3-Quinolinamine
- Formula: C9H8N2
- Molecular weight: 144.1732
- IUPAC Standard InChIKey: SVNCRRZKBNSMIV-UHFFFAOYSA-N
- CAS Registry Number: 580-17-6
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Quinoline, 3-amino-; 3-Aminoquinoline; 3-Quinolineamine; 3-Quinolylamine
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Gas phase thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 49.81 ± 0.53 | kcal/mol | Ccb | Ribeiro da Silva, Matos, et al., 1993 |
Condensed phase thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°solid | 25.17 ± 0.48 | kcal/mol | Ccb | Ribeiro da Silva, Matos, et al., 1993 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -1144.9 ± 0.38 | kcal/mol | Ccb | Ribeiro da Silva, Matos, et al., 1993 |
Phase change data
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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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 429.65 | K | N/A | Cumper, Ginman, et al., 1963 | Uncertainty assigned by TRC = 2. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 24.6 ± 0.2 | kcal/mol | C | Ribeiro da Silva, Matos, et al., 1993 | ALS |
ΔsubH° | 24.64 | kcal/mol | N/A | Ribeiro da Silva, Matos, et al., 1993 | DRB |
ΔsubH° | 24.6 ± 0.2 | kcal/mol | ME | da Silva, Matos, et al., 1993 | Based on data from 329. to 345. K.; AC |
ΔsubH° | 25.0 ± 1.1 | kcal/mol | C | da Silva, Matos, et al., 1993 | AC |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
24.2 ± 0.2 | 337. | ME | da Silva, Matos, et al., 1993 | Based on data from 329. to 345. K.; AC |
Reaction thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: John E. Bartmess
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
C9H7N2- + =
By formula: C9H7N2- + H+ = C9H8N2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 353.9 ± 2.9 | kcal/mol | G+TS | Breuker, Knochenmuss, et al., 1999 | gas phase; Acid: 3-amino-quinoline |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 346.7 ± 2.7 | kcal/mol | IMRB | Breuker, Knochenmuss, et al., 1999 | gas phase; Acid: 3-amino-quinoline |
Gas phase ion energetics data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: John E. Bartmess
De-protonation reactions
C9H7N2- + =
By formula: C9H7N2- + H+ = C9H8N2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 353.9 ± 2.9 | kcal/mol | G+TS | Breuker, Knochenmuss, et al., 1999 | gas phase; Acid: 3-amino-quinoline |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 346.7 ± 2.7 | kcal/mol | IMRB | Breuker, Knochenmuss, et al., 1999 | gas phase; Acid: 3-amino-quinoline |
IR Spectrum
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Coblentz Society, Inc.
Condensed Phase Spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.
Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Owner | COBLENTZ SOC. Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | DOW CHEMICAL COMPANY |
Source reference | COBLENTZ NO. 06498 |
Date | 1963/11/07 |
Name(s) | 3-quinolinylamine 3-quinolinamine |
State | SOLID (SPLIT MULL) SPECTRAL FEATURE AT 1997 CM-1 IS PROBABLY AN ARTIFACT CAUSED BY GRATING CHANGE |
Instrument | BECKMAN IR-9 (GRATING) |
Instrument parameters | ORDER CHANGES: 670, 1200, 2000 CM-1 |
Resolution | 2 |
Sampling procedure | TRANSMISSION |
Data processing | DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY |
Mass spectrum (electron ionization)
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Japan AIST/NIMC Database- Spectrum MS-NW-2595 |
NIST MS number | 234266 |
UV/Visible spectrum
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Spectrum
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Additional Data
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Source | Steck and Ewing, 1948 |
---|---|
Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
Source reference | RAS UV No. 9841 |
Instrument | n.i.g. |
Melting point | 93-95 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, NIST Subscription Links, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Ribeiro da Silva, Matos, et al., 1993
Ribeiro da Silva, M.A.V.; Matos, M.A.R.; Monte, M.J.S.; Alves, M.C.B.; Vieira, J.M.A.P.,
Enthalpies of combustion, vapour pressures, and enthalpies of sublimation of 3-,5-,6-, and 8-aminoquinoline,
J. Chem. Thermodyn., 1993, 25, 579-590. [all data]
Cumper, Ginman, et al., 1963
Cumper, C.W.N.; Ginman, R.F.A.; Redford, D.G.; Vogel, A.I.,
Physical Properties and Chemical Constitution. Part XXXVIII. The Electric Dipole Moments of Aminopyridines and Aminoquinolines.,
J. Chem. Soc., 1963, 1963, 1731. [all data]
da Silva, Matos, et al., 1993
da Silva, Manuel A.V. Ribeiro; Matos, M. Agostinha R.; Monte, Manuel J.S.; Alves, M. Céu B.; Vieira, João M.A.P.,
Enthalpies of combustion, vapour pressures, and enthalpies of sublimation of 3-, 5-, 6-, and 8-aminoquinoline,
The Journal of Chemical Thermodynamics, 1993, 25, 5, 579-590, https://doi.org/10.1006/jcht.1993.1052
. [all data]
Breuker, Knochenmuss, et al., 1999
Breuker, K.; Knochenmuss, R.; Zenobi, R.,
Gas-phase basicities of deprotonated matrix-assisted laser desorption/ionization matrix molecules,
Int. J. Mass Spectrom., 1999, 184, 1, 25-38, https://doi.org/10.1016/S1387-3806(98)14200-8
. [all data]
Steck and Ewing, 1948
Steck, E.A.; Ewing, G.W.,
J. Am. Chem. Soc., 1948, 70, 3397. [all data]
Notes
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- Symbols used in this document:
Tfus Fusion (melting) point ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions 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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