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, Gas phase ion energetics data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -61.2 ± 0.7 | kcal/mol | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
S°gas | 77.077 | cal/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 (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
9.699 | 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 |
12.32 | 100. | ||
14.08 | 150. | ||
15.86 | 200. | ||
19.17 | 273.15 | ||
20.45 ± 0.033 | 298.15 | ||
20.54 | 300. | ||
25.820 | 400. | ||
30.638 | 500. | ||
34.754 | 600. | ||
38.253 | 700. | ||
41.257 | 800. | ||
43.860 | 900. | ||
46.121 | 1000. | ||
48.093 | 1100. | ||
49.809 | 1200. | ||
51.307 | 1300. | ||
52.615 | 1400. | ||
53.760 | 1500. | ||
56.05 | 1750. | ||
57.70 | 2000. | ||
58.94 | 2250. | ||
59.87 | 2500. | ||
60.7 | 2750. | ||
61.2 | 3000. |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
24.441 ± 0.048 | 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 |
25.64 ± 0.23 | 375.45 | ||
25.97 ± 0.23 | 383.05 | ||
26.15 ± 0.23 | 387.15 | ||
25.440 ± 0.050 | 391.2 | ||
26.58 ± 0.23 | 396.95 | ||
27.15 ± 0.23 | 409.95 | ||
26.391 ± 0.053 | 411.2 | ||
27.62 ± 0.23 | 420.75 | ||
27.72 ± 0.23 | 422.95 | ||
27.330 ± 0.055 | 431.2 | ||
28.37 ± 0.23 | 437.95 | ||
28.351 ± 0.057 | 451.2 | ||
29.38 ± 0.23 | 461.05 | ||
30.01 ± 0.23 | 475.35 | ||
31.30 ± 0.23 | 504.95 | ||
31.60 ± 0.23 | 511.85 | ||
32.50 ± 0.23 | 532.35 | ||
33.71 ± 0.23 | 560.05 | ||
34.53 ± 0.23 | 578.85 | ||
35.60 ± 0.23 | 603.25 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -72.309 ± 0.060 | kcal/mol | Ccb | Mosselman and Dekker, 1975 | ALS |
ΔfH°liquid | -72.42 ± 0.31 | kcal/mol | Eqk | Connett, 1972 | ALS |
ΔfH°liquid | -72.79 ± 0.09 | kcal/mol | Ccb | Chao and Rossini, 1965 | see Rossini, 1934; ALS |
ΔfH°liquid | -72.3 ± 1.0 | kcal/mol | Ccb | Snelson and Skinner, 1961 | ALS |
ΔfH°liquid | -73.20 ± 0.24 | kcal/mol | Ccb | Green, 1960 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -483.105 ± 0.060 | kcal/mol | Ccb | Mosselman and Dekker, 1975 | Corresponding ΔfHºliquid = -72.309 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -482.64 ± 0.07 | kcal/mol | Ccb | Chao and Rossini, 1965 | see Rossini, 1934; Corresponding ΔfHºliquid = -72.77 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -483.12 ± 0.18 | kcal/mol | Ccb | Snelson and Skinner, 1961 | Corresponding ΔfHºliquid = -72.29 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -482.23 ± 0.24 | kcal/mol | Ccb | Green, 1960 | Corresponding ΔfHºliquid = -73.18 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -485.801 | kcal/mol | Ccb | Richards and Davis, 1920 | At 291 K; Corresponding ΔfHºliquid = -69.613 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 46.08 | cal/mol*K | N/A | Counsell, Lees, et al., 1968 | DH |
S°liquid | 51.20 | cal/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 | 26.94 | cal/mol*K | N/A | Counsell, Lees, et al., 1968 | glass phase; DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
34.56 | 298. | Korolev, Kukharenko, et al., 1986 | DH |
34.407 | 298.15 | Tanaka, Toyama, et al., 1986 | DH |
34.522 | 298.15 | Zegers and Somsen, 1984 | DH |
33.078 | 288.15 | Benson and D'Arcy, 1982 | DH |
35.105 | 298.15 | Villamanan, Casanova, et al., 1982 | DH |
33.89 | 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 |
34.976 | 298.216 | Kalinowska, Jedlinska, et al., 1980 | T = 185 to 300 K. Unsmoothed experimental datum.; DH |
35.35 | 303.4 | Griigo'ev, Yanin, et al., 1979 | T = 303 to 463 K. p = 0.98 bar.; DH |
34.362 | 298.15 | Vesely, Zabransky, et al., 1979 | DH |
35.61 | 298.15 | Murthy and Subrahmanyam, 1977 | DH |
34.364 | 298.15 | Vesely, Svoboda, et al., 1977 | DH |
34.386 | 298.15 | Fortier, Benson, et al., 1976 | DH |
34.4316 | 298.15 | Fortier and Benson, 1976 | DH |
37.91 | 313.2 | Paz Andrade, Paz, et al., 1970 | DH |
34.37 | 298.15 | Counsell, Lees, et al., 1968 | T = 11 to 350 K.; DH |
34.92 | 298. | Recko, 1968 | T = 24 to 40°C, equation only.; DH |
37.19 | 320. | Swietoslawski and Zielenkiewicz, 1960 | Mean value 21 to 74°C.; DH |
33.511 | 303. | Eucken and Eigen, 1951 | T = 303 to 393 K.; DH |
34.80 | 298.1 | Zhdanov, 1941 | T = 5 to 46°C.; DH |
39.39 | 301.2 | Phillip, 1939 | DH |
32.50 | 270. | Mitsukuri and Hara, 1929 | T = 170 to 270 K.; DH |
46.10 | 298.1 | Parks, Kelley, et al., 1929 | Extrapolation below 90 K, 43.5 J/mol*K. Revision of previous data.; DH |
31.91 | 275.4 | Parks and Huffman, 1927 | T = 86 to 275 K. Value is unsmoothed experimental datum.; DH |
31.91 | 275.0 | Parks and Huffman, 1926 | T = 86 to 275 K. Value is unsmoothed experimental datum.; DH |
31.38 | 274.6 | Gibson, Parks, et al., 1920 | T = 77 to 274.6 K. Unsmoothed experimental datum.; DH |
34.61 | 298. | von Reis, 1881 | T = 289 to 363 K.; DH |
Constant pressure heat capacity of solid
Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
25.41 | 150. | Counsell, Lees, et al., 1968 | glass phase; T = 10 to 150 K.; DH |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data 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) | 188.0 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 180.7 | kcal/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
De-protonation reactions
C3H7O- + =
By formula: C3H7O- + H+ = C3H8O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 375.7 ± 1.3 | kcal/mol | D-EA | Ellison, Engleking, et al., 1982 | gas phase; B |
ΔrH° | 376.0 ± 2.1 | kcal/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrH° | 376.2 ± 2.0 | kcal/mol | CIDC | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy.; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 369.2 ± 1.4 | kcal/mol | H-TS | Ellison, Engleking, et al., 1982 | gas phase; B |
ΔrG° | 369.4 ± 2.0 | kcal/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrG° | 369.6 ± 2.1 | kcal/mol | H-TS | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy.; B |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Chao J., 1986
Chao J.,
Thermodynamic properties of key organic oxygen compounds in the carbon range C1 to C4. Part 2. Ideal gas properties,
J. Phys. Chem. Ref. Data, 1986, 15, 1369-1436. [all data]
Buckley E., 1967
Buckley E.,
Chemical equilibria. Part 2. Dehydrogenation of propanol and butanol,
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Counsell J.F., 1968
Counsell J.F.,
Thermodynamic properties of organic oxygen compounds. Part XIX. Low-temperature heat capacity and entropy of propan-1-ol, 2-methylpropan-1-ol, and pentan-1-ol,
J. Chem. Soc. A, 1968, 1819-1823. [all data]
Green J.H.S., 1961
Green J.H.S.,
Thermodynamic properties of the normal alcohols C1-C12,
J. Appl. Chem., 1961, 11, 397-404. [all data]
Chermin H.A.G., 1961
Chermin H.A.G.,
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,
Petrol. Refiner, 1961, 40 (4), 127-130. [all data]
Wilhoit R.C., 1973
Wilhoit R.C.,
Physical and thermodynamic properties of aliphatic alcohols,
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Thermodynamics Research Center, 1997
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Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]
Mathews J.F., 1961
Mathews J.F.,
The thermodynamic properties of the n-propyl alcohol,
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Chao J., 1986, 2
Chao J.,
Ideal gas thermodynamic properties of simple alkanols,
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Kobe K.A., 1951
Kobe K.A.,
Thermochemistry for the petrochemical industry. Part XVII. Some C3 oxygenated hydrocarbons,
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Zhuravlev E.Z., 1959
Zhuravlev E.Z.,
Isotopic effect on thermodynamic functions of some organic deuterocompounds in the ideal gas state,
Tr. Khim. i Khim. Tekhnol., 1959, 2, 475-485. [all data]
Stromsoe E., 1970
Stromsoe E.,
Heat capacity of alcohol vapors at atmospheric pressure,
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Mosselman and Dekker, 1975
Mosselman, C.; Dekker, H.,
Enthalpies of formation of n-alkan-1-ols,
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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.,
Heats of combustion, formation, and isomerization of nineteen alkanols,
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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,
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Green, 1960
Green, J.H.S.,
Revision of the values of the heats of formation of normal alcohols,
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Richards and Davis, 1920
Richards, T.W.; Davis, H.S.,
The heats of combustion of benzene, toluene, aliphatic alcohols, cyclohexanol, and other carbon compounds,
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Counsell, Lees, et al., 1968
Counsell, J.F.; Lees, E.B.; Martin, J.F.,
Thermodynamic properties of organic oxygen compounds. Part XIX. Low temperature heat capacity and entropy of propan-1-ol, 2-methyl-propan-1-ol,
and pentan-1-ol, 1968, J. [all data]
Parks and Huffman, 1926
Parks, G.S.; Huffman, H.M.,
Thermal data on organic compounds. IV. The heat capacities, entropies and free energies of normal propyl alcohol, ethyl ether and dulcitol,
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Korolev, Kukharenko, et al., 1986
Korolev, V.P.; Kukharenko, V.A.; Krestov, G.A.,
Specific heat of binary mixtures of aliphatic alcohols with N,N-dimethylformamide and dimethylsulphoxide,
Zhur. Fiz. Khim., 1986, 60, 1854-1857. [all data]
Tanaka, Toyama, et al., 1986
Tanaka, R.; Toyama, S.; Murakami, S.,
Heat capacities of {xCnH2n+1OH+(1-x)C7H16} for n = 1 to 6 at 298.15 K,
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Zegers and Somsen, 1984
Zegers, H.C.; Somsen, G.,
Partial molar volumes and heat capacities in (dimethylformamide + an n-alkanol),
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Benson and D'Arcy, 1982
Benson, G.C.; D'Arcy, P.J.,
Excess isobaric heat capacities of water - n-alcohol mixtures,
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Villamanan, Casanova, et al., 1982
Villamanan, M.A.; Casanova, C.; Roux-Desgranges, G.; Grolier, J.-P.E.,
Thermochemical behavior of mixtures of n-alcohol + aliphatic ether: heat capacities and volumes at 298.15 K,
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Arutyunyan, Bagdasaryan, et al., 1981
Arutyunyan, G.S.; Bagdasaryan, S.S.; Kerimov, A.M.,
Experimental investigation of the isobaric heat capacity of n-propyl, n-butyl and n-amyl alcohols at different temperatures and pressures,
Izv. Akad. Nauk Azerb. SSr, 1981, (6), 94-97. [all data]
Kalinowska, Jedlinska, et al., 1980
Kalinowska, B.; Jedlinska, J.; Woycicki, W.; Stecki, J.,
Heat capacities of liquids at temperatures between 90 and 300 K and at atmospheric pressure. I. Method and apparatus, and the heat capacities of n-heptane, n-hexane, and n-propanol,
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Griigo'ev, Yanin, et al., 1979
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54, 1979, 57-64. [all data]
Vesely, Zabransky, et al., 1979
Vesely, F.; Zabransky, M.; Svoboda, V.; Pick, J.,
The use of mixing calorimeter for measuring heat capacities of liquids,
Coll. Czech. Chem. Commun., 1979, 44, 3529-3532. [all data]
Murthy and Subrahmanyam, 1977
Murthy, N.M.; Subrahmanyam, S.V.,
Behaviour of excess heat capacity of aqueous non-electrolytes,
Indian J. Pure Appl. Phys., 1977, 15, 485-489. [all data]
Vesely, Svoboda, et al., 1977
Vesely, F.; Svoboda, V.; Pick, J.,
Heat capacities of some organic liquids determined with the mixing calorimeter,
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Fortier, Benson, et al., 1976
Fortier, J.-L.; Benson, G.C.; Picker, P.,
Heat capacities of some organic liquids determined with the Picker flow calorimeter,
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Fortier and Benson, 1976
Fortier, J.-L.; Benson, G.C.,
Excess heat capacities of binary liquid mixtures determined with a Picker flow calorimeter,
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Paz Andrade, Paz, et al., 1970
Paz Andrade, M.I.; Paz, J.M.; Recacho, E.,
Contribucion a la microcalorimetria de los calores especificos de solidos y liquidos,
An. Quim., 1970, 66, 961-967. [all data]
Recko, 1968
Recko, W.M.,
Excess heat capacity of the binary systems formed by n-propyl alcohol with benzene, mesitylene and cyclohexane,
Bull. Acad. Pol. Sci. Ser. Sci. Chim., 1968, 16, 549-552. [all data]
Swietoslawski and Zielenkiewicz, 1960
Swietoslawski, W.; Zielenkiewicz, A.,
Mean specific heat in homologous series of binary and ternary positive azeotropes,
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Eucken and Eigen, 1951
Eucken, A.; Eigen, M.,
Untersuchung der Assoziationsstruktur in schwerem Wasser und n-Propanol mit Hilfe thermisch-kalorischer Eigenschaften, insbesondere Messungen der spezifischen Wäarmen,
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Zhdanov, 1941
Zhdanov, A.K.,
Specific heats of some liquids and azeotropic mixtures,
Zhur. Obshch. Khim., 1941, 11, 471-482. [all data]
Phillip, 1939
Phillip, N.M.,
Adiabatic and isothermal compressibilities of liquids,
Proc. Indian Acad. Sci., 1939, A9, 109-120. [all data]
Mitsukuri and Hara, 1929
Mitsukuri, S.; Hara, K.,
Specific heats of acetone, methyl-, ethyl-, and n-propyl-alcohols at low temperatures,
Bull. Chem. Soc. Japan, 1929, 4, 77-81. [all data]
Parks, Kelley, et al., 1929
Parks, G.S.; Kelley, K.K.; Huffman, H.M.,
Thermal data on organic compounds. V. A revision of the entropies and free energies of nineteen organic compounds,
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Parks and Huffman, 1927
Parks, G.S.; Huffman, H.M.,
Studies on glass. I. The transition between the glassy and liquid states in the case of some simple organic compounds,
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Gibson, Parks, et al., 1920
Gibson, G.E.; Parks, G.S.; Latimer, W.M.,
Entropy changes at low temperatures. II. Ethyl and propyl alcohols and their equal molal mixture,
J. Am. Chem. Soc., 1920, 42, 1542-1550. [all data]
von Reis, 1881
von Reis, M.A.,
Die specifische Wärme flüssiger organischer Verbindungen und ihre Beziehung zu deren Moleculargewicht,
Ann. Physik [3], 1881, 13, 447-464. [all data]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
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. [all data]
Bowen and Maccoll, 1984
Bowen, R.D.; Maccoll, A.,
Low energy, low temperature mass spectra,
Org. Mass Spectrom., 1984, 19, 379. [all data]
McLafferty, Bente, et al., 1973
McLafferty, F.W.; Bente, P.F., III; Kornfeld, R.; Tsai, S.-C.; Howe, I.,
Collisional activation spectra of organic ions,
J. Am. Chem. Soc., 1973, 95, 2120. [all data]
Johnstone and Mellon, 1972
Johnstone, R.A.W.; Mellon, F.A.,
Electron-impact ionization and appearance potentials,
J. Chem. Soc. Faraday Trans. 2, 1972, 68, 1209. [all data]
Cocksey, Eland, et al., 1971
Cocksey, B.J.; Eland, J.H.D.; Danby, C.J.,
The effect of alkyl substitution on ionisation potential,
J. Chem. Soc., 1971, (B), 790. [all data]
Dewar and Worley, 1969
Dewar, M.J.S.; Worley, S.D.,
Photoelectron spectra of molecules. I. Ionization potentials of some organic molecules and their interpretation,
J. Chem. Phys., 1969, 50, 654. [all data]
Refaey and Chupka, 1968
Refaey, K.M.A.; Chupka, W.A.,
Photoionization of the lower aliphatic alcohols with mass analysis,
J. Chem. Phys., 1968, 48, 5205. [all data]
Watanabe, Nakayama, et al., 1962
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Ionization potentials of some molecules,
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Benoit and Harrison, 1977
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Predictive value of proton affinity. Ionization energy correlations involving oxygenated molecules,
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Peel and Willett, 1975
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Photoelectron spectroscopic studies of the higher alcohols,
Aust. J. Chem., 1975, 28, 2357. [all data]
Robin and Kuebler, 1973
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Excited electronic states of the simple alcohols,
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Katsumata, Iwai, et al., 1973
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Photoelectron spectra and sum rule consideration. Higher alkyl amines and alcohols,
Bull. Chem. Soc. Jpn., 1973, 46, 3391. [all data]
Baker, Betteridge, et al., 1971
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Application of photoelectron spectrometry to pesticide analysis. II.Photoelectron spectra of hydroxy-, and halo-alkanes and halohydrins,
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Holmes, Lossing, et al., 1988
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Heats of formation of alkyl radicals from appearance energies,
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Selim and Helal, 1981
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Heat of formation of CH2=OH+ fragment ion,
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Chupka, 1959
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Effect of unimolecular decay kinetics on the interpretation of appearance potentials,
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Friedman, Long, et al., 1957
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Solka and Russell, 1974
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Holmes, Mommers, et al., 1984
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Two new stable [C3H8O]+ isomers: The radical cations [C3H6OH2]+,
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Lambdin, Tuffly, et al., 1959
Lambdin, W.J.; Tuffly, B.L.; Yarborough, V.A.,
Appearance potentials as obtained with an analytical mass spectrometer,
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Ellison, Engleking, et al., 1982
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Bartmess, Scott, et al., 1979
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The Fragmentation of Proton-Bound Cluster Ions and the Gas-Phase Acidities of Alcohols,
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. [all data]
Notes
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- Symbols used in this document:
AE Appearance energy Cp,gas Constant pressure heat capacity of gas Cp,liquid Constant pressure heat capacity of liquid Cp,solid Constant pressure heat capacity of solid IE (evaluated) Recommended ionization energy 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) 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 ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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