
Deltasub41.kJ/molVRaley, Rust, et al., 1948ALS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
39.07355.5N/AMajer and Svoboda, 1985 
42.7338.N/AOrtega, Espiau, et al., 2003Based on data from 323. - 368. K.; AC
43.4336.N/AAucejo, Loras, et al., 1999Based on data from 321. - 359. K.; AC
46.2314.AStephenson and Malanowski, 1987Based on data from 299. - 375. K.; AC
41.4355.AStephenson and Malanowski, 1987Based on data from 347. - 363. K.; AC
43.2371.AStephenson and Malanowski, 1987Based on data from 356. - 480. K.; AC
41.4355.AStephenson and Malanowski, 1987Based on data from 347. - 363. K.; AC
39.8372.AStephenson and Malanowski, 1987Based on data from 357. - 461. K.; AC
33.6468.AStephenson and Malanowski, 1987Based on data from 453. - 506. K.; AC
42.6344.EBStephenson and Malanowski, 1987Based on data from 329. - 363. K. See also Ambrose, Counsell, et al., 1970 and Beynon and McKetta, 1963.; AC
46.12 ± 0.05303.2CMajer, Svoboda, et al., 1984ALS
46.2 ± 0.1303.CMajer, Svoboda, et al., 1984AC
44.9 ± 0.1313.CMajer, Svoboda, et al., 1984AC
43.0 ± 0.1328.CMajer, Svoboda, et al., 1984AC
41.0 ± 0.1343.CMajer, Svoboda, et al., 1984AC
37.2 ± 0.1368.CMajer, Svoboda, et al., 1984AC
44.7321.N/ASachek, Peshchenko, et al., 1982Based on data from 306. - 357. K.; AC
46.5308.N/AWilhoit and Zwolinski, 1973Based on data from 293. - 376. K.; AC
44.2328.N/ABrown, Fock, et al., 1969Based on data from 313. - 355. K. See also Boublik, Fried, et al., 1984.; AC
38.7388.N/AAmbrose and Townsend, 1963, 2Based on data from 373. - 506. K.; AC
42.1348.EBBeynon and McKetta, 1963Based on data from 333. - 363. K.; AC
42.5 ± 0.1330.CBeynon and McKetta, 1963AC
41.3 ± 0.1340.CBeynon and McKetta, 1963AC
40.4 ± 0.1346.CBeynon and McKetta, 1963AC
40.0 ± 0.1349.CBeynon and McKetta, 1963AC
39.0 ± 0.1356.CBeynon and McKetta, 1963AC
44.7323.N/AParks and Barton, 1928Based on data from 293. - 363. K.; AC

Enthalpy of vaporization

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

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Temperature (K) 298. - 385.
A (kJ/mol) 69.08
alpha -0.3583
beta 0.678
Tc (K) 506.2
ReferenceMajer and Svoboda, 1985

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
312.66 - 355.564.497741174.869-93.92Brown, Fock, et al., 1969Coefficents calculated by NIST from author's data.
376.42 - 506.4.263831075.578-102.588Ambrose and Townsend, 1963, 3Coefficents calculated by NIST from author's data.
330.6 - 363.4.593231225.649-88.316Beynon and McKetta, 1963Coefficents calculated by NIST from author's data.
333.93 - 362.714.332581095.084-102.409Biddiscombe, Collerson, et al., 1963Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
51.3275.AStull, 1947Based on data from 253. - 298. K.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
6.7299.Domalski and Hearing, 1996AC
6.782298.5Parks and Anderson, 1926DH

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
22.72298.5Parks and Anderson, 1926DH

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
2.9286.1Domalski and Hearing, 1996CAL
1.66294.5
22.42299.0

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.828286.14crystaline, IIcrystaline, IOetting F.L., 1963DH
0.490294.47crystaline, IIIcrystaline, IOetting F.L., 1963Metastable transition, not always reproducible, c,III,metastable form.; DH
6.7028298.97crystaline, IliquidOetting F.L., 1963DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
2.89286.14crystaline, IIcrystaline, IOetting F.L., 1963DH
1.66294.47crystaline, IIIcrystaline, IOetting F.L., 1963Metastable; DH
22.42298.97crystaline, IliquidOetting F.L., 1963DH

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


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, References, Notes

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

Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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

Individual Reactions

Chlorine anion + 2-Propanol, 2-methyl- = (Chlorine anion bullet 2-Propanol, 2-methyl-)

By formula: Cl- + C4H10O = (Cl- bullet C4H10O)

Quantity Value Units Method Reference Comment
Deltar77. ± 20.kJ/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar115.J/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Deltar100.J/mol*KPHPMSSieck, 1985gas phase; M
Deltar97.9J/mol*KN/ALarson and McMahon, 1984gas phase; Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
Deltar110.J/mol*KPHPMSKebarle, 1977gas phase; M
Deltar43.1J/mol*KN/AYamdagni and Kebarle, 1971gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar48.45kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar51.5 ± 1.3kJ/molTDAsSieck, 1985gas phase; B
Deltar48.53kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B
Deltar46.4 ± 8.4kJ/molIMRELarson and McMahon, 1984, 2gas phase; B,M
Deltar46.4 ± 8.4kJ/molTDAsYamdagni and Kebarle, 1971gas phase; B

C4H9O- + Hydrogen cation = 2-Propanol, 2-methyl-

By formula: C4H9O- + H+ = C4H10O

Quantity Value Units Method Reference Comment
Deltar1568. ± 4.2kJ/molD-EARamond, Davico, et al., 2000gas phase; B
Deltar1567. ± 8.8kJ/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar1573.2 ± 2.9kJ/molCIDTDeTuri and Ervin, 1999gas phase; B
Deltar1566. ± 8.4kJ/molCIDCHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
Quantity Value Units Method Reference Comment
Deltar1540. ± 4.6kJ/molH-TSRamond, Davico, et al., 2000gas phase; B
Deltar1540. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar1538. ± 8.8kJ/molH-TSHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B

C4H9O- + 2-Propanol, 2-methyl- = (C4H9O- bullet 2-Propanol, 2-methyl-)

By formula: C4H9O- + C4H10O = (C4H9O- bullet C4H10O)

Quantity Value Units Method Reference Comment
Deltar117. ± 12.kJ/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
Deltar123.J/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
Deltar78.7 ± 8.4kJ/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

Fluorine anion + 2-Propanol, 2-methyl- = (Fluorine anion bullet 2-Propanol, 2-methyl-)

By formula: F- + C4H10O = (F- bullet C4H10O)

Quantity Value Units Method Reference Comment
Deltar139.7 ± 2.9kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar139. ± 8.4kJ/molIMRELarson and McMahon, 1983gas phase; B,M
Deltar137. ± 9.2kJ/molCIDTDeTuri and Ervin, 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar109.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
Deltar108.8kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar107. ± 8.4kJ/molIMRELarson and McMahon, 1983gas phase; B,M

C3H9Sn+ + 2-Propanol, 2-methyl- = (C3H9Sn+ bullet 2-Propanol, 2-methyl-)

By formula: C3H9Sn+ + C4H10O = (C3H9Sn+ bullet C4H10O)

Quantity Value Units Method Reference Comment
Deltar153.kJ/molPHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar136.J/mol*KN/AStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
82.0525.PHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

C5H11O- + 2-Propanol, 2-methyl- = (C5H11O- bullet 2-Propanol, 2-methyl-)

By formula: C5H11O- + C4H10O = (C5H11O- bullet C4H10O)

Quantity Value Units Method Reference Comment
Deltar115. ± 12.kJ/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
Deltar78.2 ± 8.4kJ/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

(Chlorine anion bullet 22-Propanol, 2-methyl-) + 2-Propanol, 2-methyl- = (Chlorine anion bullet 32-Propanol, 2-methyl-)

By formula: (Cl- bullet 2C4H10O) + C4H10O = (Cl- bullet 3C4H10O)

Quantity Value Units Method Reference Comment
Deltar66.1 ± 1.3kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar57.3 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar130.J/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar21.2kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar18. ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion bullet 2-Propanol, 2-methyl-) + 2-Propanol, 2-methyl- = (Chlorine anion bullet 22-Propanol, 2-methyl-)

By formula: (Cl- bullet C4H10O) + C4H10O = (Cl- bullet 2C4H10O)

Quantity Value Units Method Reference Comment
Deltar70.71 ± 0.84kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar62.3 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar108.J/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar30.8kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar30. ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion bullet 52-Propanol, 2-methyl-) + 2-Propanol, 2-methyl- = (Chlorine anion bullet 62-Propanol, 2-methyl-)

By formula: (Cl- bullet 5C4H10O) + C4H10O = (Cl- bullet 6C4H10O)

Quantity Value Units Method Reference Comment
Deltar47.7 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B,M
Quantity Value Units Method Reference Comment
Deltar130.J/mol*KN/AHiraoka and Mizuse, 1987gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar7.5 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B

CH6N+ + 2-Propanol, 2-methyl- = (CH6N+ bullet 2-Propanol, 2-methyl-)

By formula: CH6N+ + C4H10O = (CH6N+ bullet C4H10O)

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

Quantity Value Units Method Reference Comment
Deltar95.8kJ/molPHPMSMeot-Ner, 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KN/AMeot-Ner, 1984gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
41.8495.PHPMSMeot-Ner, 1984gas phase; Entropy change calculated or estimated; M

Iodide + 2-Propanol, 2-methyl- = (Iodide bullet 2-Propanol, 2-methyl-)

By formula: I- + C4H10O = (I- bullet C4H10O)

Quantity Value Units Method Reference Comment
Deltar54.8 ± 1.3kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar50.6 ± 4.2kJ/molTDAsCaldwell and Kebarle, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar78.2J/mol*KPHPMSCaldwell and Kebarle, 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar25.7kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar27. ± 4.2kJ/molTDAsCaldwell and Kebarle, 1984gas phase; B

CN- + 2-Propanol, 2-methyl- = (CN- bullet 2-Propanol, 2-methyl-)

By formula: CN- + C4H10O = (CN- bullet C4H10O)

Quantity Value Units Method Reference Comment
Deltar76. ± 15.kJ/molIMRELarson and McMahon, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar104.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
Deltar44.8 ± 9.6kJ/molIMRELarson and McMahon, 1987gas phase; B,M

(Chlorine anion bullet 32-Propanol, 2-methyl-) + 2-Propanol, 2-methyl- = (Chlorine anion bullet 42-Propanol, 2-methyl-)

By formula: (Cl- bullet 3C4H10O) + C4H10O = (Cl- bullet 4C4H10O)

Quantity Value Units Method Reference Comment
Deltar53.1 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar131.J/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar14. ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion bullet 42-Propanol, 2-methyl-) + 2-Propanol, 2-methyl- = (Chlorine anion bullet 52-Propanol, 2-methyl-)

By formula: (Cl- bullet 4C4H10O) + C4H10O = (Cl- bullet 5C4H10O)

Quantity Value Units Method Reference Comment
Deltar49.8 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar135.J/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar9.2 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B

HS- + 2-Propanol, 2-methyl- = (HS- bullet 2-Propanol, 2-methyl-)

By formula: HS- + C4H10O = (HS- bullet C4H10O)

Quantity Value Units Method Reference Comment
Deltar70.3 ± 1.3kJ/molTDAsSieck and Meot-ner, 1989gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar83.3J/mol*KPHPMSSieck and Meot-ner, 1989gas phase; M
Quantity Value Units Method Reference Comment
Deltar45.6 ± 5.0kJ/molTDAsSieck and Meot-ner, 1989gas phase; B

Nitrogen oxide anion + 2-Propanol, 2-methyl- = (Nitrogen oxide anion bullet 2-Propanol, 2-methyl-)

By formula: NO2- + C4H10O = (NO2- bullet C4H10O)

Quantity Value Units Method Reference Comment
Deltar82.01 ± 0.84kJ/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar123.J/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar45.2 ± 1.3kJ/molTDAsSieck, 1985gas phase; B

cyclopentadienide anion + 2-Propanol, 2-methyl- = (cyclopentadienide anion bullet 2-Propanol, 2-methyl-)

By formula: C5H5- + C4H10O = (C5H5- bullet C4H10O)

Quantity Value Units Method Reference Comment
Deltar71.1 ± 4.2kJ/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar134.J/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar31. ± 4.2kJ/molTDAsMeot-ner, 1988gas phase; B

Sodium ion (1+) + 2-Propanol, 2-methyl- = (Sodium ion (1+) bullet 2-Propanol, 2-methyl-)

By formula: Na+ + C4H10O = (Na+ bullet C4H10O)

Quantity Value Units Method Reference Comment
Deltar117. ± 4.2kJ/molCIDTRodgers and Armentrout, 2000RCD
Deltar116. ± 4.2kJ/molCIDTRodgers and Armentrout, 1999RCD

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
89.5298.IMREMcMahon and Ohanessian, 2000Anchor alanine=39.89; RCD

Fluorine anion + 22-Propanol, 2-methyl- = C8H20FO2-

By formula: F- + 2C4H10O = C8H20FO2-

Quantity Value Units Method Reference Comment
Deltar92.0 ± 1.7kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar56.86kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

thiophenoxide anion + 2-Propanol, 2-methyl- = C10H15OS-

By formula: C6H5S- + C4H10O = C10H15OS-

Quantity Value Units Method Reference Comment
Deltar61.09 ± 0.42kJ/molTDAsSieck and Meot-ner, 1989gas phase; B
Quantity Value Units Method Reference Comment
Deltar30.1 ± 2.1kJ/molTDAsSieck and Meot-ner, 1989gas phase; B

Iodide + 22-Propanol, 2-methyl- = C8H20IO2-

By formula: I- + 2C4H10O = C8H20IO2-

Quantity Value Units Method Reference Comment
Deltar47.3 ± 1.7kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar18.1kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

Bromine anion + 22-Propanol, 2-methyl- = C8H20BrO2-

By formula: Br- + 2C4H10O = C8H20BrO2-

Quantity Value Units Method Reference Comment
Deltar54.0 ± 1.7kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar23.6kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

Bromine anion + 32-Propanol, 2-methyl- = C12H30BrO3-

By formula: Br- + 3C4H10O = C12H30BrO3-

Quantity Value Units Method Reference Comment
Deltar48.5 ± 2.1kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar18.1kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

Bromine anion + 2-Propanol, 2-methyl- = C4H10BrO-

By formula: Br- + C4H10O = C4H10BrO-

Quantity Value Units Method Reference Comment
Deltar66.11 ± 0.84kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar35.9kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

Fluorine anion + 32-Propanol, 2-methyl- = C12H30FO3-

By formula: F- + 3C4H10O = C12H30FO3-

Quantity Value Units Method Reference Comment
Deltar76.6 ± 4.2kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar32.7kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

C6H5NO2- + 2-Propanol, 2-methyl- = (C6H5NO2- bullet 2-Propanol, 2-methyl-)

By formula: C6H5NO2- + C4H10O = (C6H5NO2- bullet C4H10O)

Quantity Value Units Method Reference Comment
Deltar68.6kJ/molPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar114.J/mol*KPHPMSSieck, 1985gas phase; M

Fluorine anion + 2-Propanol, 2-methyl- = C4H9D10FO-

By formula: F- + C4H10O = C4H9D10FO-

Quantity Value Units Method Reference Comment
Deltar105. ± 8.4kJ/molIMREWilkinson, Szulejko, et al., 1992gas phase; Reported relative to ROH..F-, 0.5 kcal/mol weaker.; B

1-Propene, 2-methyl- + Water = 2-Propanol, 2-methyl-

By formula: C4H8 + H2O = C4H10O

Quantity Value Units Method Reference Comment
Deltar-53.451kJ/molEqkEberz and Lucas, 1934gas phase; solvent: Aqueous; Heat of hydration; ALS

Ketene + 2-Propanol, 2-methyl- = Acetic acid, 1,1-dimethylethyl ester

By formula: C2H2O + C4H10O = C6H12O2

Quantity Value Units Method Reference Comment
Deltar-98.28kJ/molCmRice and Greenberg, 1934liquid phase; ALS

2-Propanol, 2-methyl- = 1-Propene, 2-methyl- + Water

By formula: C4H10O = C4H8 + H2O

Quantity Value Units Method Reference Comment
Deltar52.7kJ/molEqkTaft and Riesz, 1955liquid phase; ALS

Lithium ion (1+) + 2-Propanol, 2-methyl- = (Lithium ion (1+) bullet 2-Propanol, 2-methyl-)

By formula: Li+ + C4H10O = (Li+ bullet C4H10O)

Quantity Value Units Method Reference Comment
Deltar178. ± 10.kJ/molCIDTRodgers and Armentrout, 2000RCD

Henry's Law data

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

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

Data compiled by: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/kg*bar)
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/kg*bar) d(ln(kH))/d(1/T) (K) Method Reference Comment
70.8300.MN/A 
83. MButler, Ramchandani, et al., 1935 

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, References, Notes

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

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Quantity Value Units Method Reference Comment
IE (evaluated)9.90 ± 0.03eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)802.6kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity772.2kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
9.90 ± 0.03PIPECOShao, Baer, et al., 1988LL
9.97 ± 0.02PECocksey, Eland, et al., 1971LLK
10.23PEBaker, Betteridge, et al., 1971LLK
10.23PEBaker, Betteridge, et al., 1971LLK
10.26PEBenoit and Harrison, 1977Vertical value; LLK
10.25 ± 0.03PEPeel and Willett, 1975Vertical value; LLK
10.25PERobin and Kuebler, 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C3H7O+9.86CH3EILossing, 1977LLK
C3H7O+10.1 ± 0.2CH3EIBeauchamp, Caserio, et al., 1974LLK
C3H7O+9.87 ± 0.03CH3PIPotapov and Sorokin, 1972LLK
C3H7O+9.87CH3EIPotapov and Sorokin, 1970RDSH
C3H7O+10.2CH3EIHarrison, Ivko, et al., 1966RDSH

De-protonation reactions

C4H9O- + Hydrogen cation = 2-Propanol, 2-methyl-

By formula: C4H9O- + H+ = C4H10O

Quantity Value Units Method Reference Comment
Deltar1568. ± 4.2kJ/molD-EARamond, Davico, et al., 2000gas phase; B
Deltar1567. ± 8.8kJ/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar1573.2 ± 2.9kJ/molCIDTDeTuri and Ervin, 1999gas phase; B
Deltar1566. ± 8.4kJ/molCIDCHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
Quantity Value Units Method Reference Comment
Deltar1540. ± 4.6kJ/molH-TSRamond, Davico, et al., 2000gas phase; B
Deltar1540. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar1538. ± 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, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, References, Notes

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

Data compiled as indicated in comments:
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 + 2-Propanol, 2-methyl- = C4H10BrO-

By formula: Br- + C4H10O = C4H10BrO-

Quantity Value Units Method Reference Comment
Deltar66.11 ± 0.84kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar35.9kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

Bromine anion + 22-Propanol, 2-methyl- = C8H20BrO2-

By formula: Br- + 2C4H10O = C8H20BrO2-

Quantity Value Units Method Reference Comment
Deltar54.0 ± 1.7kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar23.6kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

Bromine anion + 32-Propanol, 2-methyl- = C12H30BrO3-

By formula: Br- + 3C4H10O = C12H30BrO3-

Quantity Value Units Method Reference Comment
Deltar48.5 ± 2.1kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar18.1kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

CH6N+ + 2-Propanol, 2-methyl- = (CH6N+ bullet 2-Propanol, 2-methyl-)

By formula: CH6N+ + C4H10O = (CH6N+ bullet C4H10O)

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

Quantity Value Units Method Reference Comment
Deltar95.8kJ/molPHPMSMeot-Ner, 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KN/AMeot-Ner, 1984gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
41.8495.PHPMSMeot-Ner, 1984gas phase; Entropy change calculated or estimated; M

CN- + 2-Propanol, 2-methyl- = (CN- bullet 2-Propanol, 2-methyl-)

By formula: CN- + C4H10O = (CN- bullet C4H10O)

Quantity Value Units Method Reference Comment
Deltar76. ± 15.kJ/molIMRELarson and McMahon, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar104.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
Deltar44.8 ± 9.6kJ/molIMRELarson and McMahon, 1987gas phase; B,M

C3H9Sn+ + 2-Propanol, 2-methyl- = (C3H9Sn+ bullet 2-Propanol, 2-methyl-)

By formula: C3H9Sn+ + C4H10O = (C3H9Sn+ bullet C4H10O)

Quantity Value Units Method Reference Comment
Deltar153.kJ/molPHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar136.J/mol*KN/AStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
82.0525.PHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

C4H9O- + 2-Propanol, 2-methyl- = (C4H9O- bullet 2-Propanol, 2-methyl-)

By formula: C4H9O- + C4H10O = (C4H9O- bullet C4H10O)

Quantity Value Units Method Reference Comment
Deltar117. ± 12.kJ/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
Deltar123.J/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
Deltar78.7 ± 8.4kJ/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

cyclopentadienide anion + 2-Propanol, 2-methyl- = (cyclopentadienide anion bullet 2-Propanol, 2-methyl-)

By formula: C5H5- + C4H10O = (C5H5- bullet C4H10O)

Quantity Value Units Method Reference Comment
Deltar71.1 ± 4.2kJ/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar134.J/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar31. ± 4.2kJ/molTDAsMeot-ner, 1988gas phase; B

C5H11O- + 2-Propanol, 2-methyl- = (C5H11O- bullet 2-Propanol, 2-methyl-)

By formula: C5H11O- + C4H10O = (C5H11O- bullet C4H10O)

Quantity Value Units Method Reference Comment
Deltar115. ± 12.kJ/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
Deltar78.2 ± 8.4kJ/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

C6H5NO2- + 2-Propanol, 2-methyl- = (C6H5NO2- bullet 2-Propanol, 2-methyl-)

By formula: C6H5NO2- + C4H10O = (C6H5NO2- bullet C4H10O)

Quantity Value Units Method Reference Comment
Deltar68.6kJ/molPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar114.J/mol*KPHPMSSieck, 1985gas phase; M

thiophenoxide anion + 2-Propanol, 2-methyl- = C10H15OS-

By formula: C6H5S- + C4H10O = C10H15OS-

Quantity Value Units Method Reference Comment
Deltar61.09 ± 0.42kJ/molTDAsSieck and Meot-ner, 1989gas phase; B
Quantity Value Units Method Reference Comment
Deltar30.1 ± 2.1kJ/molTDAsSieck and Meot-ner, 1989gas phase; B

Chlorine anion + 2-Propanol, 2-methyl- = (Chlorine anion bullet 2-Propanol, 2-methyl-)

By formula: Cl- + C4H10O = (Cl- bullet C4H10O)

Quantity Value Units Method Reference Comment
Deltar77. ± 20.kJ/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar115.J/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Deltar100.J/mol*KPHPMSSieck, 1985gas phase; M
Deltar97.9J/mol*KN/ALarson and McMahon, 1984gas phase; Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
Deltar110.J/mol*KPHPMSKebarle, 1977gas phase; M
Deltar43.1J/mol*KN/AYamdagni and Kebarle, 1971gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar48.45kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar51.5 ± 1.3kJ/molTDAsSieck, 1985gas phase; B
Deltar48.53kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B
Deltar46.4 ± 8.4kJ/molIMRELarson and McMahon, 1984, 2gas phase; B,M
Deltar46.4 ± 8.4kJ/molTDAsYamdagni and Kebarle, 1971gas phase; B

(Chlorine anion bullet 2-Propanol, 2-methyl-) + 2-Propanol, 2-methyl- = (Chlorine anion bullet 22-Propanol, 2-methyl-)

By formula: (Cl- bullet C4H10O) + C4H10O = (Cl- bullet 2C4H10O)

Quantity Value Units Method Reference Comment
Deltar70.71 ± 0.84kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar62.3 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar108.J/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar30.8kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar30. ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion bullet 22-Propanol, 2-methyl-) + 2-Propanol, 2-methyl- = (Chlorine anion bullet 32-Propanol, 2-methyl-)

By formula: (Cl- bullet 2C4H10O) + C4H10O = (Cl- bullet 3C4H10O)

Quantity Value Units Method Reference Comment
Deltar66.1 ± 1.3kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar57.3 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar130.J/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar21.2kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar18. ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion bullet 32-Propanol, 2-methyl-) + 2-Propanol, 2-methyl- = (Chlorine anion bullet 42-Propanol, 2-methyl-)

By formula: (Cl- bullet 3C4H10O) + C4H10O = (Cl- bullet 4C4H10O)

Quantity Value Units Method Reference Comment
Deltar53.1 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar131.J/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar14. ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion bullet 42-Propanol, 2-methyl-) + 2-Propanol, 2-methyl- = (Chlorine anion bullet 52-Propanol, 2-methyl-)

By formula: (Cl- bullet 4C4H10O) + C4H10O = (Cl- bullet 5C4H10O)

Quantity Value Units Method Reference Comment
Deltar49.8 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar135.J/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar9.2 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion bullet 52-Propanol, 2-methyl-) + 2-Propanol, 2-methyl- = (Chlorine anion bullet 62-Propanol, 2-methyl-)

By formula: (Cl- bullet 5C4H10O) + C4H10O = (Cl- bullet 6C4H10O)

Quantity Value Units Method Reference Comment
Deltar47.7 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B,M
Quantity Value Units Method Reference Comment
Deltar130.J/mol*KN/AHiraoka and Mizuse, 1987gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar7.5 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B

Fluorine anion + 2-Propanol, 2-methyl- = C4H9D10FO-

By formula: F- + C4H10O = C4H9D10FO-

Quantity Value Units Method Reference Comment
Deltar105. ± 8.4kJ/molIMREWilkinson, Szulejko, et al., 1992gas phase; Reported relative to ROH..F-, 0.5 kcal/mol weaker.; B

Fluorine anion + 2-Propanol, 2-methyl- = (Fluorine anion bullet 2-Propanol, 2-methyl-)

By formula: F- + C4H10O = (F- bullet C4H10O)

Quantity Value Units Method Reference Comment
Deltar139.7 ± 2.9kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar139. ± 8.4kJ/molIMRELarson and McMahon, 1983gas phase; B,M
Deltar137. ± 9.2kJ/molCIDTDeTuri and Ervin, 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar109.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
Deltar108.8kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar107. ± 8.4kJ/molIMRELarson and McMahon, 1983gas phase; B,M

Fluorine anion + 22-Propanol, 2-methyl- = C8H20FO2-

By formula: F- + 2C4H10O = C8H20FO2-

Quantity Value Units Method Reference Comment
Deltar92.0 ± 1.7kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar56.86kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

Fluorine anion + 32-Propanol, 2-methyl- = C12H30FO3-

By formula: F- + 3C4H10O = C12H30FO3-

Quantity Value Units Method Reference Comment
Deltar76.6 ± 4.2kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar32.7kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

HS- + 2-Propanol, 2-methyl- = (HS- bullet 2-Propanol, 2-methyl-)

By formula: HS- + C4H10O = (HS- bullet C4H10O)

Quantity Value Units Method Reference Comment
Deltar70.3 ± 1.3kJ/molTDAsSieck and Meot-ner, 1989gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar83.3J/mol*KPHPMSSieck and Meot-ner, 1989gas phase; M
Quantity Value Units Method Reference Comment
Deltar45.6 ± 5.0kJ/molTDAsSieck and Meot-ner, 1989gas phase; B

Iodide + 2-Propanol, 2-methyl- = (Iodide bullet 2-Propanol, 2-methyl-)

By formula: I- + C4H10O = (I- bullet C4H10O)

Quantity Value Units Method Reference Comment
Deltar54.8 ± 1.3kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar50.6 ± 4.2kJ/molTDAsCaldwell and Kebarle, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar78.2J/mol*KPHPMSCaldwell and Kebarle, 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar25.7kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar27. ± 4.2kJ/molTDAsCaldwell and Kebarle, 1984gas phase; B

Iodide + 22-Propanol, 2-methyl- = C8H20IO2-

By formula: I- + 2C4H10O = C8H20IO2-

Quantity Value Units Method Reference Comment
Deltar47.3 ± 1.7kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar18.1kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

Lithium ion (1+) + 2-Propanol, 2-methyl- = (Lithium ion (1+) bullet 2-Propanol, 2-methyl-)

By formula: Li+ + C4H10O = (Li+ bullet C4H10O)

Quantity Value Units Method Reference Comment
Deltar178. ± 10.kJ/molCIDTRodgers and Armentrout, 2000RCD

Nitrogen oxide anion + 2-Propanol, 2-methyl- = (Nitrogen oxide anion bullet 2-Propanol, 2-methyl-)

By formula: NO2- + C4H10O = (NO2- bullet C4H10O)

Quantity Value Units Method Reference Comment
Deltar82.01 ± 0.84kJ/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar123.J/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar45.2 ± 1.3kJ/molTDAsSieck, 1985gas phase; B

Sodium ion (1+) + 2-Propanol, 2-methyl- = (Sodium ion (1+) bullet 2-Propanol, 2-methyl-)

By formula: Na+ + C4H10O = (Na+ bullet C4H10O)

Quantity Value Units Method Reference Comment
Deltar117. ± 4.2kJ/molCIDTRodgers and Armentrout, 2000RCD
Deltar116. ± 4.2kJ/molCIDTRodgers and Armentrout, 1999RCD

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
89.5298.IMREMcMahon and Ohanessian, 2000Anchor alanine=39.89; RCD

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

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


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Gas Chromatography, NIST Free Links, References, Notes

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

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

Spectrum

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center, 1998.
NIST MS number 291339

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), NIST Free Links, References, Notes

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

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

Kovats' RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
PackedC78, Branched paraffin130.472.1Dallos, Sisak, et al., 2000He; Column length: 3.3 m
PackedC78, Branched paraffin130.471.0Reddy, Dutoit, et al., 1992Chromosorb G HP; Column length: 3.3 m
CapillarySE-3080.500.Tarjan, Nyiredy, et al., 1989 
CapillarySE-3080.500.Haken and Korhonen, 1985Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-3080.500.Haken, Madden, et al., 1985N2; Column length: 25. m; Column diameter: 0.33 mm
PackedSE-30150.515.Tiess, 1984Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m
PackedSE-30100.493.Winskowski, 1983Gaschrom Q; Column length: 2. m
PackedPorapack Q200.521.Goebel, 1982N2
PackedSE-30150.491.Haken, Nguyen, et al., 1979Celatom AW silanized; Column length: 3.7 m
PackedApiezon L120.487.Bogoslovsky, Anvaer, et al., 1978Celite 545
PackedApiezon L160.488.Bogoslovsky, Anvaer, et al., 1978Celite 545
PackedApiezon L130.472.Bogoslovsky, Anvaer, et al., 1978 
PackedApiezon L70.488.Bogoslovsky, Anvaer, et al., 1978 
PackedApolane70.478.1Riedo, Fritz, et al., 1976He, Chromosorb; Column length: 2.4 m
PackedApiezon M130.493.Golovnya and Garbuzov, 1974N2, Chromosorb W; Column length: 2.1 m
PackedApiezon L100.524.Wagaman and Smith, 1971CH4; Column length: 3. m
PackedSE-30100.527.Zarazir, Chovin, et al., 1970Chromosorb W; Column length: 2. m
PackedDC-200100.514.Rohrschneider, 1966Column length: 4. m
PackedSqualane100.471.Rohrschneider, 1966Column length: 5. m
PackedApiezon L100.493.Rohrschneider, 1966Column length: 5. m
PackedApiezon L130.472.von Kováts, 1958Celite (40:60 Gewichtsverhaltnis)
PackedApiezon L70.488.von Kováts, 1958Celite (40:60 Gewichtsverhaltnis)

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

View large format table.

Column type Active phase I Reference Comment
CapillaryPetrocol DH-100523.5Haagen-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
CapillaryOV-35160.930.Haken and Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-35180.942.Haken and Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-35160.930.Haken, Madden, et al., 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-35180.942.Haken, Madden, et al., 1985N2; Column length: 25. m; Column diameter: 0.32 mm
PackedCarbowax 20M75.934.Goebel, 1982N2, Kieselgur (60-100 mesh); Column length: 2. m
PackedPEG-2000120.897.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000150.867.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000152.906.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000179.881.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000200.863.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedCarbowax 20M100.882.Zarazir, Chovin, et al., 1970Chromosorb W; Column length: 2. m
PackedPolyethylene Glycol 4000100.902.Bonastre and Grenier, 1968Chromosorb P; Column length: 6. m
PackedPolyethylene Glycol 4000120.891.Bonastre and Grenier, 1968Chromosorb P; Column length: 6. m
PackedPolyethylene Glycol 4000140.879.Bonastre and Grenier, 1968Chromosorb P; Column length: 6. m
PackedPolyethylene Glycol 400080.914.Bonastre and Grenier, 1968Chromosorb P; Column length: 6. m
PackedCarbowax 20M100.875.Rohrschneider, 1966Column length: 2. m

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5526.3Xu, van Stee, et al., 200330. m/0.25 mm/1. «mu»m, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C

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

View large format table.

Column type Active phase I Reference Comment
PackedSE-30518.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
CapillarySupelcowax-10900.Elmore, Nisyrios, et al., 200560. m/0.25 mm/0.25 «mu»m, He, 40. C @ 2. min, 4. K/min; Tend: 280. C
CapillaryOV-351880.Korhonen, 19846. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 50. C

Normal alkane RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
PackedSynachrom150.531.Dufka, Malinsky, et al., 1971Helium, Synachrom (60-80 mesh); Column length: 1.5 m
PackedSynachrom150.534.Dufka, Malinsky, et al., 1971Helium, Synachrom (60-80 mesh); Column length: 1.5 m

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryPetrocol DH519.Supelco, 2012100. m/0.25 mm/0.50 «mu»m, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min
CapillaryDB-5MS507.3Shoenmakers, Oomen, et al., 200030. m/0.25 mm/0.25 «mu»m, He, 40. C @ 1. min, 3. K/min; Tend: 250. 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

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5530.Miyazaki, Plotto, et al., 201160. m/0.25 mm/1.00 «mu»m, Helium; Program: 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min)
CapillarySE-30500.Vinogradov, 2004Program: not specified
CapillarySE-30512.Vinogradov, 2004Program: not specified
CapillaryDB-1514.Yen and Lin, 199960. m/0.32 mm/0.25 «mu»m, N2; Program: 40 0C (10 min) 40 - 80 0C at 2 0C/min 80 - 200 0C at 5 0C/min 200 0C (10 min)
CapillarySPB-1509.Flanagan, Streete, et al., 199760. m/0.53 mm/5. «mu»m, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
CapillaryDB-1512.Ciccioli, Cecinato, et al., 199460. m/0.32 mm/0.25 «mu»m; Program: not specified
CapillaryDB-1512.Ciccioli, Brancaleoni, et al., 199360. m/0.32 mm/0.25 «mu»m; Program: 3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/min
CapillarySPB-1509.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 «mu»m, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C
CapillarySPB-1512.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 «mu»m, Helium; Program: not specified
CapillaryCP Sil 8 CB518.Weller and Wolf, 198940. m/0.25 mm/0.25 «mu»m, He; Program: 30 0C (1 min) 15 0C/min -> 45 0C 3 0C/min -> 120 0C
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.543.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryOV-1512.Ramsey and Flanagan, 1982Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryCarbowax 20M871.Anker, Jurs, et al., 19902. K/min; Column length: 80. m; Column diameter: 0.2 mm; Tstart: 70. C; Tend: 170. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillarySOLGel-Wax897.Johanningsmeier and McFeeters, 201130. m/0.25 mm/0.25 «mu»m, Helium; Program: 40 0C (2 min) 5 0C/min -> 140 0C 10 0C/min -> 250 0C (3 min)
CapillaryDB-Wax920.Kadar, Juan-Borras, et al., 201060. m/0.32 mm/1.0 «mu»m, Helium; Program: 40 0C (2 min) 4 0C/min -> 190 0C (11 min) 8 0C/min -> 220 0C (8 min)
CapillaryCarbowax 20M871.Vinogradov, 2004Program: not specified
CapillaryDB-Wax916.Peng, Yang, et al., 1991Program: not specified
CapillaryCarbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.934.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryCarbowax 20M875.Ramsey and Flanagan, 1982Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, Notes

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

Wiberg and Hao, 1991
Wiberg, K.B.; Hao, S., Enthalpies of hydration of alkenes. 4. Formation of acyclic tert-alcohols, J. Org. Chem., 1991, 56, 5108-5110. [all data]

Skinner and Snelson, 1960
Skinner, H.A.; Snelson, A., The heats of combustion of the four isomeric butyl alcohols, Trans. Faraday Soc., 1960, 56, 1776-1783. [all data]

Taft and Riesz, 1955
Taft, R.W., Jr.; Riesz, P., Thermodynamic properties for the system isobutene-t-butyl alcohol, J. Am. Chem. Soc., 1955, 77, 902-904. [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]

Beynon E.T., 1963
Beynon E.T., Jr., The thermodynamic properties of 2-methyl-2-propanol, J. Phys. Chem., 1963, 67, 2761-2765. [all data]

Chao J., 1986
Chao J., Thermodynamic properties of key organic oxygen compounds in the carbon range C1 to C4. Part 2. Ideal gas properties, J. Phys. Chem. Ref. Data, 1986, 15, 1369-1436. [all data]

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

Parks, Kelley, et al., 1929
Parks, G.S.; Kelley, K.K.; Huffman, H.M., Thermal data on organic compounds. V. A revision of the entropies and free energies of nineteen organic compounds, J. Am. Chem. Soc., 1929, 51, 1969-1973. [all data]

Parks and Anderson, 1926
Parks, G.S.; Anderson, C.T., Thermal data on organic compounds. III. The heat capacities, entropies and free energies of tertiary butyl alcohol, mannitol, erythritol and normal butyric acid, J. Am. Chem. Soc., 1926, 48, 1506-1512. [all data]

Raley, Rust, et al., 1948
Raley, J.H.; Rust, F.F.; Vaughan, W.E., Decompositions of Di-t-alkyl peroxides. I. Kinetics, J. Am. Chem. Soc., 1948, 70, 88-94. [all data]

Oetting F.L., 1963
Oetting F.L., The heat capacity and entropy of 2-methyl-2-propanol from 15 to 330 K, J. Phys. Chem., 1963, 67, 2757-2761. [all data]

Caceres-Alonso, Costas, et al., 1988
Caceres-Alonso, M.; Costas, M.; Andreoli-Ball, L.; Patterson, D., Steric effects on the self-association of branched and cyclic alcohols in inert solvents. Apparent heat capacities of secondary and tertiary alcohols in hydrocarbons, Can. J. Chem., 1988, 66, 989-998. [all data]

Okano, Ogawa, et al., 1988
Okano, T.; Ogawa, H.; Murakami, S., Molar excess volumes, isentropic compressions, and isobaric heat capacities of methanol-isomeric butanol systems at 298.15 K, Can. J. Chem., 1988, 66, 713-717. [all data]

De Visser, Perron, et al., 1977
De Visser, C.; Perron, G.; Desnoyers, J.E., Volumes and heat capacities of ternary aqueous systems at 25°C. Mixtures of urea, tert-butyl alcohol, N,N-dimethylformamide, and water, J. Amer. Chem. Soc., 1977, 99, 5894-5900. [all data]

De Visser, Perron, et al., 1977, 2
De Visser, C.; Perron, G.; Desnoyers, J.E., The heat capacities, volumes and expansibilities of tert-butyl alcohol - water mixtures form 6 to 65°C, Can. J. Chem., 1977, 55, 856-762. [all data]

Murthy and Subrahmanyam, 1977
Murthy, N.M.; Subrahmanyam, S.V., Behaviour of excess heat capacity of aqueous non-electrolytes, Indian J. Pure Appl. Phys., 1977, 15, 485-489. [all data]

Skold, Suurkuusk, et al., 1976
Skold, R.; Suurkuusk, J.; Wadso, I., Thermochemistry of solutions of biochemical model compounds. 7. Aqueous solutions of some amides, t-butanol, and pentanol, J. Chem. Thermodynam., 1976, 8, 1075-1080. [all data]

Wilhoit, Chao, et al., 1985
Wilhoit, R.C.; Chao, J.; Hall, K.R., Thermodynamic Properties of Key Organic Compounds in the Carbon Range C1 to C4. Part 1. Properties of Condensed Phases, J. Phys. Chem. Ref. Data, 1985, 14, 1. [all data]

Oetting, 1963
Oetting, F.L., The heat capacity and entropy of 2-methyl-2-propanol from 15 to 330!31k, J. Phys. Chem., 1963, 67, 2757-61. [all data]

Parks and Anderson, 1926, 2
Parks, G.S.; Anderson, C.T., Thermal data on organic compounds. III. The heat capacities, entropies and free energies of tertiary butyl alcohol, mannitol, erythritol and normal butyric acid, J. Am. Chem. Soc., 1926, 48, 1506-12. [all data]

Gude and Teja, 1995
Gude, M.; Teja, A.S., Vapor-Liquid Critical Properties of Elements and Compounds. 4. Aliphatic Alkanols, J. Chem. Eng. Data, 1995, 40, 1025-1036. [all data]

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]

Ambrose and Townsend, 1963
Ambrose, D.; Townsend, R., Thermodynamic Properties of Organic Oxygen Compounds IX. The Critical Properties and Vapor Pressures Above Five Atmospheres of Six Aliphatic Alcohols, J. Chem. Soc., 1963, 54, 3614-25. [all data]

Krone and Johnson, 1956
Krone, L.H.; Johnson, R.C., Thermodynamic Properties of tert-Butyl ALcohol, AIChE J., 1956, 2, 552-4. [all data]

Pawlewski, 1883
Pawlewski, B., Critical temperatures of some liquids, Ber. Dtsch. Chem. Ges., 1883, 16, 2633-36. [all data]

Ortega, Espiau, et al., 2003
Ortega, Juan; Espiau, Fernando; Postigo, Miguel, Isobaric Vapor-Liquid Equilibria and Excess Quantities for Binary Mixtures of an Ethyl Ester + tert -Butanol and a New Approach to VLE Data Processing, J. Chem. Eng. Data, 2003, 48, 4, 916-924, https://doi.org/10.1021/je0202073 . [all data]

Aucejo, Loras, et al., 1999
Aucejo, Antonio; Loras, Sonia; Muñoz, Rosa; Ordoñez, Luis Miguel, Isobaric vapor--liquid equilibrium for binary mixtures of 2-methylpentane+ethanol and +2-methyl-2-propanol, Fluid Phase Equilibria, 1999, 156, 1-2, 173-183, https://doi.org/10.1016/S0378-3812(99)00029-1 . [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Ambrose, Counsell, et al., 1970
Ambrose, D.; Counsell, J.F.; Davenport, A.J., The use of Chebyshev polynomials for the representation of vapour pressures between the triple point and the critical point, The Journal of Chemical Thermodynamics, 1970, 2, 2, 283-294, https://doi.org/10.1016/0021-9614(70)90093-5 . [all data]

Beynon and McKetta, 1963
Beynon, Eugene T.; McKetta, John J., THE THERMODYNAMIC PROPERTIES OF 2-METHYL-2-PROPANOL, J. Phys. Chem., 1963, 67, 12, 2761-2765, https://doi.org/10.1021/j100806a060 . [all data]

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Majer, V.; Svoboda, V.; Hynek, V., On the enthalpy of vaporization of isomeric butanols, J. Chem. Thermodyn., 1984, 16, 1059-1066. [all data]

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Sachek, A.I.; Peshchenko, A.D.; Markovnik, V.S.; Ral'ko, O.V.; Andreevskii, D.N.; Leont'eva, A.A., Termodin. Org. Soedin., 1982, 94. [all data]

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

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Brown, I.; Fock, W.; Smith, F., The thermodynamic properties of solutions of normal and branched alcohols in benzene and n-hexane, The Journal of Chemical Thermodynamics, 1969, 1, 3, 273-291, https://doi.org/10.1016/0021-9614(69)90047-0 . [all data]

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Boublik, T.; Fried, V.; Hala, E., The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]

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Ambrose, D.; Townsend, R., 681. Thermodynamic properties of organic oxygen compounds. Part IX. The critical properties and vapour pressures, above five atmospheres, of six aliphatic alcohols, J. Chem. Soc., 1963, 3614, https://doi.org/10.1039/jr9630003614 . [all data]

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Parks, George S.; Barton, Bernard, VAPOR PRESSURE DATA FOR ISOPROPYL ALCOHOL AND TERTIARY BUTYL ALCOHOL, J. Am. Chem. Soc., 1928, 50, 1, 24-26, https://doi.org/10.1021/ja01388a004 . [all data]

Ambrose and Townsend, 1963, 3
Ambrose, D.; Townsend, R., Thermodynamic Properties of Organic Oxygen Compounds. Part 9. The Critical Properties and Vapour Pressures, above Five Atmospheres, of Six Aliphatic Alcohols, J. Chem. Soc., 1963, 3614-3625, https://doi.org/10.1039/jr9630003614 . [all data]

Biddiscombe, Collerson, et al., 1963
Biddiscombe, D.P.; Collerson, R.R.; Handley, R.; Herington, E.F.G.; Martin, J.F.; Sprake, C.H.S., Thermodynamic Properties of Organic Oxygen Compounds. Part 8. Purification and Vapor Pressures of the Propyl and Butyl Alcohols, J. Chem. Soc., 1963, 1954-1957, https://doi.org/10.1039/jr9630001954 . [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

Hiraoka and Mizuse, 1987
Hiraoka, K.; Mizuse, S., Gas-Phase Solvation of Cl- with H2O, CH3OH, C2H4OH, i-C3H7OH, n-C3H7OH, and t-C4H9OH, Chem. Phys., 1987, 118, 3, 457, https://doi.org/10.1016/0301-0104(87)85078-4 . [all data]

Sieck, 1985
Sieck, L.W., Thermochemistry of Solvation of NO2- and C6H5NO2- by Polar Molecules in the Vapor Phase. Comparison with Cl- and Variation with Ligand Structure., J. Phys. Chem., 1985, 89, 25, 5552, https://doi.org/10.1021/j100271a049 . [all data]

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Larson, J.W.; McMahon, T.B., Gas phase negative ion chemistry of alkylchloroformates, Can. J. Chem., 1984, 62, 675. [all data]

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French, M.A.; Ikuta, S.; Kebarle, P., Hydrogen bonding of O-H and C-H hydrogen donors to Cl-. Results from mass spectrometric measurement of the ion-molecule equilibria RH + Cl- = RHCl-, Can. J. Chem., 1982, 60, 1907. [all data]

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Kebarle, P., Ion Thermochemistry and Solvation from Gas Phase Ion Equilibria, Ann. Rev. Phys. Chem., 1977, 28, 1, 445, https://doi.org/10.1146/annurev.pc.28.100177.002305 . [all data]

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Notes

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