1-Propanol

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry 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:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
ΔfH°gas-61.2 ± 0.7kcal/molAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
S°gas77.077cal/mol*KN/AChao J., 1986Other values based on low-temperature thermal measurements are: 321.6 [ Buckley E., 1967], 321.7 [ Counsell J.F., 1968], 322.59 [ Green J.H.S., 1961], 323.42 [ Chermin H.A.G., 1961], and 324.72 J/mol*K [ Wilhoit R.C., 1973].; GT

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
9.69950.Thermodynamics Research Center, 1997p=1 bar. Discrepancies with other statistically calculated S(T) and Cp(T) values [ Green J.H.S., 1961, Mathews J.F., 1961, Chao J., 1986, 2], [ Chermin H.A.G., 1961], and [ Kobe K.A., 1951, Zhuravlev E.Z., 1959] amount up to 2.5, 4, and 7 J/mol*K, respectively. Please also see Chao J., 1986.; GT
12.32100.
14.08150.
15.86200.
19.17273.15
20.45 ± 0.033298.15
20.54300.
25.820400.
30.638500.
34.754600.
38.253700.
41.257800.
43.860900.
46.1211000.
48.0931100.
49.8091200.
51.3071300.
52.6151400.
53.7601500.
56.051750.
57.702000.
58.942250.
59.872500.
60.72750.
61.23000.

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
24.441 ± 0.048371.2Stromsoe E., 1970Ideal gas heat capacities are given by [ Stromsoe E., 1970] as a linear function Cp=f1*(a+bT). This expression approximates the experimental values with the average deviation of 0.96 J/mol*K. The accuracy of the experimental heat capacities [ Stromsoe E., 1970] is estimated as less than 0.3%. Please also see Mathews J.F., 1961.; GT
25.64 ± 0.23375.45
25.97 ± 0.23383.05
26.15 ± 0.23387.15
25.440 ± 0.050391.2
26.58 ± 0.23396.95
27.15 ± 0.23409.95
26.391 ± 0.053411.2
27.62 ± 0.23420.75
27.72 ± 0.23422.95
27.330 ± 0.055431.2
28.37 ± 0.23437.95
28.351 ± 0.057451.2
29.38 ± 0.23461.05
30.01 ± 0.23475.35
31.30 ± 0.23504.95
31.60 ± 0.23511.85
32.50 ± 0.23532.35
33.71 ± 0.23560.05
34.53 ± 0.23578.85
35.60 ± 0.23603.25

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry 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:
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
ΔfH°liquid-72.309 ± 0.060kcal/molCcbMosselman and Dekker, 1975ALS
ΔfH°liquid-72.42 ± 0.31kcal/molEqkConnett, 1972ALS
ΔfH°liquid-72.79 ± 0.09kcal/molCcbChao and Rossini, 1965see Rossini, 1934; ALS
ΔfH°liquid-72.3 ± 1.0kcal/molCcbSnelson and Skinner, 1961ALS
ΔfH°liquid-73.20 ± 0.24kcal/molCcbGreen, 1960ALS
Quantity Value Units Method Reference Comment
ΔcH°liquid-483.105 ± 0.060kcal/molCcbMosselman and Dekker, 1975Corresponding ΔfHºliquid = -72.309 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
ΔcH°liquid-482.64 ± 0.07kcal/molCcbChao and Rossini, 1965see Rossini, 1934; Corresponding ΔfHºliquid = -72.77 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
ΔcH°liquid-483.12 ± 0.18kcal/molCcbSnelson and Skinner, 1961Corresponding ΔfHºliquid = -72.29 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
ΔcH°liquid-482.23 ± 0.24kcal/molCcbGreen, 1960Corresponding ΔfHºliquid = -73.18 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
ΔcH°liquid-485.801kcal/molCcbRichards and Davis, 1920At 291 K; Corresponding ΔfHºliquid = -69.613 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
S°liquid46.08cal/mol*KN/ACounsell, Lees, et al., 1968DH
S°liquid51.20cal/mol*KN/AParks and Huffman, 1926Extrapolation below 90 K, 64.85 J/mol*K.; DH
Quantity Value Units Method Reference Comment
S°solid,1 bar26.94cal/mol*KN/ACounsell, Lees, et al., 1968glass phase; DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
34.56298.Korolev, Kukharenko, et al., 1986DH
34.407298.15Tanaka, Toyama, et al., 1986DH
34.522298.15Zegers and Somsen, 1984DH
33.078288.15Benson and D'Arcy, 1982DH
35.105298.15Villamanan, Casanova, et al., 1982DH
33.89293.15Arutyunyan, Bagdasaryan, et al., 1981T = 293 to 353 K. p = 0.1 MPa. Unsmoothed experimental datum given as 2.360 kJ/kg*K. Cp given from 293.25 to 533.15 K for pressure range 10 to 60 MPa.; DH
34.976298.216Kalinowska, Jedlinska, et al., 1980T = 185 to 300 K. Unsmoothed experimental datum.; DH
35.35303.4Griigo'ev, Yanin, et al., 1979T = 303 to 463 K. p = 0.98 bar.; DH
34.362298.15Vesely, Zabransky, et al., 1979DH
35.61298.15Murthy and Subrahmanyam, 1977DH
34.364298.15Vesely, Svoboda, et al., 1977DH
34.386298.15Fortier, Benson, et al., 1976DH
34.4316298.15Fortier and Benson, 1976DH
37.91313.2Paz Andrade, Paz, et al., 1970DH
34.37298.15Counsell, Lees, et al., 1968T = 11 to 350 K.; DH
34.92298.Recko, 1968T = 24 to 40°C, equation only.; DH
37.19320.Swietoslawski and Zielenkiewicz, 1960Mean value 21 to 74°C.; DH
33.511303.Eucken and Eigen, 1951T = 303 to 393 K.; DH
34.80298.1Zhdanov, 1941T = 5 to 46°C.; DH
39.39301.2Phillip, 1939DH
32.50270.Mitsukuri and Hara, 1929T = 170 to 270 K.; DH
46.10298.1Parks, Kelley, et al., 1929Extrapolation below 90 K, 43.5 J/mol*K. Revision of previous data.; DH
31.91275.4Parks and Huffman, 1927T = 86 to 275 K. Value is unsmoothed experimental datum.; DH
31.91275.0Parks and Huffman, 1926T = 86 to 275 K. Value is unsmoothed experimental datum.; DH
31.38274.6Gibson, Parks, et al., 1920T = 77 to 274.6 K. Unsmoothed experimental datum.; DH
34.61298.von Reis, 1881T = 289 to 363 K.; DH

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
25.41150.Counsell, Lees, et al., 1968glass phase; T = 10 to 150 K.; DH

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
RCD - Robert C. Dunbar

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

Individual Reactions

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

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

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

Quantity Value Units Method Reference Comment
ΔrH°30.4kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; switching reaction(CH3CNH+)CH3CN; Lias, Liebman, et al., 1984, Deakyne, Meot-Ner (Mautner), et al., 1986; M
ΔrH°31.6kcal/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
ΔrS°26.7cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; switching reaction(CH3CNH+)CH3CN; Lias, Liebman, et al., 1984, Deakyne, Meot-Ner (Mautner), et al., 1986; M
ΔrS°30.2cal/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
ΔrG°22.6kcal/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

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

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

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

Quantity Value Units Method Reference Comment
ΔrH°30.3kcal/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
ΔrS°28.4cal/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
ΔrG°21.8kcal/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

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

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

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

Quantity Value Units Method Reference Comment
ΔrH°31.7kcal/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
ΔrS°29.2cal/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
ΔrG°23.0kcal/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

C3H7O- + Hydrogen cation = 1-Propanol

By formula: C3H7O- + H+ = C3H8O

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

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

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

Quantity Value Units Method Reference Comment
ΔrH°27.3 ± 2.9kcal/molN/ACaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M
Quantity Value Units Method Reference Comment
ΔrS°29.3cal/mol*KN/ACaldwell, Rozeboom, et al., 1984gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M
Quantity Value Units Method Reference Comment
ΔrG°18.6 ± 2.0kcal/molIMRECaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M

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

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

Quantity Value Units Method Reference Comment
ΔrH°22.5 ± 2.9kcal/molN/ACaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M
Quantity Value Units Method Reference Comment
ΔrS°29.3cal/mol*KN/ACaldwell, Rozeboom, et al., 1984gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M
Quantity Value Units Method Reference Comment
ΔrG°13.8 ± 2.0kcal/molIMRECaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M

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

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

Quantity Value Units Method Reference Comment
ΔrH°28.5 ± 2.9kcal/molN/ACaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M
Quantity Value Units Method Reference Comment
ΔrS°29.3cal/mol*KN/ACaldwell, Rozeboom, et al., 1984gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M
Quantity Value Units Method Reference Comment
ΔrG°19.4 ± 2.0kcal/molIMRECaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M

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

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

Quantity Value Units Method Reference Comment
ΔrH°20.40 ± 0.50kcal/molTDAsHiraoka, 1987gas phase; B,B,M
ΔrH°17.7 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°29.0cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
ΔrS°23.2cal/mol*KN/ALarson and McMahon, 1984gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M
Quantity Value Units Method Reference Comment
ΔrG°11.70kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B
ΔrG°11.7 ± 2.0kcal/molTDAsHiraoka, 1987gas phase; B
ΔrG°10.8 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M

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

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

Quantity Value Units Method Reference Comment
ΔrH°21.7kcal/molICRCaldwell, Rozeboom, et al., 1984gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M
Quantity Value Units Method Reference Comment
ΔrS°29.3cal/mol*KN/ACaldwell, Rozeboom, et al., 1984gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M
Quantity Value Units Method Reference Comment
ΔrG°13.0kcal/molICRCaldwell, Rozeboom, et al., 1984gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M

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

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

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

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
28.9468.PHPMSWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder((CH3)3Si+))H2O, Entropy change calculated or estimated; M

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

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

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

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
18.7525.PHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

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

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

Quantity Value Units Method Reference Comment
ΔrH°26.9 ± 2.9kcal/molN/ACaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
ΔrG°18.2 ± 2.0kcal/molIMRECaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B

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

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

Quantity Value Units Method Reference Comment
ΔrH°21.6 ± 2.9kcal/molN/ACaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
ΔrG°12.9 ± 2.0kcal/molIMRECaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B

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

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

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

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

Free energy of reaction

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

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

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

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

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

By formula: F- + C3H8O = (F- • C3H8O)

Quantity Value Units Method Reference Comment
ΔrH°32.3 ± 2.0kcal/molIMRELarson and McMahon, 1983gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°25.4cal/mol*KN/ALarson and McMahon, 1983gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Quantity Value Units Method Reference Comment
ΔrG°24.7 ± 2.0kcal/molIMRELarson and McMahon, 1983gas phase; B,M

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

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

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

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

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

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

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

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

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

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

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

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

Propanal + Hydrogen = 1-Propanol

By formula: C3H6O + H2 = C3H8O

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

Free energy of reaction

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

2-Propen-1-ol + Hydrogen = 1-Propanol

By formula: C3H6O + H2 = C3H8O

Quantity Value Units Method Reference Comment
ΔrH°-31.22 ± 0.42kcal/molChydDolliver, Gresham, et al., 1938gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -31.5 ± 0.3 kcal/mol; At 355°K; ALS

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

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

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

Fluorine anion + 1-Propanol = C3H7D8FO-

By formula: F- + C3H8O = C3H7D8FO-

Quantity Value Units Method Reference Comment
ΔrG°24.3 ± 2.0kcal/molIMREWilkinson, Szulejko, et al., 1992gas phase; Reported relative to ROH..F-, 0.5 kcal/mol weaker.; B

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

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

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

Propyl gallate + Water = Benzoic acid, 3,4,5-trihydroxy- + 1-Propanol

By formula: C10H12O5 + H2O = C7H6O5 + C3H8O

Quantity Value Units Method Reference Comment
ΔrH°-3.7 ± 1.6kcal/molEqkTewari, Schantz, et al., 1996liquid phase; solvent: Toluene; ALS

1-Propanol + Ethene, 1,1-dichloro-2,2-difluoro- = C5H8Cl2F2O

By formula: C3H8O + C2Cl2F2 = C5H8Cl2F2O

Quantity Value Units Method Reference Comment
ΔrH°-39.1 ± 0.4kcal/molCmKennedy, Lacher, et al., 1969gas phase; ALS

1-Propanol + Nitric acid = Nitric acid, propyl ester + Water

By formula: C3H8O + HNO3 = C3H7NO3 + H2O

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

Ketene + 1-Propanol = n-Propyl acetate

By formula: C2H2O + C3H8O = C5H10O2

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

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

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

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

Maleic anhydride + 1-Propanol = propyl hydrogen maleate

By formula: C4H2O3 + C3H8O = propyl hydrogen maleate

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

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry 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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Notes

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