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
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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
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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry 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	-65.19	kcal/mol	Eqk	Buckley and Herington, 1965	ALS
Δ_fH°_gas	-64.79	kcal/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	-65.07 ± 0.22	kcal/mol	Ccb	Snelson and Skinner, 1961	ALS
Δ_fH°_gas	-65.20	kcal/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 (cal/mol*K)	Temperature (K)	Reference	Comment
8.442	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
11.00	100.
13.86	150.
16.32	200.
20.01	273.15
21.35 ± 0.036	298.15
21.45	300.
26.804	400.
31.539	500.
35.445	600.
38.659	700.
41.358	800.
43.659	900.
45.643	1000.
47.361	1100.
48.855	1200.
50.155	1300.
51.291	1400.
52.283	1500.
54.25	1750.
55.71	2000.
56.79	2250.
57.60	2500.
58.25	2750.
58.72	3000.

Constant pressure heat capacity of gas

C_p,gas (cal/mol*K)	Temperature (K)	Reference	Comment
24.632	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
25.26 ± 0.38	365.75
25.280	371.15
25.404	373.15
25.83 ± 0.38	378.85
26.10 ± 0.38	384.95
26.310	391.15
26.48 ± 0.38	393.65
26.685	398.15
27.00 ± 0.38	405.35
27.330	411.15
27.968	423.15
28.370	431.15
29.183	448.15
29.350	451.15
29.09 ± 0.38	453.15
29.68 ± 0.38	466.75
30.356	473.15
30.29 ± 0.38	480.55
31.13 ± 0.38	499.75
31.75 ± 0.38	513.95
32.85 ± 0.38	539.05
34.08 ± 0.38	567.05
35.40 ± 0.38	597.25

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry 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	-75.77 ± 0.07	kcal/mol	Ccb	Chao and Rossini, 1965	see Rossini, 1934; ALS
Δ_fH°_liquid	-76.04 ± 0.17	kcal/mol	Ccb	Snelson and Skinner, 1961	ALS
Δ_fH°_liquid	-76.18	kcal/mol	Ccb	Parks, Mosley, et al., 1950	see Parks and Moore, 1939; ALS
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_liquid	-479.66 ± 0.05	kcal/mol	Ccb	Chao and Rossini, 1965	see Rossini, 1934; Corresponding Δ_fHº_liquid = -75.75 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δ_cH°_liquid	-479.4 ± 0.1	kcal/mol	Ccb	Snelson and Skinner, 1961	Corresponding Δ_fHº_liquid = -76.02 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δ_cH°_liquid	-479.24	kcal/mol	Ccb	Parks, Mosley, et al., 1950	see Parks and Moore, 1939; Corresponding Δ_fHº_liquid = -76.17 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity	Value	Units	Method	Reference	Comment
S°_liquid	43.160	cal/mol*K	N/A	Andon, Counsell, et al., 1963	DH
S°_liquid	43.00	cal/mol*K	N/A	Kelley, 1929	DH
S°_liquid	46.10	cal/mol*K	N/A	Parks and Kelley, 1928	Extrapolation below 70 K, 43.56 J/mol*K.; DH
S°_liquid	45.60	cal/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 (cal/mol*K)	Temperature (K)	Reference	Comment
38.53	298.15	Roux, Roberts, et al., 1980	DH
36.986	298.15	Brown and Ziegler, 1979	T = 185 to 304 K. Results as equation only.; DH
39.58	311.6	Griigo'ev, Yanin, et al., 1979	T = 311 to 453 K. p = 0.98 bar.; DH
36.910	298.15	Andon, Counsell, et al., 1963	T = 10 to 330 K.; DH
38.91	298.2	Katayama, 1962	T = 10 to 60°C.; DH
43.09	324.	Swietoslawski and Zielenkiewicz, 1958	Mean value 21 to 81°C.; DH
36.81	298.	Ginnings and Corruccini, 1948	T = 0 to 200°C.; DH
38.239	298.04	Zhdanov, 1945	T = 7 to 41°C. Value is unsmoothed experimental datum.; DH
41.20	303.2	Phillip, 1939	DH
39.10	298.	Trew and Watkins, 1933	DH
35.791	292.84	Kelley, 1929	T = 16 to 298 K. Value is unsmoothed experimental datum.; DH
43.09	298.1	Parks, Kelley, et al., 1929	Extrapolation below 90 K, 42.68 J/mol*K.; DH
36.09	293.1	Parks and Kelley, 1928	T = 71 to 293 K. Value is unsmoothed experimental datum.; DH
36.40	293.1	Parks and Kelley, 1925	T = 71 to 293 K. Value is unsmoothed experimental datum.; DH
40.61	303.	Willams and Daniels, 1924	T = 303 to 323 K. Equation only.; DH

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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]

Notes

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

Symbols used in this document:

C_p,gas	Constant pressure heat capacity of gas
C_p,liquid	Constant pressure heat capacity of liquid
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

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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