Indole
- Formula: C8H7N
- Molecular weight: 117.1479
- IUPAC Standard InChIKey: SIKJAQJRHWYJAI-UHFFFAOYSA-N
- CAS Registry Number: 120-72-9
- 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: 1H-Indole; Ketole; 1-Azaindene; 1-Benzazole; 2,3-Benzopyrrole; Benzopyrrole; Indol; 1-H-indol
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Phase change data
Go To: Top, 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 527.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 526.15 | K | N/A | Cooper, Crowne, et al., 1967 | Uncertainty assigned by TRC = 0.6 K; TRC |
Tboil | 526.65 | K | N/A | Lecat, 1947 | Uncertainty assigned by TRC = 0.7 K; TRC |
Tboil | 526. | K | N/A | Adkins and Coonradt, 1941 | Uncertainty assigned by TRC = 4. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 325. ± 1. | K | AVG | N/A | Average of 10 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 77.6 ± 1.1 | kJ/mol | ME | Ribeiro da Silva, Cabral, et al., 2008 | Based on data from 275. to 291. K.; AC |
ΔsubH° | 95.0 | kJ/mol | V | Zimmerman and Geisenfelder, 1961 | ALS |
Reduced pressure boiling point
Tboil (K) | Pressure (bar) | Reference | Comment |
---|---|---|---|
396.7 | 0.007 | Weast and Grasselli, 1989 | BS |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
78.4 ± 1.4 | 283. | ME | Ribeiro da Silva, Cabral, et al., 2008 | Based on data from 275. to 291. K.; AC |
75.0 | 305. | A | Stephenson and Malanowski, 1987 | Based on data from 291. to 319. K.; AC |
77.8 ± 1.6 | 289. | ME | Arshadi, 1974 | Based on data from 275. to 303. K.; AC |
70.0 | 292. | N/A | Aihara, 1955 | Based on data from 283. to 301. K.; AC |
74.9 | 305. | N/A | Serpinskii, Voitkevich, et al., 1954 | Based on data from 283. to 328. K. See also Jones, 1960.; AC |
References
Go To: Top, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Cooper, Crowne, et al., 1967
Cooper, A.R.; Crowne, C.W.P.; Farrell, P.G.,
Gas-Liquid Chromatographic Studies of Electron-Donor-Acceptor Systems,
Trans. Faraday Soc., 1967, 63, 447. [all data]
Lecat, 1947
Lecat, M.,
Some azeotropes of which one constituant is heterocyclic nitrogen,
Ann. Soc. Sci. Bruxelles, Ser. 1, 1947, 61, 73. [all data]
Adkins and Coonradt, 1941
Adkins, H.; Coonradt, H.L.,
The Selective Hydrogenation of Derivatives of Pyrrole, Indole, Carbazole and Acridine,
J. Am. Chem. Soc., 1941, 63, 1563-70. [all data]
Ribeiro da Silva, Cabral, et al., 2008
Ribeiro da Silva, Manuel A.V.; Cabral, Joana I.T.A.; Gomes, Jose R.B.,
Experimental and Computational Study on the Molecular Energetics of Indoline and Indole,
J. Phys. Chem. A, 2008, 112, 47, 12263-12269, https://doi.org/10.1021/jp8065212
. [all data]
Zimmerman and Geisenfelder, 1961
Zimmerman, H.; Geisenfelder, H.,
Uber die Mesomerieenergie von Azolen,
Z. Electrochem., 1961, 65, 368-371. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Arshadi, 1974
Arshadi, Mohammed R.,
Determination of heats of sublimation of organic compounds by a mass spectrometric--knudsen effusion method,
J. Chem. Soc., Faraday Trans. 1, 1974, 70, 0, 1569, https://doi.org/10.1039/f19747001569
. [all data]
Aihara, 1955
Aihara, A.,
J. Chem. Soc. Jpn. Pure Chem. Sect., 1955, 76, 497. [all data]
Serpinskii, Voitkevich, et al., 1954
Serpinskii, V.V.; Voitkevich, S.A.; Lyuboshits, N.Y.,
Zh. Fiz. Khim., 1954, 28, 810. [all data]
Jones, 1960
Jones, A.H.,
Sublimation Pressure Data for Organic Compounds.,
J. Chem. Eng. Data, 1960, 5, 2, 196-200, https://doi.org/10.1021/je60006a019
. [all data]
Notes
Go To: Top, Phase change data, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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