Isopropyl Alcohol

Formula: C₃H₈O
Molecular weight: 60.0950
IUPAC Standard InChI: InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
IUPAC Standard InChIKey: KFZMGEQAYNKOFK-UHFFFAOYSA-N
CAS Registry Number: 67-63-0
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: 2-Propanol; sec-Propyl Alcohol; Alcojel; Alcosolve 2; Avantin; Avantine; Combi-Schutz; Dimethylcarbinol; Hartosol; Imsol A; Isohol; Isopropanol; Lutosol; Petrohol; Propol; PRO; Takineocol; 1-Methylethyl Alcohol; iso-C3H7OH; 2-Hydroxypropane; Propane, 2-hydroxy-; sec-Propanol; Propan-2-ol; i-Propylalkohol; Alcolo; Alcool isopropilico; Alcool isopropylique; Alkolave; Arquad DMCB; iso-Propylalkohol; Isopropyl alcohol, rubbing; IPA; Lavacol; Visco 1152; Alcosolve; i-Propanol; 2-Propyl alcohol; Spectrar; Sterisol hand disinfectant; UN 1219; n-Propan-2-ol; 1-methylethanol; Propanol-2; Virahol; IPS 1
Permanent link for this species. Use this link for bookmarking this species for future reference.
Information on this page:
Other data available:
Data at other public NIST sites:
Options:
- Switch to calorie-based units

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.

Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, References, Notes

Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_gas	-272.8	kJ/mol	Eqk	Buckley and Herington, 1965	ALS
Δ_fH°_gas	-271.1	kJ/mol	N/A	Chao and Rossini, 1965	Value computed using Δ_fH_liquid° value of -317.0±0.3 kj/mol from Chao and Rossini, 1965 and Δ_vapH° value of 45.9 kj/mol from Snelson and Skinner, 1961.; DRB
Δ_fH°_gas	-272.3 ± 0.92	kJ/mol	Ccb	Snelson and Skinner, 1961	ALS
Δ_fH°_gas	-272.8	kJ/mol	N/A	Parks, Mosley, et al., 1950	Value computed using Δ_fH_liquid° value of -318.7 kj/mol from Parks, Mosley, et al., 1950 and Δ_vapH° value of 45.9 kj/mol from Snelson and Skinner, 1961.; DRB

Constant pressure heat capacity of gas

C_p,gas (J/mol*K)	Temperature (K)	Reference	Comment
35.32	50.	Thermodynamics Research Center, 1997	p=1 bar. Discrepancies with other statistically calculated values [ Green J.H.S., 1963] and [51KOB] increase at high temperatures up to 5 and 9 J/mol*K, respectively, in Cp(T). There is a good agreement with results [ Chao J., 1986]. Please also see Chao J., 1986, 2.; GT
46.04	100.
57.98	150.
68.28	200.
83.72	273.15
89.32 ± 0.15	298.15
89.74	300.
112.15	400.
131.96	500.
148.30	600.
161.75	700.
173.04	800.
182.67	900.
190.97	1000.
198.16	1100.
204.41	1200.
209.85	1300.
214.60	1400.
218.75	1500.
227.0	1750.
233.1	2000.
237.6	2250.
241.0	2500.
243.7	2750.
245.7	3000.

Constant pressure heat capacity of gas

C_p,gas (J/mol*K)	Temperature (K)	Reference	Comment
103.06	358.72	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 1.59 J/molK. The accuracy of the experimental heat capacities [ Stromsoe E., 1970] is estimated as less than 0.3%. Other experimental values of Cp [ Parks G.S., 1940] (118.83 at 427.9 K, 127.61 at 457.7 K, and 135.56 J/mol*K at 480.3 K) are believed to be less reliable. Please also see Hales J.L., 1963, Berman N.S., 1964.; GT
105.7 ± 1.6	365.75
105.77	371.15
106.29	373.15
108.1 ± 1.6	378.85
109.2 ± 1.6	384.95
110.08	391.15
110.8 ± 1.6	393.65
111.65	398.15
113.0 ± 1.6	405.35
114.35	411.15
117.02	423.15
118.70	431.15
122.10	448.15
122.80	451.15
121.7 ± 1.6	453.15
124.2 ± 1.6	466.75
127.01	473.15
126.7 ± 1.6	480.55
130.3 ± 1.6	499.75
132.9 ± 1.6	513.95
137.5 ± 1.6	539.05
142.6 ± 1.6	567.05
148.1 ± 1.6	597.25

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, 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	-317.0 ± 0.3	kJ/mol	Ccb	Chao and Rossini, 1965	see Rossini, 1934; ALS
Δ_fH°_liquid	-318.2 ± 0.71	kJ/mol	Ccb	Snelson and Skinner, 1961	ALS
Δ_fH°_liquid	-318.7	kJ/mol	Ccb	Parks, Mosley, et al., 1950	see Parks and Moore, 1939; ALS
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_liquid	-2006.9 ± 0.2	kJ/mol	Ccb	Chao and Rossini, 1965	see Rossini, 1934; Corresponding Δ_fHº_liquid = -316.9 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δ_cH°_liquid	-2005.8 ± 0.4	kJ/mol	Ccb	Snelson and Skinner, 1961	Corresponding Δ_fHº_liquid = -318.1 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δ_cH°_liquid	-2005.1	kJ/mol	Ccb	Parks, Mosley, et al., 1950	see Parks and Moore, 1939; Corresponding Δ_fHº_liquid = -318.7 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity	Value	Units	Method	Reference	Comment
S°_liquid	180.58	J/mol*K	N/A	Andon, Counsell, et al., 1963	DH
S°_liquid	179.9	J/mol*K	N/A	Kelley, 1929	DH
S°_liquid	192.9	J/mol*K	N/A	Parks and Kelley, 1928	Extrapolation below 70 K, 43.56 J/mol*K.; DH
S°_liquid	190.8	J/mol*K	N/A	Parks and Kelley, 1925	Extrapolation below 90 K, 53.22 J/mol*K.; DH

Constant pressure heat capacity of liquid

C_p,liquid (J/mol*K)	Temperature (K)	Reference	Comment
161.2	298.15	Roux, Roberts, et al., 1980	DH
154.75	298.15	Brown and Ziegler, 1979	T = 185 to 304 K. Results as equation only.; DH
165.6	311.6	Griigo'ev, Yanin, et al., 1979	T = 311 to 453 K. p = 0.98 bar.; DH
154.43	298.15	Andon, Counsell, et al., 1963	T = 10 to 330 K.; DH
162.8	298.2	Katayama, 1962	T = 10 to 60°C.; DH
180.3	324.	Swietoslawski and Zielenkiewicz, 1958	Mean value 21 to 81°C.; DH
154.0	298.	Ginnings and Corruccini, 1948	T = 0 to 200°C.; DH
159.99	298.04	Zhdanov, 1945	T = 7 to 41°C. Value is unsmoothed experimental datum.; DH
172.4	303.2	Phillip, 1939	DH
163.6	298.	Trew and Watkins, 1933	DH
149.75	292.84	Kelley, 1929	T = 16 to 298 K. Value is unsmoothed experimental datum.; DH
180.3	298.1	Parks, Kelley, et al., 1929	Extrapolation below 90 K, 42.68 J/mol*K.; DH
151.0	293.1	Parks and Kelley, 1928	T = 71 to 293 K. Value is unsmoothed experimental datum.; DH
152.3	293.1	Parks and Kelley, 1925	T = 71 to 293 K. Value is unsmoothed experimental datum.; DH
169.9	303.	Willams and Daniels, 1924	T = 303 to 323 K. Equation only.; DH

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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
MM - Michael M. Meot-Ner (Mautner)
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

View reactions leading to C₃H₈O⁺ (ion structure unspecified)

Quantity	Value	Units	Method	Reference	Comment
IE (evaluated)	10.17 ± 0.02	eV	N/A	N/A	L
Quantity	Value	Units	Method	Reference	Comment
Proton affinity (review)	793.0	kJ/mol	N/A	Hunter and Lias, 1998	HL
Quantity	Value	Units	Method	Reference	Comment
Gas basicity	762.6	kJ/mol	N/A	Hunter and Lias, 1998	HL

Proton affinity at 298K

Proton affinity (kJ/mol)	Reference	Comment
796. ± 6.	Cao and Holmes, 2001	MM

Ionization energy determinations

IE (eV)	Method	Reference	Comment
10.15 ± 0.07	EI	Bowen and Maccoll, 1984	LBLHLM
10.10 ± 0.02	PI	Potapov and Sorokin, 1972	LLK
10.29 ± 0.02	PE	Cocksey, Eland, et al., 1971	LLK
10.18	PE	Dewar and Worley, 1969	RDSH
10.12 ± 0.03	PI	Refaey and Chupka, 1968	RDSH
10.15 ± 0.05	PI	Watanabe, 1957	RDSH
10.44	PE	Benoit and Harrison, 1977	Vertical value; LLK
10.49 ± 0.03	PE	Peel and Willett, 1975	Vertical value; LLK
10.42	PE	Robin and Kuebler, 1973	Vertical value; LLK
10.36	PE	Katsumata, Iwai, et al., 1973	Vertical value; LLK
10.42	PE	Baker, Betteridge, et al., 1971	Vertical value; LLK

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
CH₃⁺	30.2 ± 0.2	?	EI	Olmsted, Street, et al., 1964	RDSH
CH₃O⁺	12.5	?	EI	Friedman, Long, et al., 1957	RDSH
C₂H₃⁺	14.6	?	EI	Friedman, Long, et al., 1957	RDSH
C₂H₄O⁺	10.27 ± 0.09	CH₄	EI	Bowen and Maccoll, 1984	LBLHLM
C₂H₄O⁺	10.26	CH₄	EI	Holmes, Burgers, et al., 1982	LBLHLM
C₂H₄O⁺	10.23 ± 0.02	CH₄	PI	Potapov and Sorokin, 1972	LLK
C₂H₄O⁺	10.27 ± 0.03	CH₄	PI	Refaey and Chupka, 1968	RDSH
C₂H₅O⁺	10.20 ± 0.08	CH₃	EI	Bowen and Maccoll, 1984	LBLHLM
C₂H₅O⁺	10.26	CH₃	EI	Lossing, 1977	LLK
C₂H₅O⁺	10.40 ± 0.03	CH₃	PI	Potapov and Sorokin, 1972	LLK
C₂H₅O⁺	10.70	CH₃	EI	Haney and Franklin, 1969	RDSH
C₂H₅O⁺	10.40	CH₃	PI	Refaey and Chupka, 1968	RDSH
C₃H₆⁺	~12.0 ± 0.9	H₂O	EI	Bowen and Maccoll, 1984	LBLHLM
C₃H₆⁺	~12.0	H₂O	PI	Refaey and Chupka, 1968	RDSH
C₃H₇⁺	11.6	OH	PI	Refaey and Chupka, 1968	RDSH
C₃H₇O⁺	≤10.48 ± 0.08	H	EI	Bowen and Maccoll, 1984	LBLHLM
C₃H₇O⁺	≤10.48	H	EI	Lossing, 1977	LLK
C₃H₇O⁺	10.3 ± 0.5	H	PI	Potapov and Sorokin, 1972	LLK
C₃H₇O⁺	10.6	H	PI	Refaey and Chupka, 1968	RDSH
C₃H₇O⁺	11.85	H	EI	Lambdin, Tuffly, et al., 1959	RDSH

De-protonation reactions

C₃H₇O^- + = Isopropyl Alcohol

By formula: C₃H₇O^- + H⁺ = C₃H₈O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1569. ± 4.2	kJ/mol	D-EA	Ramond, Davico, et al., 2000	gas phase; B
Δ_rH°	1571. ± 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°	1576. ± 4.2	kJ/mol	CIDT	DeTuri and Ervin, 1999	gas phase; B
Δ_rH°	1572. ± 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°	1542. ± 4.6	kJ/mol	H-TS	Ramond, Davico, et al., 2000	gas phase; B
Δ_rG°	1543. ± 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°	1544. ± 8.8	kJ/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

Buckley and Herington, 1965
Buckley, E.; Herington, E.F.G., Equilibria in some secondary alcohol + hydrogen + ketone systems, Trans. Faraday Soc., 1965, 61, 1618-1625. [all data]

Chao and Rossini, 1965
Chao, J.; Rossini, F.D., Heats of combustion, formation, and isomerization of nineteen alkanols, J. Chem. Eng. Data, 1965, 10, 374-379. [all data]

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]

Parks, Mosley, et al., 1950
Parks, G.S.; Mosley, J.R.; Peterson, P.V., Jr., Heats of combustion and formation of some organic compounds containing oxygen, J. Chem. Phys., 1950, 18, 152. [all data]

Thermodynamics Research Center, 1997
Thermodynamics Research Center, Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]

Green J.H.S., 1963
Green J.H.S., Thermodynamic properties of organic oxygen compounds. Part 12. Vibrational assignment and calculated thermodynamic properties 0-1000 K of isopropyl alcohol, Trans. Faraday Soc., 1963, 59, 1559-1563. [all data]

Chao J., 1986
Chao J., Ideal gas thermodynamic properties of simple alkanols, Int. J. Thermophys., 1986, 7, 431-442. [all data]

Chao J., 1986, 2
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]

Stromsoe E., 1970
Stromsoe E., Heat capacity of alcohol vapors at atmospheric pressure, J. Chem. Eng. Data, 1970, 15, 286-290. [all data]

Parks G.S., 1940
Parks G.S., Some heat capacity data for isopropyl alcohol vapor, J. Chem. Phys., 1940, 8, 429. [all data]

Hales J.L., 1963
Hales J.L., Thermodynamic properties of organic oxygen compounds. Part 10. Measurement of vapor heat capacities and latent heats of vaporization of isopropyl alcohol, Trans. Faraday Soc., 1963, 59, 1544-1554. [all data]

Berman N.S., 1964
Berman N.S., Vapor heat capacity and heat of vaporization of 2-propanol, J. Chem. Eng. Data, 1964, 9, 218-219. [all data]

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, J. Res. NBS, 1934, 13, 189-197. [all data]

Parks and Moore, 1939
Parks, G.S.; Moore, G.E., The heat of combustion of isopropanol, J. Chem. Phys., 1939, 7, 1066-1067. [all data]

Andon, Counsell, et al., 1963
Andon, R.J.L.; Counsell, J.F.; Martin, J.F., Thermodynamic properties of organic oxygen compounds. Part II. The thermodynamic properties from 10 to 330 K of isopropyl alcohol, Trans. Faraday Soc., 1963, 59, 1555-1558. [all data]

Kelley, 1929
Kelley, K.K., The heats capacities of isopropyl alcohol and acetone from 16 to 298 °K and the corresponding entropies and free energies, J. Am. Chem. Soc., 1929, 51, 1145-1150. [all data]

Parks and Kelley, 1928
Parks, G.S.; Kelley, K.K., The application of the third law of thermodynamics to some organic reactions, J. Phys. Chem., 1928, 32, 734-750. [all data]

Parks and Kelley, 1925
Parks, G.S.; Kelley, K.K., Thermal data on organic compounds. II. The heat capacities of five organic compounds. The entropies and free energies of some homologous series of aliphatic compounds, J. Am. Chem. Soc., 1925, 47, 2089-2097. [all data]

Roux, Roberts, et al., 1980
Roux, G.; Roberts, D.; Perron, G.; Desnoyers, J.E., Microheterogeneity in aqueous-organic solutions: heat capacities, volumes and expansibilities of some alcohols, aminoalcohol and tertiary amines in water, J. Solution Chem., 1980, 9(9), 629-647. [all data]

Brown and Ziegler, 1979
Brown, G.N., Jr.; Ziegler, W.T., Temperature dependence of excess thermodynamic properties of ethanol + n-heptane and 2-propanol + n-heptane solutions, J. Chem. Eng. Data, 1979, 24, 319-330. [all data]

Griigo'ev, Yanin, et al., 1979
Griigo'ev, B.A.; Yanin, G.S.; Rastorguev, Yu.L.; Thermophysical parameters of alcohols, Tr. GIAP, 54, 1979, 57-64. [all data]

Katayama, 1962
Katayama, T., Heats of mixing, liquid heat capacities and enthalpy, concentration charts for methanol-water and isopropanol-water systems, Kagaku Kogaku, 1962, 26, 361-372. [all data]

Swietoslawski and Zielenkiewicz, 1958
Swietoslawski, W.; Zielenkiewicz, A., Mean specific heats of binary positive azeotropes, Bull. Acad. Pol. Sci. Ser. Sci. Chim., 1958, 6, 367-369. [all data]

Ginnings and Corruccini, 1948
Ginnings, D.C.; Corruccini, R.J., Liquid isopropyl alcohol. Enthalpy, entropy, and specific heat from 0° to 200°C, Ind. Eng. Chem., 1948, 40, 1990-1991. [all data]

Zhdanov, 1945
Zhdanov, A.K., On the thermal capacity of some pure liquids and azeotropic mixtures, Zhur. Obshch. Khim., 1945, 15, 895-902. [all data]

Phillip, 1939
Phillip, N.M., Adiabatic and isothermal compressibilities of liquids, Proc. Indian Acad. Sci., 1939, A9, 109-120. [all data]

Trew and Watkins, 1933
Trew, V.C.G.; Watkins, G.M.C., Some physical properties of mixtures of certain organic liquids, Trans. Faraday Soc., 1933, 29, 1310-1318. [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, J. Am. Chem. Soc., 1929, 51, 1969-1973. [all data]

Willams and Daniels, 1924
Willams, J.W.; Daniels, F., The specific heats of certain organic liquids at elevated temperatures, J. Am. Chem. Soc., 1924, 46, 903-917. [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Cao and Holmes, 2001
Cao, J.; Holmes, J.L., Determination of the proton affinities of secondary alcohols from the dissocation of proton-bound molecular trios, European J. Mass Spectrom., 2001, 7, 243-247. [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]

Potapov and Sorokin, 1972
Potapov, V.K.; Sorokin, V.V., Kinetic energies of products of dissociative photoionization of molecules. I. Aliphatic ketones and alcohols, Khim. Vys. Energ., 1972, 6, 387. [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, 1957
Watanabe, K., Ionization potentials of some molecules, J. Chem. Phys., 1957, 26, 542. [all data]

Benoit and Harrison, 1977
Benoit, F.M.; Harrison, A.G., Predictive value of proton affinity. Ionization energy correlations involving oxygenated molecules, J. Am. Chem. Soc., 1977, 99, 3980. [all data]

Peel and Willett, 1975
Peel, J.B.; Willett, G.D., Photoelectron spectroscopic studies of the higher alcohols, Aust. J. Chem., 1975, 28, 2357. [all data]

Robin and Kuebler, 1973
Robin, M.B.; Kuebler, N.A., Excited electronic states of the simple alcohols, J. Electron Spectrosc. Relat. Phenom., 1973, 1, 13. [all data]

Katsumata, Iwai, et al., 1973
Katsumata, S.; Iwai, T.; Kimura, K., 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
Baker, A.D.; Betteridge, D.; Kemp, N.R.; Kirby, R.E., Application of photoelectron spectrometry to pesticide analysis. II.Photoelectron spectra of hydroxy-, and halo-alkanes and halohydrins, Anal. Chem., 1971, 43, 375. [all data]

Olmsted, Street, et al., 1964
Olmsted, J., III; Street, K., Jr.; Newton, A.S., Excess-kinetic-energy ions in organic mass spectra, J. Chem. Phys., 1964, 40, 2114. [all data]

Friedman, Long, et al., 1957
Friedman, L.; Long, F.A.; Wolfsberg, M., Study of the mass spectra of the lower aliphatic alcohols, J. Chem. Phys., 1957, 27, 613. [all data]

Holmes, Burgers, et al., 1982
Holmes, J.L.; Burgers, P.C.; Mollah, Y.A., Alkane elimination from ionized alkanols, Org. Mass Spectrom., 1982, 17, 127. [all data]

Lossing, 1977
Lossing, F.P., Heats of formation of some isomeric [C_nH_2n+1]⁺ ions. Substitutional effects on ion stability, J. Am. Chem. Soc., 1977, 99, 7526. [all data]

Haney and Franklin, 1969
Haney, M.A.; Franklin, J.L., Excess energies in mass spectra of some oxygen-containing organic compounds, J. Chem. Soc. Faraday Trans., 1969, 65, 1794. [all data]

Lambdin, Tuffly, et al., 1959
Lambdin, W.J.; Tuffly, B.L.; Yarborough, V.A., Appearance potentials as obtained with an analytical mass spectrometer, Appl. Spectry., 1959, 13, 71. [all data]

Ramond, Davico, et al., 2000
Ramond, T.M.; Davico, G.E.; Schwartz, R.L.; Lineberger, W.C., Vibronic structure of alkoxy radicals via photoelectron spectroscopy, J. Chem. Phys., 2000, 112, 3, 1158-1169, https://doi.org/10.1063/1.480767 . [all data]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]

DeTuri and Ervin, 1999
DeTuri, V.F.; Ervin, K.M., Competitive threshold collision-induced dissociation: Gas-phase acidities and bond dissociation energies for a series of alcohols, J. Phys. Chem. A, 1999, 103, 35, 6911-6920, https://doi.org/10.1021/jp991459m . [all data]

Haas and Harrison, 1993
Haas, M.J.; Harrison, A.G., The Fragmentation of Proton-Bound Cluster Ions and the Gas-Phase Acidities of Alcohols, Int. J. Mass Spectrom. Ion Proc., 1993, 124, 2, 115, https://doi.org/10.1016/0168-1176(93)80003-W . [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, References

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
IE (evaluated)	Recommended ionization energy
S°_liquid	Entropy of liquid at standard conditions
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_rG°	Free energy of reaction at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
Customer support for NIST Standard Reference Data products.