1-Propanol

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Condensed phase thermochemistry data

Go To: Top, Phase change 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-302.54 ± 0.25kJ/molCcbMosselman and Dekker, 1975ALS
ΔfH°liquid-303.0 ± 1.3kJ/molEqkConnett, 1972ALS
ΔfH°liquid-304.6 ± 0.4kJ/molCcbChao and Rossini, 1965see Rossini, 1934; ALS
ΔfH°liquid-302.5 ± 4.2kJ/molCcbSnelson and Skinner, 1961ALS
ΔfH°liquid-306.3 ± 1.0kJ/molCcbGreen, 1960ALS
Quantity Value Units Method Reference Comment
ΔcH°liquid-2021.31 ± 0.25kJ/molCcbMosselman and Dekker, 1975Corresponding ΔfHºliquid = -302.54 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
ΔcH°liquid-2019.4 ± 0.3kJ/molCcbChao and Rossini, 1965see Rossini, 1934; Corresponding ΔfHºliquid = -304.5 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
ΔcH°liquid-2021.4 ± 0.75kJ/molCcbSnelson and Skinner, 1961Corresponding ΔfHºliquid = -302.5 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
ΔcH°liquid-2017.7 ± 1.0kJ/molCcbGreen, 1960Corresponding ΔfHºliquid = -306.2 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
ΔcH°liquid-2032.59kJ/molCcbRichards and Davis, 1920At 291 K; Corresponding ΔfHºliquid = -291.26 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
S°liquid192.8J/mol*KN/ACounsell, Lees, et al., 1968DH
S°liquid214.2J/mol*KN/AParks and Huffman, 1926Extrapolation below 90 K, 64.85 J/mol*K.; DH
Quantity Value Units Method Reference Comment
S°solid,1 bar112.7J/mol*KN/ACounsell, Lees, et al., 1968glass phase; DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
144.6298.Korolev, Kukharenko, et al., 1986DH
143.96298.15Tanaka, Toyama, et al., 1986DH
144.44298.15Zegers and Somsen, 1984DH
138.40288.15Benson and D'Arcy, 1982DH
146.88298.15Villamanan, Casanova, et al., 1982DH
141.8293.15Arutyunyan, 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
146.34298.216Kalinowska, Jedlinska, et al., 1980T = 185 to 300 K. Unsmoothed experimental datum.; DH
147.9303.4Griigo'ev, Yanin, et al., 1979T = 303 to 463 K. p = 0.98 bar.; DH
143.77298.15Vesely, Zabransky, et al., 1979DH
149.0298.15Murthy and Subrahmanyam, 1977DH
143.78298.15Vesely, Svoboda, et al., 1977DH
143.87298.15Fortier, Benson, et al., 1976DH
144.062298.15Fortier and Benson, 1976DH
158.6313.2Paz Andrade, Paz, et al., 1970DH
143.8298.15Counsell, Lees, et al., 1968T = 11 to 350 K.; DH
146.1298.Recko, 1968T = 24 to 40°C, equation only.; DH
155.6320.Swietoslawski and Zielenkiewicz, 1960Mean value 21 to 74°C.; DH
140.21303.Eucken and Eigen, 1951T = 303 to 393 K.; DH
145.6298.1Zhdanov, 1941T = 5 to 46°C.; DH
164.8301.2Phillip, 1939DH
136.0270.Mitsukuri and Hara, 1929T = 170 to 270 K.; DH
192.9298.1Parks, Kelley, et al., 1929Extrapolation below 90 K, 43.5 J/mol*K. Revision of previous data.; DH
133.5275.4Parks and Huffman, 1927T = 86 to 275 K. Value is unsmoothed experimental datum.; DH
133.5275.0Parks and Huffman, 1926T = 86 to 275 K. Value is unsmoothed experimental datum.; DH
131.3274.6Gibson, Parks, et al., 1920T = 77 to 274.6 K. Unsmoothed experimental datum.; DH
144.8298.von Reis, 1881T = 289 to 363 K.; DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
106.3150.Counsell, Lees, et al., 1968glass phase; T = 10 to 150 K.; DH

Phase change 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:
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., 1968, 2Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple147.0KN/AParks and Huffman, 1926, 2Uncertainty 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
ΔvapH°47. ± 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., 1968DH
5.4148.7van Miltenburg and van den Berg, 2004AC
5.37148.8Counsell, Lees, et al., 1968, 2AC
5.192147.0Parks and Huffman, 1926DH

Entropy of fusion

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

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

Reaction thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change 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°127.kJ/molPHPMSMeot-Ner (Mautner), 1992gas phase; switching reaction(CH3CNH+)CH3CN; Lias, Liebman, et al., 1984, Deakyne, Meot-Ner (Mautner), et al., 1986; M
ΔrH°132.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
ΔrS°112.J/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; switching reaction(CH3CNH+)CH3CN; Lias, Liebman, et al., 1984, Deakyne, Meot-Ner (Mautner), et al., 1986; M
ΔrS°126.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
ΔrG°94.6kJ/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

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°127.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
ΔrS°119.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
ΔrG°91.2kJ/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

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°133.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
ΔrS°122.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
ΔrG°96.2kJ/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

C3H7O- + Hydrogen cation = 1-Propanol

By formula: C3H7O- + H+ = C3H8O

Quantity Value Units Method Reference Comment
ΔrH°1572. ± 5.4kJ/molD-EAEllison, Engleking, et al., 1982gas phase; B
ΔrH°1573. ± 8.8kJ/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
ΔrH°1574. ± 8.4kJ/molCIDCHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
Quantity Value Units Method Reference Comment
ΔrG°1545. ± 5.9kJ/molH-TSEllison, Engleking, et al., 1982gas phase; B
ΔrG°1546. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
ΔrG°1546. ± 8.8kJ/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°114. ± 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
ΔrS°123.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
ΔrG°77.8 ± 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

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

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

Quantity Value Units Method Reference Comment
ΔrH°94. ± 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
ΔrS°123.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
ΔrG°57.7 ± 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

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

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

Quantity Value Units Method Reference Comment
ΔrH°119. ± 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
ΔrS°123.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
ΔrG°81.2 ± 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

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

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

Quantity Value Units Method Reference Comment
ΔrH°85.4 ± 2.1kJ/molTDAsHiraoka, 1987gas phase; B,B,M
ΔrH°74.1 ± 8.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°121.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°48.95kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B
ΔrG°49.0 ± 8.4kJ/molTDAsHiraoka, 1987gas phase; B
ΔrG°45.2 ± 8.4kJ/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°90.8kJ/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
ΔrS°123.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
ΔrG°54.4kJ/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

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

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

Quantity Value Units Method Reference Comment
ΔrH°181.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
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
ΔrH°149.kJ/molPHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°130.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

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

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

Quantity Value Units Method Reference Comment
ΔrH°113. ± 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
ΔrG°76.1 ± 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

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

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

Quantity Value Units Method Reference Comment
ΔrH°90. ± 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
ΔrG°54.0 ± 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

(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°46.kJ/molPHPMSMeot-Ner (Mautner), 1992gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°130.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

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

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

Quantity Value Units Method Reference Comment
ΔrH°45.2 ± 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°7.5 ± 4.2kJ/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°135. ± 8.4kJ/molIMRELarson and McMahon, 1983gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°106.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°103. ± 8.4kJ/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°60.2kJ/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
ΔrH°59.4kJ/molPHPMSHiraoka, Morise, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°107.J/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
ΔrS°99.6J/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
ΔrH°49.8kJ/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
ΔrH°49.0kJ/molPHPMSHiraoka, Morise, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°104.J/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
ΔrS°96.2J/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°90.4kJ/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
ΔrH°79.1kJ/molPHPMSHiraoka, Morise, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°131.J/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
ΔrS°96.2J/mol*KPHPMSHiraoka, Morise, et al., 1986gas phase; M

Propanal + Hydrogen = 1-Propanol

By formula: C3H6O + H2 = C3H8O

Quantity Value Units Method Reference Comment
ΔrH°-84.3 ± 0.4kJ/molCmWiberg, Crocker, et al., 1991liquid phase; solvent: Triglyme; Heat of hydrogenation; ALS
ΔrH°-69.55 ± 0.76kJ/molEqkConnett, 1972gas phase; At 473-524 K; ALS
ΔrH°-65.77 ± 0.67kJ/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°59.4 ± 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°20. ± 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
ΔrH°55.6 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°134.J/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°15. ± 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
ΔrH°52.7 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°138.J/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°11. ± 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
ΔrH°48.5 ± 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°9.6 ± 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
ΔrH°46.0 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°126.J/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°7.9 ± 4.2kJ/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°66.1 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°106.J/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°34. ± 4.2kJ/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°45.6kJ/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°106.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
ΔrH°46.4kJ/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°120.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
ΔrH°45.6kJ/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°128.J/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°92.0kJ/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°107.J/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°108. ± 4.2kJ/molCIDTArmentrout and Rodgers, 2000RCD
ΔrH°108. ± 4.2kJ/molCIDTRodgers and Armentrout, 1999RCD

Free energy of reaction

ΔrG° (kJ/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°-130.6 ± 1.8kJ/molChydDolliver, Gresham, et al., 1938gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -132. ± 1. kJ/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°62.8kJ/molPHPMSSieck and Meot-ner, 1989gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°109.J/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°102. ± 8.4kJ/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°270. ± 20.kJ/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°-15.4 ± 6.6kJ/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°-164. ± 2.kJ/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°-21.8kJ/molEqkRubtsov, 1986liquid phase; ALS

Ketene + 1-Propanol = n-Propyl acetate

By formula: C2H2O + C3H8O = C5H10O2

Quantity Value Units Method Reference Comment
ΔrH°-147.8kJ/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°171. ± 7.9kJ/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°-35.kJ/molKinTribunescu, Poraicu, et al., 1978liquid phase; ALS

References

Go To: Top, Condensed phase thermochemistry data, Phase change 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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