Isoquinoline, 3-methyl-
- Formula: C10H9N
- Molecular weight: 143.1852
- IUPAC Standard InChI: InChI=1S/C10H9N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h2-7H,1H3
- IUPAC Standard InChIKey: FVVXWRGARUACNW-UHFFFAOYSA-N
- CAS Registry Number: 1125-80-0
- 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: 3-Methylisoquinoline
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Phase change data
Go To: Top, 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 519.2 | K | N/A | Weast and Grasselli, 1989 | BS |
| Tboil | 526.30 | K | N/A | Zegalska, 1968 | Uncertainty assigned by TRC = 0.23 K; TRC |
| Tboil | 519.15 | K | N/A | Cooper, Crowne, et al., 1967 | Uncertainty assigned by TRC = 0.6 K; TRC |
| Tboil | 526.28 | K | N/A | Malanowska and Wecsile, 1964 | Uncertainty assigned by TRC = 0.07 K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| Tfus | 336.5 | K | N/A | Zegalska, 1968 | Uncertainty assigned by TRC = 0.2 K; TRC |
| Tfus | 336.8 | K | N/A | Malanowska and Wecsile, 1964 | Uncertainty assigned by TRC = 0.3 K; TRC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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| Temperature (K) | A | B | C | Reference | Comment |
|---|---|---|---|---|---|
| 449.46 to 527.74 | 4.06562 | 1699.582 | -108.272 | Malanowska and Wecsile, 1964, 2 | Coefficents calculated by NIST from author's data. |
Gas phase ion energetics data
Go To: Top, Phase change 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 by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to C10H9N+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 8.11 | PE | Schafer, Schweig, et al., 1975 |
| 7.74 ± 0.02 | PE | Maier, 1974 |
References
Go To: Top, Phase change 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.
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]
Zegalska, 1968
Zegalska, B.,
Liquid-Solid Equilibria in Binary Systems Formed by Quinoline,
Bull. Acad. Pol. Sci., Ser. Sci. Chim., 1968, 16, 335-41. [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]
Malanowska and Wecsile, 1964
Malanowska, B.; Wecsile, J.,
Vapour pressures and boiling temperatures of some quinoline bases.,
Bull. Acad. Pol. Sci., Ser. Sci. Chim., 1964, 12, 239. [all data]
Malanowska and Wecsile, 1964, 2
Malanowska, B.; Wecsile, J.,
Vapour Pressures and Boiling Temperatures of Some Quinoline Bases,
Bull. Acad. Pol. Sci. Ser. Sci. Chim., 1964, 12, 4, 239-241. [all data]
Schafer, Schweig, et al., 1975
Schafer, W.; Schweig, A.; Vermeer, H.; Bickel-haupt, F.; De Graaf, H.,
On the nature of the "free electron pair" on phosphorus in aromatic phosphorus compounds: the photoelectron spectrum of 2-phosphanaphthalene,
J. Electron Spectrosc. Relat. Phenom., 1975, 6, 91. [all data]
Maier, 1974
Maier, J.P.,
Photoelectron spectroscopy of peri- amino naphthalenes,
Helv. Chim. Acta, 1974, 57, 994. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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