1-Propanol

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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
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil370.3 ± 0.5KAVGN/AAverage of 127 out of 139 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus146.7KN/ATschamler, Richter, et al., 1949Uncertainty assigned by TRC = 0.5 K; TRC
Tfus147.KN/ATimmermans, 1935Uncertainty assigned by TRC = 3. K; TRC
Quantity Value Units Method Reference Comment
Ttriple148.75KN/AWilhoit, Chao, et al., 1985Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple148.75KN/ACounsell, Lees, et al., 1968Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple147.0KN/AParks and Huffman, 1926Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Tc536.9 ± 0.8KAVGN/AAverage of 20 out of 25 values; Individual data points
Quantity Value Units Method Reference Comment
Pc52. ± 1.barAVGN/AAverage of 12 values; Individual data points
Quantity Value Units Method Reference Comment
Vc0.218l/molN/AGude and Teja, 1995 
Vc0.216l/molN/AZawisza and Vejrosta, 1982Uncertainty assigned by TRC = 0.001 l/mol; Visual; TRC
Quantity Value Units Method Reference Comment
ρc4.58 ± 0.06mol/lAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Δvap47. ± 1.kJ/molAVGN/AAverage of 15 values; Individual data points

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
41.44370.3N/AMajer and Svoboda, 1985 
41.2371.N/AWormald and Vine, 2000AC
35.2423.N/AWormald and Vine, 2000AC
29.4453.N/AWormald and Vine, 2000AC
21.0498.N/AWormald and Vine, 2000AC
11.4528.N/AWormald and Vine, 2000AC
47.0318.N/AAucejo, Gonzalez-Alfaro, et al., 1995Based on data from 303. to 370. K.; AC
42.9375.N/AOrtega, Susial, et al., 1990Based on data from 360. to 377. K.; AC
48.0214.AStephenson and Malanowski, 1987Based on data from 200. to 228. K.; AC
43.5366.AStephenson and Malanowski, 1987Based on data from 356. to 376. K.; AC
42.3384.AStephenson and Malanowski, 1987Based on data from 369. to 407. K.; AC
40.1416.AStephenson and Malanowski, 1987Based on data from 401. to 482. K.; AC
36.5492.AStephenson and Malanowski, 1987Based on data from 478. to 507. K.; AC
46.4 ± 0.1313.CSvoboda, Veselý, et al., 1973AC
45.7 ± 0.1323.CSvoboda, Veselý, et al., 1973AC
44.9 ± 0.1333.CSvoboda, Veselý, et al., 1973AC
44.0 ± 0.1343.CSvoboda, Veselý, et al., 1973AC
43.2 ± 0.1353.CSvoboda, Veselý, et al., 1973AC
42.4 ± 0.1363.CSvoboda, Veselý, et al., 1973AC
49.3290.N/AWilhoit and Zwolinski, 1973Based on data from 275. to 373. K.; AC
44.7348.EBAmbrose, Counsell, et al., 1970Based on data from 333. to 377. K. See also Stephenson and Malanowski, 1987.; AC
46.9307.DTAKemme and Kreps, 1969Based on data from 292. to 370. K.; AC
46.7303.N/AVan Ness, Soczek, et al., 1967Based on data from 288. to 348. K.; AC
40.7420.N/AAmbrose and Townsend, 1963Based on data from 405. to 537. K.; AC
44.3353.EBBiddiscombe, Collerson, et al., 1963Based on data from 338. to 378. K.; AC
44.1358.N/AMathews and McKetta, 1961Based on data from 343. to 385. K.; AC
43.9 ± 0.1343.CMathews and McKetta, 1961AC
42.3 ± 0.1360.CMathews and McKetta, 1961AC
41.2 ± 0.1370.CMathews and McKetta, 1961AC
40.3 ± 0.1378.CMathews and McKetta, 1961AC
39.7 ± 0.1384.CMathews and McKetta, 1961AC
45.5321. to 367.N/AAronovich, Kastorskii, et al., 1959AC
43.2354.N/AWilliamson and Harrison, 1957AC
44.99 ± 0.42333.13VWilliamson and Harrison, 1957, 2ALS

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 390.
A (kJ/mol) 52.06
α -0.8386
β 0.6888
Tc (K) 536.7
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
333.32 to 377.724.876011441.629-74.299Ambrose and Sprake, 1970Coefficents calculated by NIST from author's data.
292.4 to 370.55.313841690.864-51.804Kemme and Kreps, 1969 
405.46 to 536.714.598711300.491-86.364Ambrose and Townsend, 1963, 2Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
5.372148.75Counsell, Lees, et al., 1968, 2DH
5.4148.7van Miltenburg and van den Berg, 2004AC
5.37148.8Counsell, Lees, et al., 1968AC
5.192147.0Parks and Huffman, 1926, 2DH

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
36.11148.75Counsell, Lees, et al., 1968, 2DH
35.3147.0Parks and Huffman, 1926, 2DH

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

View reactions leading to C3H8O+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)10.22 ± 0.06eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)786.5kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity756.1kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

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

Appearance energy determinations

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

De-protonation reactions

C3H7O- + Hydrogen cation = 1-Propanol

By formula: C3H7O- + H+ = C3H8O

Quantity Value Units Method Reference Comment
Δr1572. ± 5.4kJ/molD-EAEllison, Engleking, et al., 1982gas phase; B
Δr1573. ± 8.8kJ/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Δr1574. ± 8.4kJ/molCIDCHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
Quantity Value Units Method Reference Comment
Δr1545. ± 5.9kJ/molH-TSEllison, Engleking, et al., 1982gas phase; B
Δr1546. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Δr1546. ± 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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
RCD - Robert C. Dunbar

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

Clustering reactions

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

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

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

Quantity Value Units Method Reference Comment
Δr92.0kJ/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr107.J/mol*KPHPMSMeot-Ner, 1984gas phase; M

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

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

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

Quantity Value Units Method Reference Comment
Δr127.kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Δr119.J/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Δr91.2kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

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

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

Quantity Value Units Method Reference Comment
Δr90.8kJ/molICRCaldwell, Rozeboom, et al., 1984gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M
Quantity Value Units Method Reference Comment
Δr123.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
Δr54.4kJ/molICRCaldwell, Rozeboom, et al., 1984gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M

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

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

Quantity Value Units Method Reference Comment
Δr90. ± 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
Δr54.0 ± 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

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

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

Quantity Value Units Method Reference Comment
Δr119. ± 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
Δr123.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
Δr81.2 ± 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,M

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

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

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

Quantity Value Units Method Reference Comment
Δr127.kJ/molPHPMSMeot-Ner (Mautner), 1992gas phase; switching reaction(CH3CNH+)CH3CN; Lias, Liebman, et al., 1984, Deakyne, Meot-Ner (Mautner), et al., 1986; M
Δr132.kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Δr112.J/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; switching reaction(CH3CNH+)CH3CN; Lias, Liebman, et al., 1984, Deakyne, Meot-Ner (Mautner), et al., 1986; M
Δr126.J/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Δr94.6kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

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

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

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

Quantity Value Units Method Reference Comment
Δr90.4kJ/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Δr79.1kJ/molPHPMSHiraoka, Morise, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr131.J/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
Δr96.2J/mol*KPHPMSHiraoka, Morise, et al., 1986gas phase; M

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

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

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

Quantity Value Units Method Reference Comment
Δr60.2kJ/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Δr59.4kJ/molPHPMSHiraoka, Morise, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr107.J/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
Δr99.6J/mol*KPHPMSHiraoka, Morise, et al., 1986gas phase; M

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

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

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

Quantity Value Units Method Reference Comment
Δr49.8kJ/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Δr49.0kJ/molPHPMSHiraoka, Morise, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr104.J/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
Δr96.2J/mol*KPHPMSHiraoka, Morise, et al., 1986gas phase; M

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

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

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

Quantity Value Units Method Reference Comment
Δr45.6kJ/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Quantity Value Units Method Reference Comment
Δr106.J/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M

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

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

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

Quantity Value Units Method Reference Comment
Δr46.4kJ/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Quantity Value Units Method Reference Comment
Δr120.J/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M

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

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

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

Quantity Value Units Method Reference Comment
Δr45.6kJ/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Quantity Value Units Method Reference Comment
Δr128.J/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M

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

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

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

Quantity Value Units Method Reference Comment
Δr46.kJ/molPHPMSMeot-Ner (Mautner), 1992gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr130.J/mol*KN/AMeot-Ner (Mautner), 1992gas phase; Entropy change calculated or estimated; M

Free energy of reaction

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

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

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

Quantity Value Units Method Reference Comment
Δr181.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
Δr129.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
121.468.PHPMSWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder((CH3)3Si+))H2O, Entropy change calculated or estimated; M

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

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

Quantity Value Units Method Reference Comment
Δr149.kJ/molPHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr130.J/mol*KN/AStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
78.2525.PHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

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

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

Quantity Value Units Method Reference Comment
Δr114. ± 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
Δr123.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
Δr77.8 ± 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

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

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

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

Quantity Value Units Method Reference Comment
Δr133.kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Δr122.J/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Δr96.2kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

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

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

Quantity Value Units Method Reference Comment
Δr113. ± 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
Δr76.1 ± 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

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

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

Quantity Value Units Method Reference Comment
Δr62.8kJ/molPHPMSSieck and Meot-ner, 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr109.J/mol*KPHPMSSieck and Meot-ner, 1989gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr94. ± 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
Δr123.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
Δr57.7 ± 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

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

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

Quantity Value Units Method Reference Comment
Δr85.4 ± 2.1kJ/molTDAsHiraoka, 1987gas phase; B,B,M
Δr74.1 ± 8.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Δr121.J/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Δr97.1J/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
Δr48.95kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B
Δr49.0 ± 8.4kJ/molTDAsHiraoka, 1987gas phase; B
Δr45.2 ± 8.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M

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

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

Quantity Value Units Method Reference Comment
Δr66.1 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Δr106.J/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr34. ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr59.4 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Δr131.J/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr20. ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr55.6 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Δr134.J/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr15. ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr52.7 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Δr138.J/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr11. ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr48.5 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Δr130.J/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr9.6 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr46.0 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Δr126.J/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr7.9 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr45.2 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B,M
Quantity Value Units Method Reference Comment
Δr130.J/mol*KN/AHiraoka and Mizuse, 1987gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr7.5 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B

Fluorine anion + 1-Propanol = C3H7D8FO-

By formula: F- + C3H8O = C3H7D8FO-

Quantity Value Units Method Reference Comment
Δr102. ± 8.4kJ/molIMREWilkinson, Szulejko, et al., 1992gas phase; Reported relative to ROH..F-, 0.5 kcal/mol weaker.; B

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

By formula: F- + C3H8O = (F- • C3H8O)

Quantity Value Units Method Reference Comment
Δr135. ± 8.4kJ/molIMRELarson and McMahon, 1983gas phase; B,M
Quantity Value Units Method Reference Comment
Δr106.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
Δr103. ± 8.4kJ/molIMRELarson and McMahon, 1983gas phase; B,M

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

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

Quantity Value Units Method Reference Comment
Δr171. ± 7.9kJ/molCIDTRodgers and Armentrout, 2000RCD

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

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

Quantity Value Units Method Reference Comment
Δr270. ± 20.kJ/molICROperti, Tews, et al., 1988gas phase; switching reaction,Thermochemical ladder(Mg+)CH3OH; M

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

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

Quantity Value Units Method Reference Comment
Δr108. ± 4.2kJ/molCIDTArmentrout and Rodgers, 2000RCD
Δr108. ± 4.2kJ/molCIDTRodgers and Armentrout, 1999RCD

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
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.

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Lias, Liebman, et al., 1984
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Meot-Ner(Mautner), 1986
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Notes

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