1-Propanol

Formula: C₃H₈O
Molecular weight: 60.0950
IUPAC Standard InChI: InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3
IUPAC Standard InChIKey: BDERNNFJNOPAEC-UHFFFAOYSA-N
CAS Registry Number: 71-23-8
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript.
Other names: Propyl alcohol; n-Propan-1-ol; n-Propanol; n-Propyl alcohol; Ethylcarbinol; Optal; Osmosol extra; Propanol; Propylic alcohol; 1-Propyl alcohol; n-C3H7OH; 1-Hydroxypropane; Propanol-1; Propan-1-ol; n-Propyl alkohol; Alcool propilico; Alcool propylique; Propanole; Propanolen; Propanoli; Propylowy alkohol; UN 1274; Propylan-propyl alcohol; NSC 30300; Alcohol, propyl
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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, References, Notes

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
Δ_fH°_gas	-256. ± 3.	kJ/mol	AVG	N/A	Average of 7 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
S°_gas	322.49	J/mol*K	N/A	Chao J., 1986	Other 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

C_p,gas (J/mol*K)	Temperature (K)	Reference	Comment
40.58	50.	Thermodynamics Research Center, 1997	p=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
51.53	100.
58.92	150.
66.37	200.
80.19	273.15
85.56 ± 0.14	298.15
85.96	300.
108.03	400.
128.19	500.
145.41	600.
160.05	700.
172.62	800.
183.51	900.
192.97	1000.
201.22	1100.
208.40	1200.
214.67	1300.
220.14	1400.
224.93	1500.
234.5	1750.
241.4	2000.
246.6	2250.
250.5	2500.
254.	2750.
256.	3000.

Constant pressure heat capacity of gas

C_p,gas (J/mol*K)	Temperature (K)	Reference	Comment
102.26 ± 0.20	371.2	Stromsoe E., 1970	Ideal 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/molK. 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
107.28 ± 0.96	375.45
108.67 ± 0.96	383.05
109.42 ± 0.96	387.15
106.44 ± 0.21	391.2
111.21 ± 0.96	396.95
113.59 ± 0.96	409.95
110.42 ± 0.22	411.2
115.56 ± 0.96	420.75
115.97 ± 0.96	422.95
114.35 ± 0.23	431.2
118.71 ± 0.96	437.95
118.62 ± 0.24	451.2
122.94 ± 0.96	461.05
125.55 ± 0.96	475.35
130.97 ± 0.96	504.95
132.23 ± 0.96	511.85
135.98 ± 0.96	532.35
141.05 ± 0.96	560.05
144.49 ± 0.96	578.85
148.95 ± 0.96	603.25

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, References, Notes

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
Δ_fH°_liquid	-302.54 ± 0.25	kJ/mol	Ccb	Mosselman and Dekker, 1975	ALS
Δ_fH°_liquid	-303.0 ± 1.3	kJ/mol	Eqk	Connett, 1972	ALS
Δ_fH°_liquid	-304.6 ± 0.4	kJ/mol	Ccb	Chao and Rossini, 1965	see Rossini, 1934; ALS
Δ_fH°_liquid	-302.5 ± 4.2	kJ/mol	Ccb	Snelson and Skinner, 1961	ALS
Δ_fH°_liquid	-306.3 ± 1.0	kJ/mol	Ccb	Green, 1960	ALS
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_liquid	-2021.31 ± 0.25	kJ/mol	Ccb	Mosselman and Dekker, 1975	Corresponding Δ_fHº_liquid = -302.54 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δ_cH°_liquid	-2019.4 ± 0.3	kJ/mol	Ccb	Chao and Rossini, 1965	see Rossini, 1934; Corresponding Δ_fHº_liquid = -304.5 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δ_cH°_liquid	-2021.4 ± 0.75	kJ/mol	Ccb	Snelson and Skinner, 1961	Corresponding Δ_fHº_liquid = -302.5 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δ_cH°_liquid	-2017.7 ± 1.0	kJ/mol	Ccb	Green, 1960	Corresponding Δ_fHº_liquid = -306.2 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δ_cH°_liquid	-2032.59	kJ/mol	Ccb	Richards and Davis, 1920	At 291 K; Corresponding Δ_fHº_liquid = -291.26 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity	Value	Units	Method	Reference	Comment
S°_liquid	192.8	J/mol*K	N/A	Counsell, Lees, et al., 1968	DH
S°_liquid	214.2	J/mol*K	N/A	Parks and Huffman, 1926	Extrapolation below 90 K, 64.85 J/mol*K.; DH
Quantity	Value	Units	Method	Reference	Comment
S°_{solid,1 bar}	112.7	J/mol*K	N/A	Counsell, Lees, et al., 1968	glass phase; DH

Constant pressure heat capacity of liquid

C_p,liquid (J/mol*K)	Temperature (K)	Reference	Comment
144.6	298.	Korolev, Kukharenko, et al., 1986	DH
143.96	298.15	Tanaka, Toyama, et al., 1986	DH
144.44	298.15	Zegers and Somsen, 1984	DH
138.40	288.15	Benson and D'Arcy, 1982	DH
146.88	298.15	Villamanan, Casanova, et al., 1982	DH
141.8	293.15	Arutyunyan, Bagdasaryan, et al., 1981	T = 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
146.34	298.216	Kalinowska, Jedlinska, et al., 1980	T = 185 to 300 K. Unsmoothed experimental datum.; DH
147.9	303.4	Griigo'ev, Yanin, et al., 1979	T = 303 to 463 K. p = 0.98 bar.; DH
143.77	298.15	Vesely, Zabransky, et al., 1979	DH
149.0	298.15	Murthy and Subrahmanyam, 1977	DH
143.78	298.15	Vesely, Svoboda, et al., 1977	DH
143.87	298.15	Fortier, Benson, et al., 1976	DH
144.062	298.15	Fortier and Benson, 1976	DH
158.6	313.2	Paz Andrade, Paz, et al., 1970	DH
143.8	298.15	Counsell, Lees, et al., 1968	T = 11 to 350 K.; DH
146.1	298.	Recko, 1968	T = 24 to 40°C, equation only.; DH
155.6	320.	Swietoslawski and Zielenkiewicz, 1960	Mean value 21 to 74°C.; DH
140.21	303.	Eucken and Eigen, 1951	T = 303 to 393 K.; DH
145.6	298.1	Zhdanov, 1941	T = 5 to 46°C.; DH
164.8	301.2	Phillip, 1939	DH
136.0	270.	Mitsukuri and Hara, 1929	T = 170 to 270 K.; DH
192.9	298.1	Parks, Kelley, et al., 1929	Extrapolation below 90 K, 43.5 J/mol*K. Revision of previous data.; DH
133.5	275.4	Parks and Huffman, 1927	T = 86 to 275 K. Value is unsmoothed experimental datum.; DH
133.5	275.0	Parks and Huffman, 1926	T = 86 to 275 K. Value is unsmoothed experimental datum.; DH
131.3	274.6	Gibson, Parks, et al., 1920	T = 77 to 274.6 K. Unsmoothed experimental datum.; DH
144.8	298.	von Reis, 1881	T = 289 to 363 K.; DH

Constant pressure heat capacity of solid

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

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, References, Notes

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
T_boil	370.3 ± 0.5	K	AVG	N/A	Average of 127 out of 139 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
T_fus	146.7	K	N/A	Tschamler, Richter, et al., 1949	Uncertainty assigned by TRC = 0.5 K; TRC
T_fus	147.	K	N/A	Timmermans, 1935	Uncertainty assigned by TRC = 3. K; TRC
Quantity	Value	Units	Method	Reference	Comment
T_triple	148.75	K	N/A	Wilhoit, Chao, et al., 1985	Uncertainty assigned by TRC = 0.02 K; TRC
T_triple	148.75	K	N/A	Counsell, Lees, et al., 1968, 2	Uncertainty assigned by TRC = 0.02 K; TRC
T_triple	147.0	K	N/A	Parks and Huffman, 1926, 2	Uncertainty assigned by TRC = 0.3 K; TRC
Quantity	Value	Units	Method	Reference	Comment
T_c	536.9 ± 0.8	K	AVG	N/A	Average of 20 out of 25 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
P_c	52. ± 1.	bar	AVG	N/A	Average of 12 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
V_c	0.218	l/mol	N/A	Gude and Teja, 1995
V_c	0.216	l/mol	N/A	Zawisza and Vejrosta, 1982	Uncertainty assigned by TRC = 0.001 l/mol; Visual; TRC
Quantity	Value	Units	Method	Reference	Comment
ρ_c	4.58 ± 0.06	mol/l	AVG	N/A	Average of 7 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
Δ_vapH°	47. ± 1.	kJ/mol	AVG	N/A	Average of 15 values; Individual data points

Enthalpy of vaporization

Δ_vapH (kJ/mol)	Temperature (K)	Method	Reference	Comment
41.44	370.3	N/A	Majer and Svoboda, 1985
41.2	371.	N/A	Wormald and Vine, 2000	AC
35.2	423.	N/A	Wormald and Vine, 2000	AC
29.4	453.	N/A	Wormald and Vine, 2000	AC
21.0	498.	N/A	Wormald and Vine, 2000	AC
11.4	528.	N/A	Wormald and Vine, 2000	AC
47.0	318.	N/A	Aucejo, Gonzalez-Alfaro, et al., 1995	Based on data from 303. to 370. K.; AC
42.9	375.	N/A	Ortega, Susial, et al., 1990	Based on data from 360. to 377. K.; AC
48.0	214.	A	Stephenson and Malanowski, 1987	Based on data from 200. to 228. K.; AC
43.5	366.	A	Stephenson and Malanowski, 1987	Based on data from 356. to 376. K.; AC
42.3	384.	A	Stephenson and Malanowski, 1987	Based on data from 369. to 407. K.; AC
40.1	416.	A	Stephenson and Malanowski, 1987	Based on data from 401. to 482. K.; AC
36.5	492.	A	Stephenson and Malanowski, 1987	Based on data from 478. to 507. K.; AC
46.4 ± 0.1	313.	C	Svoboda, Veselý, et al., 1973	AC
45.7 ± 0.1	323.	C	Svoboda, Veselý, et al., 1973	AC
44.9 ± 0.1	333.	C	Svoboda, Veselý, et al., 1973	AC
44.0 ± 0.1	343.	C	Svoboda, Veselý, et al., 1973	AC
43.2 ± 0.1	353.	C	Svoboda, Veselý, et al., 1973	AC
42.4 ± 0.1	363.	C	Svoboda, Veselý, et al., 1973	AC
49.3	290.	N/A	Wilhoit and Zwolinski, 1973	Based on data from 275. to 373. K.; AC
44.7	348.	EB	Ambrose, Counsell, et al., 1970	Based on data from 333. to 377. K. See also Stephenson and Malanowski, 1987.; AC
46.9	307.	DTA	Kemme and Kreps, 1969	Based on data from 292. to 370. K.; AC
46.7	303.	N/A	Van Ness, Soczek, et al., 1967	Based on data from 288. to 348. K.; AC
40.7	420.	N/A	Ambrose and Townsend, 1963	Based on data from 405. to 537. K.; AC
44.3	353.	EB	Biddiscombe, Collerson, et al., 1963	Based on data from 338. to 378. K.; AC
44.1	358.	N/A	Mathews and McKetta, 1961	Based on data from 343. to 385. K.; AC
43.9 ± 0.1	343.	C	Mathews and McKetta, 1961	AC
42.3 ± 0.1	360.	C	Mathews and McKetta, 1961	AC
41.2 ± 0.1	370.	C	Mathews and McKetta, 1961	AC
40.3 ± 0.1	378.	C	Mathews and McKetta, 1961	AC
39.7 ± 0.1	384.	C	Mathews and McKetta, 1961	AC
45.5	321. to 367.	N/A	Aronovich, Kastorskii, et al., 1959	AC
43.2	354.	N/A	Williamson and Harrison, 1957	AC
44.99 ± 0.42	333.13	V	Williamson and Harrison, 1957, 2	ALS

Enthalpy of vaporization

Δ_vapH = A exp(-αT_r) (1 − T_r)^β
Δ_vapH = Enthalpy of vaporization (at saturation pressure) (kJ/mol)
T_r = reduced temperature (T / T_c)

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Temperature (K)	298. to 390.
A (kJ/mol)	52.06
α	-0.8386
β	0.6888
T_c (K)	536.7
Reference	Majer 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 377.72	4.87601	1441.629	-74.299	Ambrose and Sprake, 1970	Coefficents calculated by NIST from author's data.
292.4 to 370.5	5.31384	1690.864	-51.804	Kemme and Kreps, 1969
405.46 to 536.71	4.59871	1300.491	-86.364	Ambrose and Townsend, 1963, 2	Coefficents calculated by NIST from author's data.

Enthalpy of fusion

Δ_fusH (kJ/mol)	Temperature (K)	Reference	Comment
5.372	148.75	Counsell, Lees, et al., 1968	DH
5.4	148.7	van Miltenburg and van den Berg, 2004	AC
5.37	148.8	Counsell, Lees, et al., 1968, 2	AC
5.192	147.0	Parks and Huffman, 1926	DH

Entropy of fusion

Δ_fusS (J/mol*K)	Temperature (K)	Reference	Comment
36.11	148.75	Counsell, Lees, et al., 1968	DH
35.3	147.0	Parks and Huffman, 1926	DH

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

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, References, Notes

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⁺ • )

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	127.	kJ/mol	PHPMS	Meot-Ner (Mautner), 1992	gas phase; switching reaction(CH3CNH+)CH3CN; Lias, Liebman, et al., 1984, Deakyne, Meot-Ner (Mautner), et al., 1986; M
Δ_rH°	132.	kJ/mol	ICR	Larson and McMahon, 1982	gas 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
Δ_rS°	112.	J/mol*K	PHPMS	Meot-Ner (Mautner), 1992	gas phase; switching reaction(CH3CNH+)CH3CN; Lias, Liebman, et al., 1984, Deakyne, Meot-Ner (Mautner), et al., 1986; M
Δ_rS°	126.	J/mol*K	N/A	Larson and McMahon, 1982	gas 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
Δ_rG°	94.6	kJ/mol	ICR	Larson and McMahon, 1982	gas 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⁺ • )

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	127.	kJ/mol	ICR	Larson and McMahon, 1982	gas 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
Δ_rS°	119.	J/mol*K	N/A	Larson and McMahon, 1982	gas 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
Δ_rG°	91.2	kJ/mol	ICR	Larson and McMahon, 1982	gas 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⁺ • )

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	133.	kJ/mol	ICR	Larson and McMahon, 1982	gas 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
Δ_rS°	122.	J/mol*K	N/A	Larson and McMahon, 1982	gas 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
Δ_rG°	96.2	kJ/mol	ICR	Larson and McMahon, 1982	gas 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^- + = 1-Propanol

By formula: C₃H₇O^- + H⁺ = C₃H₈O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1572. ± 5.4	kJ/mol	D-EA	Ellison, Engleking, et al., 1982	gas phase; B
Δ_rH°	1573. ± 8.8	kJ/mol	G+TS	Bartmess, Scott, et al., 1979	gas phase; value altered from reference due to change in acidity scale; B
Δ_rH°	1574. ± 8.4	kJ/mol	CIDC	Haas and Harrison, 1993	gas phase; Both metastable and 50 eV collision energy.; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1545. ± 5.9	kJ/mol	H-TS	Ellison, Engleking, et al., 1982	gas phase; B
Δ_rG°	1546. ± 8.4	kJ/mol	IMRE	Bartmess, Scott, et al., 1979	gas phase; value altered from reference due to change in acidity scale; B
Δ_rG°	1546. ± 8.8	kJ/mol	H-TS	Haas and Harrison, 1993	gas phase; Both metastable and 50 eV collision energy.; B

C₄H₉O^- + 1-Propanol = (C₄H₉O^- • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	114. ± 12.	kJ/mol	N/A	Caldwell, Rozeboom, et al., 1984	gas 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
Δ_rS°	123.	J/mol*K	N/A	Caldwell, Rozeboom, et al., 1984	gas 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
Δ_rG°	77.8 ± 8.4	kJ/mol	IMRE	Caldwell, Rozeboom, et al., 1984	gas 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^- • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	94. ± 12.	kJ/mol	N/A	Caldwell, Rozeboom, et al., 1984	gas 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
Δ_rS°	123.	J/mol*K	N/A	Caldwell, Rozeboom, et al., 1984	gas 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
Δ_rG°	57.7 ± 8.4	kJ/mol	IMRE	Caldwell, Rozeboom, et al., 1984	gas 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^- • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	119. ± 12.	kJ/mol	N/A	Caldwell, Rozeboom, et al., 1984	gas 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
Δ_rS°	123.	J/mol*K	N/A	Caldwell, Rozeboom, et al., 1984	gas 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
Δ_rG°	81.2 ± 8.4	kJ/mol	IMRE	Caldwell, Rozeboom, et al., 1984	gas 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

+ 1-Propanol = ( • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	85.4 ± 2.1	kJ/mol	TDAs	Hiraoka, 1987	gas phase; B,B,M
Δ_rH°	74.1 ± 8.4	kJ/mol	IMRE	Larson and McMahon, 1984	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	121.	J/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Δ_rS°	97.1	J/mol*K	N/A	Larson and McMahon, 1984	gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	48.95	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B
Δ_rG°	49.0 ± 8.4	kJ/mol	TDAs	Hiraoka, 1987	gas phase; B
Δ_rG°	45.2 ± 8.4	kJ/mol	IMRE	Larson and McMahon, 1984	gas phase; B,M

C₃H₅O⁺ + 1-Propanol = (C₃H₅O⁺ • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	90.8	kJ/mol	ICR	Caldwell, Rozeboom, et al., 1984	gas 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
Δ_rS°	123.	J/mol*K	N/A	Caldwell, Rozeboom, et al., 1984	gas 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
Δ_rG°	54.4	kJ/mol	ICR	Caldwell, Rozeboom, et al., 1984	gas 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⁺ • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	181.	kJ/mol	PHPMS	Wojtyniak and Stone, 1986	gas phase; switching reaction,Thermochemical ladder((CH3)3Si+))H2O, Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	129.	J/mol*K	N/A	Wojtyniak and Stone, 1986	gas phase; switching reaction,Thermochemical ladder((CH3)3Si+))H2O, Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
121.	468.	PHPMS	Wojtyniak and Stone, 1986	gas phase; switching reaction,Thermochemical ladder((CH3)3Si+))H2O, Entropy change calculated or estimated; M

C₃H₉Sn⁺ + 1-Propanol = (C₃H₉Sn⁺ • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	149.	kJ/mol	PHPMS	Stone and Splinter, 1984	gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	130.	J/mol*K	N/A	Stone and Splinter, 1984	gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

Free energy of reaction

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

C₅H₁₁O^- + 1-Propanol = (C₅H₁₁O^- • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	113. ± 12.	kJ/mol	N/A	Caldwell, Rozeboom, et al., 1984	gas 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
Δ_rG°	76.1 ± 8.4	kJ/mol	IMRE	Caldwell, Rozeboom, et al., 1984	gas 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^- • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	90. ± 12.	kJ/mol	N/A	Caldwell, Rozeboom, et al., 1984	gas 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
Δ_rG°	54.0 ± 8.4	kJ/mol	IMRE	Caldwell, Rozeboom, et al., 1984	gas 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⁺ • 7 1-Propanol ) + = (C₃H₉O⁺ • 8)

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	46.	kJ/mol	PHPMS	Meot-Ner (Mautner), 1992	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	130.	J/mol*K	N/A	Meot-Ner (Mautner), 1992	gas phase; Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
17.	215.	PHPMS	Meot-Ner (Mautner), 1992	gas phase; Entropy change calculated or estimated; M

( • 7 1-Propanol ) + = ( • 8)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	45.2 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; Estimated entropy; single temperature measurement; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	130.	J/mol*K	N/A	Hiraoka and Mizuse, 1987	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	7.5 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; Estimated entropy; single temperature measurement; B

+ 1-Propanol = ( • )

By formula: F^- + C₃H₈O = (F^- • C₃H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	135. ± 8.4	kJ/mol	IMRE	Larson and McMahon, 1983	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	106.	J/mol*K	N/A	Larson and McMahon, 1983	gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	103. ± 8.4	kJ/mol	IMRE	Larson and McMahon, 1983	gas phase; B,M

(C₃H₉O⁺ • 2 1-Propanol ) + = (C₃H₉O⁺ • 3)

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	60.2	kJ/mol	PHPMS	Meot-Ner (Mautner), 1992	gas phase; M
Δ_rH°	59.4	kJ/mol	PHPMS	Hiraoka, Morise, et al., 1986	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	107.	J/mol*K	PHPMS	Meot-Ner (Mautner), 1992	gas phase; M
Δ_rS°	99.6	J/mol*K	PHPMS	Hiraoka, Morise, et al., 1986	gas phase; M

(C₃H₉O⁺ • 3 1-Propanol ) + = (C₃H₉O⁺ • 4)

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	49.8	kJ/mol	PHPMS	Meot-Ner (Mautner), 1992	gas phase; M
Δ_rH°	49.0	kJ/mol	PHPMS	Hiraoka, Morise, et al., 1986	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	104.	J/mol*K	PHPMS	Meot-Ner (Mautner), 1992	gas phase; M
Δ_rS°	96.2	J/mol*K	PHPMS	Hiraoka, Morise, et al., 1986	gas phase; M

(C₃H₉O⁺ • 1-Propanol ) + = (C₃H₉O⁺ • 2)

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	90.4	kJ/mol	PHPMS	Meot-Ner (Mautner), 1992	gas phase; M
Δ_rH°	79.1	kJ/mol	PHPMS	Hiraoka, Morise, et al., 1986	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	131.	J/mol*K	PHPMS	Meot-Ner (Mautner), 1992	gas phase; M
Δ_rS°	96.2	J/mol*K	PHPMS	Hiraoka, Morise, et al., 1986	gas phase; M

+ = 1-Propanol

By formula: C₃H₆O + H₂ = C₃H₈O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-84.3 ± 0.4	kJ/mol	Cm	Wiberg, Crocker, et al., 1991	liquid phase; solvent: Triglyme; Heat of hydrogenation; ALS
Δ_rH°	-69.55 ± 0.76	kJ/mol	Eqk	Connett, 1972	gas phase; At 473-524 K; ALS
Δ_rH°	-65.77 ± 0.67	kJ/mol	Chyd	Buckley and Cox, 1967	gas phase; ALS

( • 2 1-Propanol ) + = ( • 3)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	59.4 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	131.	J/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	20. ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

( • 3 1-Propanol ) + = ( • 4)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	55.6 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	134.	J/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	15. ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

( • 4 1-Propanol ) + = ( • 5)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	52.7 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	138.	J/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	11. ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

( • 5 1-Propanol ) + = ( • 6)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	48.5 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	130.	J/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	9.6 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

( • 6 1-Propanol ) + = ( • 7)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	46.0 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	126.	J/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	7.9 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

( • 1-Propanol ) + = ( • 2)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	66.1 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	106.	J/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	34. ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

(C₃H₉O⁺ • 4 1-Propanol ) + = (C₃H₉O⁺ • 5)

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	45.6	kJ/mol	PHPMS	Meot-Ner (Mautner), 1992	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	106.	J/mol*K	PHPMS	Meot-Ner (Mautner), 1992	gas phase; M

(C₃H₉O⁺ • 5 1-Propanol ) + = (C₃H₉O⁺ • 6)

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	46.4	kJ/mol	PHPMS	Meot-Ner (Mautner), 1992	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	120.	J/mol*K	PHPMS	Meot-Ner (Mautner), 1992	gas phase; M

(C₃H₉O⁺ • 6 1-Propanol ) + = (C₃H₉O⁺ • 7)

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	45.6	kJ/mol	PHPMS	Meot-Ner (Mautner), 1992	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	128.	J/mol*K	PHPMS	Meot-Ner (Mautner), 1992	gas phase; M

CH₆N⁺ + 1-Propanol = (CH₆N⁺ • )

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	92.0	kJ/mol	PHPMS	Meot-Ner, 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	107.	J/mol*K	PHPMS	Meot-Ner, 1984	gas phase; M

+ 1-Propanol = ( • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	108. ± 4.2	kJ/mol	CIDT	Armentrout and Rodgers, 2000	RCD
Δ_rH°	108. ± 4.2	kJ/mol	CIDT	Rodgers and Armentrout, 1999	RCD

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
0.0	0.	CIDT	Rodgers and Armentrout, 1999	RCD

+ = 1-Propanol

By formula: C₃H₆O + H₂ = C₃H₈O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-130.6 ± 1.8	kJ/mol	Chyd	Dolliver, Gresham, et al., 1938	gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -132. ± 1. kJ/mol; At 355°K; ALS

+ 1-Propanol = ( • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	62.8	kJ/mol	PHPMS	Sieck and Meot-ner, 1989	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	109.	J/mol*K	PHPMS	Sieck and Meot-ner, 1989	gas phase; M

+ 1-Propanol = C₃H₇D₈FO^-

By formula: F^- + C₃H₈O = C₃H₇D₈FO^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	102. ± 8.4	kJ/mol	IMRE	Wilkinson, Szulejko, et al., 1992	gas phase; Reported relative to ROH..F-, 0.5 kcal/mol weaker.; B

+ 1-Propanol = ( • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	270. ± 20.	kJ/mol	ICR	Operti, Tews, et al., 1988	gas phase; switching reaction,Thermochemical ladder(Mg+)CH3OH; M

+ = + 1-Propanol

By formula: C₁₀H₁₂O₅ + H₂O = C₇H₆O₅ + C₃H₈O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-15.4 ± 6.6	kJ/mol	Eqk	Tewari, Schantz, et al., 1996	liquid phase; solvent: Toluene; ALS

1-Propanol + = C₅H₈Cl₂F₂O

By formula: C₃H₈O + C₂Cl₂F₂ = C₅H₈Cl₂F₂O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-164. ± 2.	kJ/mol	Cm	Kennedy, Lacher, et al., 1969	gas phase; ALS

1-Propanol + = +

By formula: C₃H₈O + HNO₃ = C₃H₇NO₃ + H₂O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-21.8	kJ/mol	Eqk	Rubtsov, 1986	liquid phase; ALS

+ 1-Propanol =

By formula: C₂H₂O + C₃H₈O = C₅H₁₀O₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-147.8	kJ/mol	Cm	Rice and Greenberg, 1934	gas phase; ALS

+ 1-Propanol = ( • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	171. ± 7.9	kJ/mol	CIDT	Rodgers and Armentrout, 2000	RCD

+ 1-Propanol =

By formula: C₄H₂O₃ + C₃H₈O = propyl hydrogen maleate

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-35.	kJ/mol	Kin	Tribunescu, Poraicu, et al., 1978	liquid phase; ALS

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, IR Spectrum, References, Notes

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 ± 0.06	eV	N/A	N/A	L
Quantity	Value	Units	Method	Reference	Comment
Proton affinity (review)	786.5	kJ/mol	N/A	Hunter and Lias, 1998	HL
Quantity	Value	Units	Method	Reference	Comment
Gas basicity	756.1	kJ/mol	N/A	Hunter and Lias, 1998	HL

Ionization energy determinations

IE (eV)	Method	Reference	Comment
10.22 ± 0.07	EI	Bowen and Maccoll, 1984	LBLHLM
10.0	EI	McLafferty, Bente, et al., 1973	LLK
10.15 ± 0.025	PE	Johnstone and Mellon, 1972	LLK
10.16 ± 0.03	EI	Johnstone and Mellon, 1972	LLK
10.32 ± 0.02	PE	Cocksey, Eland, et al., 1971	LLK
10.25	PE	Dewar and Worley, 1969	RDSH
10.22 ± 0.04	PI	Refaey and Chupka, 1968	RDSH
10.20	PI	Watanabe, Nakayama, et al., 1962	RDSH
10.51	PE	Benoit and Harrison, 1977	Vertical value; LLK
10.52 ± 0.03	PE	Peel and Willett, 1975	Vertical value; LLK
10.51	PE	Robin and Kuebler, 1973	Vertical value; LLK
10.49	PE	Katsumata, Iwai, et al., 1973	Vertical value; LLK
10.48	PE	Baker, Betteridge, et al., 1971	Vertical value; LLK

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
CH₃O⁺	11.20	C₂H₅	EI	Holmes, Lossing, et al., 1988	LL
CH₃O⁺	12.3 ± 0.9	C₂H₅	EI	Bowen and Maccoll, 1984	LBLHLM
CH₃O⁺	11.50 ± 0.08	C₂H₃	EI	Selim and Helal, 1981	LLK
CH₃O⁺	11.16 ± 0.03	C₂H₅	EI	Johnstone and Mellon, 1972	LLK
CH₃O⁺	~11.3	C₂H₅	PI	Refaey and Chupka, 1968	RDSH
CH₃O⁺	~11.11	C₂H₅	PI	Chupka, 1959	RDSH
C₂H₃⁺	14.7	?	EI	Friedman, Long, et al., 1957	RDSH
C₂H₄⁺	~11.9	?	PI	Refaey and Chupka, 1968	RDSH
C₂H₅⁺	12.3	CH₂OH	PI	Refaey and Chupka, 1968	RDSH
C₂H₅O⁺	11.35 ± 0.04	CH₃	EI	Solka and Russell, 1974	LLK
C₂H₅O⁺	11.1 ± 0.1	CH₃	PI	Refaey and Chupka, 1968	RDSH
C₂H₅O⁺	11.1	CH₃	EI	Friedman, Long, et al., 1957	RDSH
C₃H₃⁺	15.6	?	EI	Friedman, Long, et al., 1957	RDSH
C₃H₅⁺	12.6	?	PI	Refaey and Chupka, 1968	RDSH
C₃H₆⁺	10.56 ± 0.05	H₂O	EI	Holmes, Mommers, et al., 1984	LBLHLM
C₃H₆⁺	10.65 ± 0.09	H₂O	EI	Bowen and Maccoll, 1984	LBLHLM
C₃H₆⁺	10.3	H₂O	EI	McLafferty, Bente, et al., 1973	LLK
C₃H₆⁺	10.33 ± 0.03	H₂O	EI	Johnstone and Mellon, 1972	LLK
C₃H₆⁺	10.65 ± 0.03	H₂O	PI	Refaey and Chupka, 1968	RDSH
C₃H₆⁺	10.50	H₂O	PI	Chupka, 1959	RDSH
C₃H₇⁺	11.6 ± 0.1	OH	PI	Refaey and Chupka, 1968	RDSH
C₃H₇O⁺	10.72 ± 0.09	H	EI	Bowen and Maccoll, 1984	LBLHLM
C₃H₇O⁺	10.2	H	EI	McLafferty, Bente, et al., 1973	LLK
C₃H₇O⁺	10.48 ± 0.03	H	EI	Johnstone and Mellon, 1972	LLK
C₃H₇O⁺	10.72	H	PI	Refaey and Chupka, 1968	RDSH
C₃H₇O⁺	10.69	H	EI	Lambdin, Tuffly, et al., 1959	RDSH

De-protonation reactions

C₃H₇O^- + = 1-Propanol

By formula: C₃H₇O^- + H⁺ = C₃H₈O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1572. ± 5.4	kJ/mol	D-EA	Ellison, Engleking, et al., 1982	gas phase; B
Δ_rH°	1573. ± 8.8	kJ/mol	G+TS	Bartmess, Scott, et al., 1979	gas phase; value altered from reference due to change in acidity scale; B
Δ_rH°	1574. ± 8.4	kJ/mol	CIDC	Haas and Harrison, 1993	gas phase; Both metastable and 50 eV collision energy.; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1545. ± 5.9	kJ/mol	H-TS	Ellison, Engleking, et al., 1982	gas phase; B
Δ_rG°	1546. ± 8.4	kJ/mol	IMRE	Bartmess, Scott, et al., 1979	gas phase; value altered from reference due to change in acidity scale; B
Δ_rG°	1546. ± 8.8	kJ/mol	H-TS	Haas and Harrison, 1993	gas phase; Both metastable and 50 eV collision energy.; B

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, References, Notes

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⁺ • )

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	92.0	kJ/mol	PHPMS	Meot-Ner, 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	107.	J/mol*K	PHPMS	Meot-Ner, 1984	gas phase; M

C₂H₇O⁺ + 1-Propanol = (C₂H₇O⁺ • )

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	127.	kJ/mol	ICR	Larson and McMahon, 1982	gas 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
Δ_rS°	119.	J/mol*K	N/A	Larson and McMahon, 1982	gas 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
Δ_rG°	91.2	kJ/mol	ICR	Larson and McMahon, 1982	gas 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⁺ • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	90.8	kJ/mol	ICR	Caldwell, Rozeboom, et al., 1984	gas 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
Δ_rS°	123.	J/mol*K	N/A	Caldwell, Rozeboom, et al., 1984	gas 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
Δ_rG°	54.4	kJ/mol	ICR	Caldwell, Rozeboom, et al., 1984	gas 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^- • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	90. ± 12.	kJ/mol	N/A	Caldwell, Rozeboom, et al., 1984	gas 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
Δ_rG°	54.0 ± 8.4	kJ/mol	IMRE	Caldwell, Rozeboom, et al., 1984	gas 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^- • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	119. ± 12.	kJ/mol	N/A	Caldwell, Rozeboom, et al., 1984	gas 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
Δ_rS°	123.	J/mol*K	N/A	Caldwell, Rozeboom, et al., 1984	gas 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
Δ_rG°	81.2 ± 8.4	kJ/mol	IMRE	Caldwell, Rozeboom, et al., 1984	gas 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⁺ • )

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	127.	kJ/mol	PHPMS	Meot-Ner (Mautner), 1992	gas phase; switching reaction(CH3CNH+)CH3CN; Lias, Liebman, et al., 1984, Deakyne, Meot-Ner (Mautner), et al., 1986; M
Δ_rH°	132.	kJ/mol	ICR	Larson and McMahon, 1982	gas 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
Δ_rS°	112.	J/mol*K	PHPMS	Meot-Ner (Mautner), 1992	gas phase; switching reaction(CH3CNH+)CH3CN; Lias, Liebman, et al., 1984, Deakyne, Meot-Ner (Mautner), et al., 1986; M
Δ_rS°	126.	J/mol*K	N/A	Larson and McMahon, 1982	gas 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
Δ_rG°	94.6	kJ/mol	ICR	Larson and McMahon, 1982	gas 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 ) + = (C₃H₉O⁺ • 2)

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	90.4	kJ/mol	PHPMS	Meot-Ner (Mautner), 1992	gas phase; M
Δ_rH°	79.1	kJ/mol	PHPMS	Hiraoka, Morise, et al., 1986	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	131.	J/mol*K	PHPMS	Meot-Ner (Mautner), 1992	gas phase; M
Δ_rS°	96.2	J/mol*K	PHPMS	Hiraoka, Morise, et al., 1986	gas phase; M

(C₃H₉O⁺ • 2 1-Propanol ) + = (C₃H₉O⁺ • 3)

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	60.2	kJ/mol	PHPMS	Meot-Ner (Mautner), 1992	gas phase; M
Δ_rH°	59.4	kJ/mol	PHPMS	Hiraoka, Morise, et al., 1986	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	107.	J/mol*K	PHPMS	Meot-Ner (Mautner), 1992	gas phase; M
Δ_rS°	99.6	J/mol*K	PHPMS	Hiraoka, Morise, et al., 1986	gas phase; M

(C₃H₉O⁺ • 3 1-Propanol ) + = (C₃H₉O⁺ • 4)

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	49.8	kJ/mol	PHPMS	Meot-Ner (Mautner), 1992	gas phase; M
Δ_rH°	49.0	kJ/mol	PHPMS	Hiraoka, Morise, et al., 1986	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	104.	J/mol*K	PHPMS	Meot-Ner (Mautner), 1992	gas phase; M
Δ_rS°	96.2	J/mol*K	PHPMS	Hiraoka, Morise, et al., 1986	gas phase; M

(C₃H₉O⁺ • 4 1-Propanol ) + = (C₃H₉O⁺ • 5)

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	45.6	kJ/mol	PHPMS	Meot-Ner (Mautner), 1992	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	106.	J/mol*K	PHPMS	Meot-Ner (Mautner), 1992	gas phase; M

(C₃H₉O⁺ • 5 1-Propanol ) + = (C₃H₉O⁺ • 6)

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	46.4	kJ/mol	PHPMS	Meot-Ner (Mautner), 1992	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	120.	J/mol*K	PHPMS	Meot-Ner (Mautner), 1992	gas phase; M

(C₃H₉O⁺ • 6 1-Propanol ) + = (C₃H₉O⁺ • 7)

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	45.6	kJ/mol	PHPMS	Meot-Ner (Mautner), 1992	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	128.	J/mol*K	PHPMS	Meot-Ner (Mautner), 1992	gas phase; M

(C₃H₉O⁺ • 7 1-Propanol ) + = (C₃H₉O⁺ • 8)

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	46.	kJ/mol	PHPMS	Meot-Ner (Mautner), 1992	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	130.	J/mol*K	N/A	Meot-Ner (Mautner), 1992	gas phase; Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
17.	215.	PHPMS	Meot-Ner (Mautner), 1992	gas phase; Entropy change calculated or estimated; M

C₃H₉Si⁺ + 1-Propanol = (C₃H₉Si⁺ • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	181.	kJ/mol	PHPMS	Wojtyniak and Stone, 1986	gas phase; switching reaction,Thermochemical ladder((CH3)3Si+))H2O, Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	129.	J/mol*K	N/A	Wojtyniak and Stone, 1986	gas phase; switching reaction,Thermochemical ladder((CH3)3Si+))H2O, Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
121.	468.	PHPMS	Wojtyniak and Stone, 1986	gas phase; switching reaction,Thermochemical ladder((CH3)3Si+))H2O, Entropy change calculated or estimated; M

C₃H₉Sn⁺ + 1-Propanol = (C₃H₉Sn⁺ • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	149.	kJ/mol	PHPMS	Stone and Splinter, 1984	gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	130.	J/mol*K	N/A	Stone and Splinter, 1984	gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

Free energy of reaction

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

C₄H₉O^- + 1-Propanol = (C₄H₉O^- • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	114. ± 12.	kJ/mol	N/A	Caldwell, Rozeboom, et al., 1984	gas 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
Δ_rS°	123.	J/mol*K	N/A	Caldwell, Rozeboom, et al., 1984	gas 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
Δ_rG°	77.8 ± 8.4	kJ/mol	IMRE	Caldwell, Rozeboom, et al., 1984	gas 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⁺ • )

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	133.	kJ/mol	ICR	Larson and McMahon, 1982	gas 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
Δ_rS°	122.	J/mol*K	N/A	Larson and McMahon, 1982	gas 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
Δ_rG°	96.2	kJ/mol	ICR	Larson and McMahon, 1982	gas 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^- • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	113. ± 12.	kJ/mol	N/A	Caldwell, Rozeboom, et al., 1984	gas 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
Δ_rG°	76.1 ± 8.4	kJ/mol	IMRE	Caldwell, Rozeboom, et al., 1984	gas 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

+ 1-Propanol = ( • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	62.8	kJ/mol	PHPMS	Sieck and Meot-ner, 1989	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	109.	J/mol*K	PHPMS	Sieck and Meot-ner, 1989	gas phase; M

C₈H₅^- + 1-Propanol = (C₈H₅^- • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	94. ± 12.	kJ/mol	N/A	Caldwell, Rozeboom, et al., 1984	gas 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
Δ_rS°	123.	J/mol*K	N/A	Caldwell, Rozeboom, et al., 1984	gas 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
Δ_rG°	57.7 ± 8.4	kJ/mol	IMRE	Caldwell, Rozeboom, et al., 1984	gas 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

+ 1-Propanol = ( • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	85.4 ± 2.1	kJ/mol	TDAs	Hiraoka, 1987	gas phase; B,B,M
Δ_rH°	74.1 ± 8.4	kJ/mol	IMRE	Larson and McMahon, 1984	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	121.	J/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Δ_rS°	97.1	J/mol*K	N/A	Larson and McMahon, 1984	gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	48.95	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B
Δ_rG°	49.0 ± 8.4	kJ/mol	TDAs	Hiraoka, 1987	gas phase; B
Δ_rG°	45.2 ± 8.4	kJ/mol	IMRE	Larson and McMahon, 1984	gas phase; B,M

( • 1-Propanol ) + = ( • 2)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	66.1 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	106.	J/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	34. ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

( • 2 1-Propanol ) + = ( • 3)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	59.4 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	131.	J/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	20. ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

( • 3 1-Propanol ) + = ( • 4)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	55.6 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	134.	J/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	15. ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

( • 4 1-Propanol ) + = ( • 5)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	52.7 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	138.	J/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	11. ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

( • 5 1-Propanol ) + = ( • 6)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	48.5 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	130.	J/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	9.6 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

( • 6 1-Propanol ) + = ( • 7)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	46.0 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	126.	J/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	7.9 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

( • 7 1-Propanol ) + = ( • 8)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	45.2 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; Estimated entropy; single temperature measurement; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	130.	J/mol*K	N/A	Hiraoka and Mizuse, 1987	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	7.5 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; Estimated entropy; single temperature measurement; B

+ 1-Propanol = C₃H₇D₈FO^-

By formula: F^- + C₃H₈O = C₃H₇D₈FO^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	102. ± 8.4	kJ/mol	IMRE	Wilkinson, Szulejko, et al., 1992	gas phase; Reported relative to ROH..F-, 0.5 kcal/mol weaker.; B

+ 1-Propanol = ( • )

By formula: F^- + C₃H₈O = (F^- • C₃H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	135. ± 8.4	kJ/mol	IMRE	Larson and McMahon, 1983	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	106.	J/mol*K	N/A	Larson and McMahon, 1983	gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	103. ± 8.4	kJ/mol	IMRE	Larson and McMahon, 1983	gas phase; B,M

+ 1-Propanol = ( • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	171. ± 7.9	kJ/mol	CIDT	Rodgers and Armentrout, 2000	RCD

+ 1-Propanol = ( • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	270. ± 20.	kJ/mol	ICR	Operti, Tews, et al., 1988	gas phase; switching reaction,Thermochemical ladder(Mg+)CH3OH; M

+ 1-Propanol = ( • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	108. ± 4.2	kJ/mol	CIDT	Armentrout and Rodgers, 2000	RCD
Δ_rH°	108. ± 4.2	kJ/mol	CIDT	Rodgers and Armentrout, 1999	RCD

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
0.0	0.	CIDT	Rodgers and Armentrout, 1999	RCD

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, References, Notes

Data compiled by: Coblentz Society, Inc.

GAS (SATURATED); DOW KBr FOREPRISM-GRATING; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS)
2, 4 cm^-1 resolution
SOLUTION (10% IN CCl4 FOR 3800-1330, 10% IN CS2 FOR 1330-400 CM^-1); BECKMAN IR-9 (GRATING); DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm^-1 resolution

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

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Notes

Symbols used in this document:

AE	Appearance energy
C_p,gas	Constant pressure heat capacity of gas
C_p,liquid	Constant pressure heat capacity of liquid
C_p,solid	Constant pressure heat capacity of solid
IE (evaluated)	Recommended ionization energy
P_c	Critical pressure
S°_gas	Entropy of gas at standard conditions
S°_liquid	Entropy of liquid at standard conditions
S°_{solid,1 bar}	Entropy of solid at standard conditions (1 bar)
T	Temperature
T_boil	Boiling point
T_c	Critical temperature
T_fus	Fusion (melting) point
T_triple	Triple point temperature
V_c	Critical volume
Δ_cH°_liquid	Enthalpy of combustion of liquid at standard conditions
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions
Δ_fH°_liquid	Enthalpy of formation of liquid at standard conditions
Δ_fusH	Enthalpy of fusion
Δ_fusS	Entropy of fusion
Δ_rG°	Free energy of reaction at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions
Δ_rS°	Entropy of reaction at standard conditions
Δ_vapH	Enthalpy of vaporization
Δ_vapH°	Enthalpy of vaporization at standard conditions
ρ_c	Critical density

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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