1-Propanol
- Formula: C3H8O
- Molecular weight: 60.0950
- 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, IR Spectrum, Mass spectrum (electron ionization), 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 | -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
Cp,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
Cp,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/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 |
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, IR Spectrum, Mass spectrum (electron ionization), 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 ± 0.25 | kJ/mol | Ccb | Mosselman and Dekker, 1975 | ALS |
ΔfH°liquid | -303.0 ± 1.3 | kJ/mol | Eqk | Connett, 1972 | ALS |
ΔfH°liquid | -304.6 ± 0.4 | kJ/mol | Ccb | Chao and Rossini, 1965 | see Rossini, 1934; ALS |
ΔfH°liquid | -302.5 ± 4.2 | kJ/mol | Ccb | Snelson and Skinner, 1961 | ALS |
ΔfH°liquid | -306.3 ± 1.0 | kJ/mol | Ccb | Green, 1960 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -2021.31 ± 0.25 | kJ/mol | Ccb | Mosselman and Dekker, 1975 | Corresponding ΔfHºliquid = -302.54 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -2019.4 ± 0.3 | kJ/mol | Ccb | Chao and Rossini, 1965 | see Rossini, 1934; Corresponding ΔfHºliquid = -304.5 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -2021.4 ± 0.75 | kJ/mol | Ccb | Snelson and Skinner, 1961 | Corresponding ΔfHºliquid = -302.5 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -2017.7 ± 1.0 | kJ/mol | Ccb | Green, 1960 | Corresponding ΔfHºliquid = -306.2 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -2032.59 | kJ/mol | Ccb | Richards and Davis, 1920 | At 291 K; Corresponding ΔfHºliquid = -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
Cp,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
Cp,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, IR Spectrum, Mass spectrum (electron ionization), 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 |
---|---|---|---|---|---|
Tboil | 370.3 ± 0.5 | K | AVG | N/A | Average of 127 out of 139 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 146.7 | K | N/A | Tschamler, Richter, et al., 1949 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tfus | 147. | K | N/A | Timmermans, 1935 | Uncertainty assigned by TRC = 3. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 148.75 | K | N/A | Wilhoit, Chao, et al., 1985 | Uncertainty assigned by TRC = 0.02 K; TRC |
Ttriple | 148.75 | K | N/A | Counsell, Lees, et al., 1968, 2 | Uncertainty assigned by TRC = 0.02 K; TRC |
Ttriple | 147.0 | K | N/A | Parks and Huffman, 1926, 2 | Uncertainty assigned by TRC = 0.3 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 536.9 ± 0.8 | K | AVG | N/A | Average of 20 out of 25 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 52. ± 1. | bar | AVG | N/A | Average of 12 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.218 | l/mol | N/A | Gude and Teja, 1995 | |
Vc | 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 |
ρc | 4.58 ± 0.06 | mol/l | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 47. ± 1. | kJ/mol | AVG | N/A | Average of 15 values; Individual data points |
Enthalpy of vaporization
ΔvapH (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
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 |
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
ΔfusH (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
ΔfusS (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 |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), 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
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/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 |
ΔrH° | 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 |
ΔrS° | 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 |
ΔrS° | 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 |
ΔrG° | 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 |
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/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 |
ΔrS° | 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 |
ΔrG° | 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 |
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/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 |
ΔrS° | 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 |
ΔrG° | 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- + =
By formula: C3H7O- + H+ = C3H8O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1572. ± 5.4 | kJ/mol | D-EA | Ellison, Engleking, et al., 1982 | gas phase; B |
ΔrH° | 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 |
ΔrH° | 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 |
ΔrG° | 1545. ± 5.9 | kJ/mol | H-TS | Ellison, Engleking, et al., 1982 | gas phase; B |
ΔrG° | 1546. ± 8.4 | kJ/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrG° | 1546. ± 8.8 | kJ/mol | H-TS | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy.; B |
By formula: C4H9O- + C3H8O = (C4H9O- • C3H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 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 |
ΔrS° | 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 |
ΔrG° | 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 |
By formula: C8H5- + C3H8O = (C8H5- • C3H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 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 |
ΔrS° | 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 |
ΔrG° | 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 |
By formula: C3H7O- + C3H8O = (C3H7O- • C3H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 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 |
ΔrS° | 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 |
ΔrG° | 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 |
By formula: Cl- + C3H8O = (Cl- • C3H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 85.4 ± 2.1 | kJ/mol | TDAs | Hiraoka, 1987 | gas phase; B,B,M |
ΔrH° | 74.1 ± 8.4 | kJ/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 121. | J/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
ΔrS° | 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 |
ΔrG° | 48.95 | kJ/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
ΔrG° | 49.0 ± 8.4 | kJ/mol | TDAs | Hiraoka, 1987 | gas phase; B |
ΔrG° | 45.2 ± 8.4 | kJ/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,M |
By formula: C3H5O+ + C3H8O = (C3H5O+ • C3H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 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 |
ΔrS° | 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 |
ΔrG° | 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 |
By formula: C3H9Si+ + C3H8O = (C3H9Si+ • C3H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 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 |
ΔrS° | 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
ΔrG° (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 |
By formula: C3H9Sn+ + C3H8O = (C3H9Sn+ • C3H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 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 |
ΔrS° | 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
ΔrG° (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 |
By formula: C5H11O- + C3H8O = (C5H11O- • C3H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 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 |
ΔrG° | 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 |
By formula: C3H5O- + C3H8O = (C3H5O- • C3H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 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 |
ΔrG° | 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 |
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/mol | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 130. | J/mol*K | N/A | Meot-Ner (Mautner), 1992 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
17. | 215. | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; Entropy change calculated or estimated; M |
By formula: (Cl- • 7C3H8O) + C3H8O = (Cl- • 8C3H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 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 |
ΔrS° | 130. | J/mol*K | N/A | Hiraoka and Mizuse, 1987 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.5 ± 4.2 | kJ/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; Estimated entropy; single temperature measurement; B |
By formula: F- + C3H8O = (F- • C3H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 135. ± 8.4 | kJ/mol | IMRE | Larson and McMahon, 1983 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 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 |
ΔrG° | 103. ± 8.4 | kJ/mol | IMRE | Larson and McMahon, 1983 | gas phase; B,M |
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° | 60.2 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
ΔrH° | 59.4 | kJ/mol | PHPMS | Hiraoka, Morise, et al., 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 107. | J/mol*K | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
ΔrS° | 99.6 | J/mol*K | PHPMS | Hiraoka, Morise, et al., 1986 | gas phase; M |
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° | 49.8 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
ΔrH° | 49.0 | kJ/mol | PHPMS | Hiraoka, Morise, et al., 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 104. | J/mol*K | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
ΔrS° | 96.2 | J/mol*K | PHPMS | Hiraoka, Morise, et al., 1986 | gas phase; M |
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° | 90.4 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
ΔrH° | 79.1 | kJ/mol | PHPMS | Hiraoka, Morise, et al., 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 131. | J/mol*K | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
ΔrS° | 96.2 | J/mol*K | PHPMS | Hiraoka, Morise, et al., 1986 | gas phase; M |
By formula: C3H6O + H2 = C3H8O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -84.3 ± 0.4 | kJ/mol | Cm | Wiberg, Crocker, et al., 1991 | liquid phase; solvent: Triglyme; Heat of hydrogenation; ALS |
ΔrH° | -69.55 ± 0.76 | kJ/mol | Eqk | Connett, 1972 | gas phase; At 473-524 K; ALS |
ΔrH° | -65.77 ± 0.67 | kJ/mol | Chyd | Buckley and Cox, 1967 | gas phase; ALS |
By formula: (Cl- • 2C3H8O) + C3H8O = (Cl- • 3C3H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 59.4 ± 4.2 | kJ/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 131. | J/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 20. ± 4.2 | kJ/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
By formula: (Cl- • 3C3H8O) + C3H8O = (Cl- • 4C3H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 55.6 ± 4.2 | kJ/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 134. | J/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 15. ± 4.2 | kJ/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
By formula: (Cl- • 4C3H8O) + C3H8O = (Cl- • 5C3H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 52.7 ± 4.2 | kJ/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 138. | J/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 11. ± 4.2 | kJ/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
By formula: (Cl- • 5C3H8O) + C3H8O = (Cl- • 6C3H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 48.5 ± 4.2 | kJ/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 130. | J/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.6 ± 4.2 | kJ/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
By formula: (Cl- • 6C3H8O) + C3H8O = (Cl- • 7C3H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 46.0 ± 4.2 | kJ/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 126. | J/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.9 ± 4.2 | kJ/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
By formula: (Cl- • C3H8O) + C3H8O = (Cl- • 2C3H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 66.1 ± 4.2 | kJ/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 106. | J/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 34. ± 4.2 | kJ/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
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° | 45.6 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 106. | J/mol*K | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
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° | 46.4 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 120. | J/mol*K | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
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° | 45.6 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 128. | J/mol*K | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
By formula: CH6N+ + C3H8O = (CH6N+ • C3H8O)
Bond type: Hydrogen bonds of the type NH+-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 92.0 | kJ/mol | PHPMS | Meot-Ner, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 107. | J/mol*K | PHPMS | Meot-Ner, 1984 | gas phase; M |
By formula: Na+ + C3H8O = (Na+ • C3H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 108. ± 4.2 | kJ/mol | CIDT | Armentrout and Rodgers, 2000 | RCD |
ΔrH° | 108. ± 4.2 | kJ/mol | CIDT | Rodgers and Armentrout, 1999 | RCD |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
0.0 | 0. | CIDT | Rodgers and Armentrout, 1999 | RCD |
By formula: C3H6O + H2 = C3H8O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -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 |
By formula: C6H5S- + C3H8O = (C6H5S- • C3H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 62.8 | kJ/mol | PHPMS | Sieck and Meot-ner, 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 109. | J/mol*K | PHPMS | Sieck and Meot-ner, 1989 | gas phase; M |
+ = C3H7D8FO-
By formula: F- + C3H8O = C3H7D8FO-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 102. ± 8.4 | kJ/mol | IMRE | Wilkinson, Szulejko, et al., 1992 | gas phase; Reported relative to ROH..F-, 0.5 kcal/mol weaker.; B |
By formula: Mg+ + C3H8O = (Mg+ • C3H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 270. ± 20. | kJ/mol | ICR | Operti, Tews, et al., 1988 | gas phase; switching reaction,Thermochemical ladder(Mg+)CH3OH; M |
By formula: C10H12O5 + H2O = C7H6O5 + C3H8O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -15.4 ± 6.6 | kJ/mol | Eqk | Tewari, Schantz, et al., 1996 | liquid phase; solvent: Toluene; ALS |
+ = C5H8Cl2F2O
By formula: C3H8O + C2Cl2F2 = C5H8Cl2F2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -164. ± 2. | kJ/mol | Cm | Kennedy, Lacher, et al., 1969 | gas phase; ALS |
By formula: C3H8O + HNO3 = C3H7NO3 + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -21.8 | kJ/mol | Eqk | Rubtsov, 1986 | liquid phase; ALS |
By formula: C2H2O + C3H8O = C5H10O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -147.8 | kJ/mol | Cm | Rice and Greenberg, 1934 | gas phase; ALS |
By formula: Li+ + C3H8O = (Li+ • C3H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 171. ± 7.9 | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: C4H2O3 + C3H8O = propyl hydrogen maleate
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -35. | kJ/mol | Kin | Tribunescu, Poraicu, et al., 1978 | liquid phase; ALS |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), 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
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | NIST Mass Spectrometry Data Center, 1990. |
NIST MS number | 113122 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), 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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Thermodynamic properties of the normal alcohols C1-C12,
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Thermo data for petrochemicals. Part 28. Gaseous normal alcohols. The important thermo properties are presented for all the gaseous normal alcohols from methanol through n-decanol,
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The thermodynamic properties of the n-propyl alcohol,
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Ideal gas thermodynamic properties of simple alkanols,
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Zhuravlev E.Z., 1959
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Isotopic effect on thermodynamic functions of some organic deuterocompounds in the ideal gas state,
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Heat capacity of alcohol vapors at atmospheric pressure,
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Mosselman and Dekker, 1975
Mosselman, C.; Dekker, H.,
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Connett, 1972
Connett, J.E.,
Chemical equilibria. 5. Measurement of equilibrium constants for the dehydrogenation of propanol by a vapour flow technique,
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Chao and Rossini, 1965
Chao, J.; Rossini, F.D.,
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Rossini, 1934
Rossini, F.D.,
Heats of combustion and of formation of the normal aliphatic alcohols in the gaseous and liquid states, and the energies of their atomic linkages,
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Snelson and Skinner, 1961
Snelson, A.; Skinner, H.A.,
Heats of combustion: sec-propanol, 1,4-dioxan, 1,3-dioxan and tetrahydropyran,
Trans. Faraday Soc., 1961, 57, 2125-2131. [all data]
Green, 1960
Green, J.H.S.,
Revision of the values of the heats of formation of normal alcohols,
Chem. Ind. (London), 1960, 1215-1216. [all data]
Richards and Davis, 1920
Richards, T.W.; Davis, H.S.,
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Notes
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- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Cp,liquid Constant pressure heat capacity of liquid Cp,solid Constant pressure heat capacity of solid Pc 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 Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature Vc Critical volume ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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