Isoquinoline
- Formula: C9H7N
- Molecular weight: 129.1586
- IUPAC Standard InChIKey: AWJUIBRHMBBTKR-UHFFFAOYSA-N
- CAS Registry Number: 119-65-3
- 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: β-Quinoline; Benzopyridine; Benzo[c]pyridine; Leucoline; 2-Azanaphthalene; 2-Benzazine; 2-Benzanine; Isochinolin; NSC 3395
- 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:
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.
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
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 515. ± 2. | K | AVG | N/A | Average of 8 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 297. ± 3. | K | AVG | N/A | Average of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 299.62 | K | N/A | Steele, Archer, et al., 1988 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.03 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 803.15 | K | N/A | Ambrose, 1963 | Uncertainty assigned by TRC = 7.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 59.5 | kJ/mol | N/A | Steele, Archer, et al., 1988, 2 | DRB |
Reduced pressure boiling point
Tboil (K) | Pressure (bar) | Reference | Comment |
---|---|---|---|
415.2 | 0.053 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
58.9 ± 0.1 | 320. | IP,EB | Steele, Archer, et al., 1988, 2 | Based on data from 313. to 566. K.; AC |
56.4 ± 0.1 | 360. | IP,EB | Steele, Archer, et al., 1988, 2 | Based on data from 313. to 566. K.; AC |
54.1 ± 0.1 | 400. | IP,EB | Steele, Archer, et al., 1988, 2 | Based on data from 313. to 566. K.; AC |
51.7 ± 0.1 | 440. | IP,EB | Steele, Archer, et al., 1988, 2 | Based on data from 313. to 566. K.; AC |
49.4 ± 0.2 | 480. | IP,EB | Steele, Archer, et al., 1988, 2 | Based on data from 313. to 566. K.; AC |
47.0 ± 0.3 | 520. | IP,EB | Steele, Archer, et al., 1988, 2 | Based on data from 313. to 566. K.; AC |
51.0 | 454. | A,EB | Stephenson and Malanowski, 1987 | Based on data from 439. to 517. K. See also Malanowski, 1961.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
439.93 to 516.9 | 3.99506 | 1693.807 | -91.852 | Malanowski, 1961, 2 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
13.54 | 299.6 | Domalski and Hearing, 1996 | AC |
Temperature of phase transition
Ttrs (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|
219.600 | crystaline, III | crystaline, II | Steele, Chirico, et al., 1986 | DH |
275.000 | crystaline, II | crystaline, I | Steele, Chirico, et al., 1986 | DH |
299.616 | crystaline, I | liquid | Steele, Chirico, et al., 1986 | DH |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.00 | 221.000 | crystaline, III | crystaline, II | Steele, Archer, et al., 1988, 2 | DH |
0.00 | 275.000 | crystaline, II | crystaline, I | Steele, Archer, et al., 1988, 2 | DH |
13.54417 | 299.620 | crystaline, I | liquid | Steele, Archer, et al., 1988, 2 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
45.20 | 299.620 | crystaline, I | liquid | Steele, Archer, et al., 1988, 2 | DH |
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.
Steele, Archer, et al., 1988
Steele, W.V.; Archer, D.G.; Chirico, R.D.; Collier, W.B.; Hossenlopp, I.A.; Nguyen, A.; Smith, N.K.; Gammon, B.E.,
The thermodynamic properties of quinoline and isoquinoline,
J. Chem. Thermodyn., 1988, 20, 1233-64. [all data]
Ambrose, 1963
Ambrose, D.,
Critical Temperatures of Some Phenols and Other Organic Compounds,
Trans. Faraday Soc., 1963, 59, 1988. [all data]
Steele, Archer, et al., 1988, 2
Steele, W.V.; Archer, D.G.; Chirico, R.D.; Collier, W.B.; Hossenlopp, I.A.; Nguyen, A.; Smith, N.K.; Gammon, B.E.,
The thermodynamic properties of quinoline and isoquinoline,
J. Chem. Thermodyn., 1988, 20, 1233-1264. [all data]
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]
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]
Malanowski, 1961
Malanowski, S.,
Bull. Acad. Pol. Sci. Ser. Sci. Chim., 1961, 9, 71. [all data]
Malanowski, 1961, 2
Malanowski, S.,
Vapour Pressures and Boiling Temperatures of Some Quinoline Bases,
Bull. Acad. Pol. Sci. Ser. Sci. Chim., 1961, 9, 2, 71-76. [all data]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [all data]
Steele, Chirico, et al., 1986
Steele, W.V.; Chirico, R.D.; Collier, W.B.; Hossenlopp, I.A.; Nguyen, A.; Strube, M.M.,
Thermochemical and thermophysical properties of organic nitrogen compounds found in fossil materials,
NIPER Report, 1986, 188, 112p. [all data]
Notes
Go To: Top, Phase change data, References
- Symbols used in this document:
Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature Ttrs Temperature of phase transition ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfusH Enthalpy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization 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.