Isopropyl Alcohol

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Phase change data

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

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

Data compiled as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil355.5 ± 0.4KAVGN/AAverage of 102 out of 118 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus185.75KN/AOgimachi, Corcoran, et al., 1961Uncertainty assigned by TRC = 0.5 K; TRC
Tfus185.35KN/AAnonymous, 1958TRC
Quantity Value Units Method Reference Comment
Ttriple184.9 ± 0.6KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Tc509. ± 2.KAVGN/AAverage of 19 out of 20 values; Individual data points
Quantity Value Units Method Reference Comment
Pc49. ± 5.barAVGN/AAverage of 10 values; Individual data points
Quantity Value Units Method Reference Comment
Vc0.222l/molN/AGude and Teja, 1995 
Vc0.223l/molN/AAmbrose, Counsell, et al., 1978Uncertainty assigned by TRC = 0.003 l/mol; PVT compatible with values chosen.; TRC
Quantity Value Units Method Reference Comment
ρc4.51 ± 0.02mol/lN/AGude and Teja, 1995 
ρc4.54mol/lN/ATeja, Lee, et al., 1989TRC
ρc4.538mol/lN/AAmbrose and Townsend, 1963TRC
Quantity Value Units Method Reference Comment
ΔvapH°45. ± 3.kJ/molAVGN/AAverage of 11 values; Individual data points

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
39.85355.4N/AMajer and Svoboda, 1985 
43.2337.N/ASegura, Galindo, et al., 2002Based on data from 322. to 355. K.; AC
39.8355.N/AWormald and Vine, 2000AC
29.7423.N/AWormald and Vine, 2000AC
23.7453.N/AWormald and Vine, 2000AC
16.5483.N/AWormald and Vine, 2000AC
10.5503.N/AWormald and Vine, 2000AC
44.8315.N/AAucejo, Gonzalez-Alfaro, et al., 1995Based on data from 300. to 355. K.; AC
50.3213.AStephenson and Malanowski, 1987Based on data from 195. to 228. K.; AC
42.0355.AStephenson and Malanowski, 1987Based on data from 347. to 368. K.; AC
41.3365.AStephenson and Malanowski, 1987Based on data from 350. to 383. K.; AC
39.2394.AStephenson and Malanowski, 1987Based on data from 379. to 461. K.; AC
35.3468.AStephenson and Malanowski, 1987Based on data from 453. to 508. K.; AC
43.1340.A,EBStephenson and Malanowski, 1987Based on data from 325. to 362. K. See also Ambrose, Counsell, et al., 1970.; AC
45.7288.N/AWilhoit and Zwolinski, 1973Based on data from 273. to 374. K.; AC
45.5303.N/AVan Ness, Soczek, et al., 1967Based on data from 288. to 348. K.; AC
42.7 ± 0.1330.CBerman, Larkam, et al., 1964AC
41.0 ± 0.1346.CBerman, Larkam, et al., 1964AC
39.8 ± 0.1355.CBerman, Larkam, et al., 1964AC
38.9 ± 0.1363.CBerman, Larkam, et al., 1964AC
39.1410.N/AAmbrose and Townsend, 1963, 2Based on data from 395. to 508. K.; AC
42.8344.EBBiddiscombe, Collerson, et al., 1963Based on data from 329. to 363. K.; AC
43.2324.CHales, Cox, et al., 1963AC
41.7339.CHales, Cox, et al., 1963AC
39.8355.CHales, Cox, et al., 1963AC
43.40 ± 0.08324.11VWilliamson and Harrison, 1957ALS
41.1369.N/AFoz Gazulla, Morcilio, et al., 1955Based on data from 354. to 420. 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. to 380.
A (kJ/mol) 53.38
α -0.708
β 0.6538
Tc (K) 508.3
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
395.1 to 508.244.577951221.423-87.474Ambrose and Townsend, 1963, 3Coefficents calculated by NIST from author's data.
329.92 to 362.414.86101357.427-75.814Biddiscombe, Collerson, et al., 1963, 2Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
5.410185.20Andon, Counsell, et al., 1963DH
5.372184.67Kelley, 1929DH
5.41185.2Domalski and Hearing, 1996AC
5.301184.6Parks and Kelley, 1928DH
5.297184.6Parks and Kelley, 1925DH

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
29.21185.20Andon, Counsell, et al., 1963DH
29.09184.67Kelley, 1929DH
28.72184.6Parks and Kelley, 1928DH
28.7184.6Parks and Kelley, 1925DH

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:

Gas phase ion energetics data

Go To: Top, Phase change data, Ion clustering data, References, Notes

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

Data 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, Phase change data, Gas phase ion energetics data, References, Notes

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

Data compiled 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

References

Go To: Top, Phase change data, Gas phase ion energetics data, Ion clustering data, Notes

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

Ogimachi, Corcoran, et al., 1961
Ogimachi, N.N.; Corcoran, J.M.; Kruse. H.W., Thermal Analysis of Systems of Hydrazine with Propyl Alcohol, Isopropyl Alcohol, and Allyl Alcohol, J. Chem. Eng. Data, 1961, 6, 238. [all data]

Anonymous, 1958
Anonymous, X., Am. Pet. Inst. Res. Proj. 50, 1958, Unpublished, 1958. [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]

Ambrose, Counsell, et al., 1978
Ambrose, D.; Counsell, J.F.; Lawrenson, I.J.; Lewis, G.B., Thermodynamic properties of organic oxygen compounds XLVII. Pressure, volume, temperature relations and thermodynamic properties of propan-2-ol, J. Chem. Thermodyn., 1978, 10, 1033-1043. [all data]

Teja, Lee, et al., 1989
Teja, A.S.; Lee, R.J.; Rosenthal, D.J.; Anselme, M.J., Correlation of the Critical Properties of Alkanes and Alkanols in 5th IUPAC Conference on Alkanes and AlkanolsGradisca, 1989. [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]

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]

Segura, Galindo, et al., 2002
Segura, Hugo; Galindo, Graciela; Reich, Ricardo; Wisniak, Jaime; Loras, Sonia, Isobaric Vapor-Liquid Equilibria and Densities for the System Methyl 1,1-Dimethylethyl Ether +2-Propanol, Physics and Chemistry of Liquids, 2002, 40, 3, 277-294, https://doi.org/10.1080/0031910021000004865 . [all data]

Wormald and Vine, 2000
Wormald, C.J.; Vine, M.D., Specific enthalpy increments for propan-2-ol at temperatures up to 563.2 K and pressures up to 11.3 MPa, The Journal of Chemical Thermodynamics, 2000, 32, 5, 659-669, https://doi.org/10.1006/jcht.1999.0631 . [all data]

Aucejo, Gonzalez-Alfaro, et al., 1995
Aucejo, Antonio; Gonzalez-Alfaro, Vicenta; Monton, Juan B.; Vazquez, M. Isabel, Isobaric Vapor-Liquid Equilibria of Trichloroethylene with 1-Propanol and 2-Propanol at 20 and 100 kPa, J. Chem. Eng. Data, 1995, 40, 1, 332-335, https://doi.org/10.1021/je00017a073 . [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]

Wilhoit and Zwolinski, 1973
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]

Van Ness, Soczek, et al., 1967
Van Ness, Hendrick C.; Soczek, C.A.; Peloquin, G.L.; Machado, R.L., Thermodynamic excess properties of three alcohol-hydrocarbon systems, J. Chem. Eng. Data, 1967, 12, 2, 217-224, https://doi.org/10.1021/je60033a017 . [all data]

Berman, Larkam, et al., 1964
Berman, Neil S.; Larkam, Charles W.; McKetta, John J., Vapor Heat Capacity and Heat of Vaporization of 2-Propanol., J. Chem. Eng. Data, 1964, 9, 2, 218-219, https://doi.org/10.1021/je60021a020 . [all data]

Ambrose and Townsend, 1963, 2
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]

Biddiscombe, Collerson, et al., 1963
Biddiscombe, D.P.; Collerson, R.R.; Handley, R.; Herington, E.F.G.; Martin, J.F.; Sprake, C.H.S., 364. Thermodynamic properties of organic oxygen compounds. Part VIII. Purification and vapour pressures of the propyl and butyl alcohols, J. Chem. Soc., 1963, 1954, https://doi.org/10.1039/jr9630001954 . [all data]

Hales, Cox, et al., 1963
Hales, J.L.; Cox, J.D.; Lees, E.B., Thermodynamic properties of organic oxygen compounds. Part 10.-Measurement of vapour heat capacities and latent heats of vaporization of isopropyl alcohol, Trans. Faraday Soc., 1963, 59, 1544. [all data]

Williamson and Harrison, 1957
Williamson, K.D.; Harrison, R.H., Heats of vaporization of 1,1,2-trichloroethane, 1-propanol, and 2-propanol; vapor heat capacity of 1,1,2-trichloroethane, J. Chem. Phys., 1957, 26, 1409-14. [all data]

Foz Gazulla, Morcilio, et al., 1955
Foz Gazulla, O.R.; Morcilio, J.; Perez-Masia, A.; Mendes, A., Anales Real Soc. Espan. Fis. Quim. (Madrid), 1955, 50B, 23. [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, 2
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]

Andon, Counsell, et al., 1963
Andon, R.J.L.; Counsell, J.F.; Martin, J.F., Thermodynamic properties of organic oxygen compounds. Part II. The thermodynamic properties from 10 to 330 K of isopropyl alcohol, Trans. Faraday Soc., 1963, 59, 1555-1558. [all data]

Kelley, 1929
Kelley, K.K., The heats capacities of isopropyl alcohol and acetone from 16 to 298 °K and the corresponding entropies and free energies, J. Am. Chem. Soc., 1929, 51, 1145-1150. [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]

Parks and Kelley, 1928
Parks, G.S.; Kelley, K.K., The application of the third law of thermodynamics to some organic reactions, J. Phys. Chem., 1928, 32, 734-750. [all data]

Parks and Kelley, 1925
Parks, G.S.; Kelley, K.K., Thermal data on organic compounds. II. The heat capacities of five organic compounds. The entropies and free energies of some homologous series of aliphatic compounds, J. Am. Chem. Soc., 1925, 47, 2089-2097. [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Cao and Holmes, 2001
Cao, J.; Holmes, J.L., Determination of the proton affinities of secondary alcohols from the dissocation of proton-bound molecular trios, European J. Mass Spectrom., 2001, 7, 243-247. [all data]

Bowen and Maccoll, 1984
Bowen, R.D.; Maccoll, A., Low energy, low temperature mass spectra, Org. Mass Spectrom., 1984, 19, 379. [all data]

Potapov and Sorokin, 1972
Potapov, V.K.; Sorokin, V.V., Kinetic energies of products of dissociative photoionization of molecules. I. Aliphatic ketones and alcohols, Khim. Vys. Energ., 1972, 6, 387. [all data]

Cocksey, Eland, et al., 1971
Cocksey, B.J.; Eland, J.H.D.; Danby, C.J., The effect of alkyl substitution on ionisation potential, J. Chem. Soc., 1971, (B), 790. [all data]

Dewar and Worley, 1969
Dewar, M.J.S.; Worley, S.D., Photoelectron spectra of molecules. I. Ionization potentials of some organic molecules and their interpretation, J. Chem. Phys., 1969, 50, 654. [all data]

Refaey and Chupka, 1968
Refaey, K.M.A.; Chupka, W.A., Photoionization of the lower aliphatic alcohols with mass analysis, J. Chem. Phys., 1968, 48, 5205. [all data]

Watanabe, 1957
Watanabe, K., Ionization potentials of some molecules, J. Chem. Phys., 1957, 26, 542. [all data]

Benoit and Harrison, 1977
Benoit, F.M.; Harrison, A.G., Predictive value of proton affinity. Ionization energy correlations involving oxygenated molecules, J. Am. Chem. Soc., 1977, 99, 3980. [all data]

Peel and Willett, 1975
Peel, J.B.; Willett, G.D., Photoelectron spectroscopic studies of the higher alcohols, Aust. J. Chem., 1975, 28, 2357. [all data]

Robin and Kuebler, 1973
Robin, M.B.; Kuebler, N.A., Excited electronic states of the simple alcohols, J. Electron Spectrosc. Relat. Phenom., 1973, 1, 13. [all data]

Katsumata, Iwai, et al., 1973
Katsumata, S.; Iwai, T.; Kimura, K., Photoelectron spectra and sum rule consideration. Higher alkyl amines and alcohols, Bull. Chem. Soc. Jpn., 1973, 46, 3391. [all data]

Baker, Betteridge, et al., 1971
Baker, A.D.; Betteridge, D.; Kemp, N.R.; Kirby, R.E., Application of photoelectron spectrometry to pesticide analysis. II.Photoelectron spectra of hydroxy-, and halo-alkanes and halohydrins, Anal. Chem., 1971, 43, 375. [all data]

Olmsted, Street, et al., 1964
Olmsted, J., III; Street, K., Jr.; Newton, A.S., Excess-kinetic-energy ions in organic mass spectra, J. Chem. Phys., 1964, 40, 2114. [all data]

Friedman, Long, et al., 1957
Friedman, L.; Long, F.A.; Wolfsberg, M., Study of the mass spectra of the lower aliphatic alcohols, J. Chem. Phys., 1957, 27, 613. [all data]

Holmes, Burgers, et al., 1982
Holmes, J.L.; Burgers, P.C.; Mollah, Y.A., Alkane elimination from ionized alkanols, Org. Mass Spectrom., 1982, 17, 127. [all data]

Lossing, 1977
Lossing, F.P., Heats of formation of some isomeric [CnH2n+1]+ ions. Substitutional effects on ion stability, J. Am. Chem. Soc., 1977, 99, 7526. [all data]

Haney and Franklin, 1969
Haney, M.A.; Franklin, J.L., Excess energies in mass spectra of some oxygen-containing organic compounds, J. Chem. Soc. Faraday Trans., 1969, 65, 1794. [all data]

Lambdin, Tuffly, et al., 1959
Lambdin, W.J.; Tuffly, B.L.; Yarborough, V.A., Appearance potentials as obtained with an analytical mass spectrometer, Appl. Spectry., 1959, 13, 71. [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
DeTuri, V.F.; Ervin, K.M., Competitive threshold collision-induced dissociation: Gas-phase acidities and bond dissociation energies for a series of alcohols, J. Phys. Chem. A, 1999, 103, 35, 6911-6920, https://doi.org/10.1021/jp991459m . [all data]

Haas and Harrison, 1993
Haas, M.J.; Harrison, A.G., The Fragmentation of Proton-Bound Cluster Ions and the Gas-Phase Acidities of Alcohols, Int. J. Mass Spectrom. Ion Proc., 1993, 124, 2, 115, https://doi.org/10.1016/0168-1176(93)80003-W . [all data]

Bogdanov, Peschke, et al., 1999
Bogdanov, B.; Peschke, M.; Tonner, D.S.; Szulejko, J.E.; McMahon, T.B., Stepwise solvation of halides by alcohol molecules in the gas phase, Int. J. Mass Spectrom., 1999, 187, 707-725, https://doi.org/10.1016/S1387-3806(98)14180-5 . [all data]

Tanabe, Morgon, et al., 1996
Tanabe, F.K.J.; Morgon, N.H.; Riveros, J.M., Relative Bromide and Iodide Affinity of Simple Solvent Molecules Determined by FT-ICR, J. Phys. Chem., 1996, 100, 8, 2862-2866, https://doi.org/10.1021/jp952290p . [all data]

Hiraoka, Mizure, et al., 1988
Hiraoka, K.; Mizure, S.; Yamabe, S.; Nakatsuji, Y., Gas Phase Clustering Reactions of CN- and CH2CN- with MeCN, Chem. Phys. Lett., 1988, 148, 6, 497, https://doi.org/10.1016/0009-2614(88)80320-8 . [all data]

Sieck and Meot-ner, 1989
Sieck, L.W.; Meot-ner, M., Ionic Hydrogen Bond and Ion Solvation. 8. RS-..HOR Bond Strengths. Correlation with Acidities., J. Phys. Chem., 1989, 93, 4, 1586, https://doi.org/10.1021/j100341a079 . [all data]

Larson, Szulejko, et al., 1988
Larson, J.W.; Szulejko, J.E.; McMahon, T.B., Gas Phase Lewis Acid-Base Interactions. An Experimental Determination of Cyanide Binding Energies From Ion Cyclotron Resonance and High-Pressure Mass Spectrometric Equilibrium Measurements., J. Am. Chem. Soc., 1988, 110, 23, 7604, https://doi.org/10.1021/ja00231a004 . [all data]

Larson and McMahon, 1987
Larson, J.W.; McMahon, T.B., Hydrogen bonding in gas phase anions. The energetics of interaction between cyanide ion and bronsted acids, J. Am. Chem. Soc., 1987, 109, 6230. [all data]

Payzant, Yamdagni, et al., 1971
Payzant, J.D.; Yamdagni, R.; Kebarle, P., Hydration of CN-, NO2-, NO3-, and HO- in the gas phase, Can. J. Chem., 1971, 49, 3308. [all data]

Bomse and Beauchamp, 1981
Bomse, D.S.; Beauchamp, J.L., Slow Multiphoton Excitation as a Probe of Bimolecular and Unimolecular Reaction Energetics. Multiphoton Dissociation of Proton-Bound Alcohol Dimers, J. Am. Chem. Soc., 1981, 103, 12, 3292, https://doi.org/10.1021/ja00402a011 . [all data]

Grimsrud and Kebarle, 1973
Grimsrud, E.P.; Kebarle, P., Gas Phase Ion Equilibria Studies of the Solvation of the Hydrogen Ion by Methanol, Dimethyl Ether and Water. Effect of Hydrogen Bonding, J. Am. Chem. Soc., 1973, 95, 24, 7939, https://doi.org/10.1021/ja00805a002 . [all data]

Lias, Liebman, et al., 1984
Lias, S.G.; Liebman, J.F.; Levin, R.D., Evaluated gas phase basicities and proton affinities of molecules heats of formation of protonated molecules, J. Phys. Chem. Ref. Data, 1984, 13, 695. [all data]

Wojtyniak and Stone, 1986
Wojtyniak, A.C.M.; Stone, A.J., A High-Pressure Mass Spectrometric Study of the Bonding of Trimethylsilylium to Oxygen and Aromatic Bases, Can. J. Chem., 1986, 74, 59. [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]

Larson and McMahon, 1984
Larson, J.W.; McMahon, T.B., Hydrogen bonding in gas phase anions. An experimental investigation of the interaction between chloride ion and bronsted acids from ICR chloride exchange equilibria, J. Am. Chem. Soc., 1984, 106, 517. [all data]

Larson and McMahon, 1984, 2
Larson, J.W.; McMahon, T.B., Gas phase negative ion chemistry of alkylchloroformates, Can. J. Chem., 1984, 62, 675. [all data]

Wilkinson, Szulejko, et al., 1992
Wilkinson, F.E.; Szulejko, J.E.; Allison, C.E.; Mcmahon, T.B., Fourier Transform Ion Cyclotron Resonance Investigation of the Deuterium Isotope Effect on Gas Phase Ion/Molecule Hydrogen Bonding Interactions in Alcohol-Fluoride Adduct Ions, Int. J. Mass Spectrom., 1992, 117, 487-505, https://doi.org/10.1016/0168-1176(92)80110-M . [all data]

Larson and McMahon, 1983
Larson, J.W.; McMahon, T.B., Strong hydrogen bonding in gas-phase anions. An ion cyclotron resonance determination of fluoride binding energetics to bronsted acids from gas-phase fluoride exchange equilibria measurements, J. Am. Chem. Soc., 1983, 105, 2944. [all data]

Arshadi, Yamdagni, et al., 1970
Arshadi, M.; Yamdagni, R.; Kebarle, P., Hydration of Halide Negative Ions in the Gas Phase. II. Comparison of Hydration Energies for the Alkali Positive and Halide Negative Ions, J. Phys. Chem., 1970, 74, 7, 1475, https://doi.org/10.1021/j100702a014 . [all data]

Caldwell and Kebarle, 1984
Caldwell, G.; Kebarle, P., Binding energies and structural effects in halide anion-ROH and -RCOOH complexes from gas phase equilibria measurements, J. Am. Chem. Soc., 1984, 106, 967. [all data]

Rodgers and Armentrout, 2000
Rodgers, M.T.; Armentrout, P.B., Noncovalent Metal-Ligand Bond Energies as Studied by Threshold Collision-Induced Dissociation, Mass Spectrom. Rev., 2000, 19, 4, 215, https://doi.org/10.1002/1098-2787(200007)19:4<215::AID-MAS2>3.0.CO;2-X . [all data]

Operti, Tews, et al., 1988
Operti, L.; Tews, E.C.; Freiser, B.S., Determination of Gas-Phase Ligand Binding Energies to Mg+ by FTMS Techniques, J. Am. Chem. Soc., 1988, 110, 12, 3847, https://doi.org/10.1021/ja00220a020 . [all data]

Armentrout and Rodgers, 2000
Armentrout, P.B.; Rodgers, M.T., An Absolute Sodium Cation Affinity Scale: Threshold Collision-Induced Dissociation Experiments and ab Initio Theory, J. Phys. Chem A, 2000, 104, 11, 2238, https://doi.org/10.1021/jp991716n . [all data]

Rodgers and Armentrout, 1999
Rodgers, M.T.; Armentrout, P.B., Absolute Binding Energies of Sodium Ions to Short-Chain Alcohols, CnH2n+2O, n=1-4, Determined by Threshold Collision-Induced Dissociation Experiments and Ab Initio Theory, 1999, 4955. [all data]

McMahon and Ohanessian, 2000
McMahon, T.B.; Ohanessian, G., An Experimental and Ab Initio Study of the Nature of the Binding in Gas-Phase Complexes of Sodium Ions, Chem. Eur. J., 2000, 6, 16, 2931, https://doi.org/10.1002/1521-3765(20000818)6:16<2931::AID-CHEM2931>3.0.CO;2-7 . [all data]

Notes

Go To: Top, Phase change data, Gas phase ion energetics data, Ion clustering data, References