Acridine
- Formula: C13H9N
- Molecular weight: 179.2173
- IUPAC Standard InChIKey: DZBUGLKDJFMEHC-UHFFFAOYSA-N
- CAS Registry Number: 260-94-6
- 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: Acrydine; Benzo[b]quinoline; Dibenzo[b,e]pyridine; 10-Azaanthracene; 2,3-Benzoquinoline; 9-Azaanthracene; Akridin; UN 2713; NSC 3408; Acridine (Carbamazepine M)
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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:
BS - Robert L. Brown and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
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
DRB - Donald R. Burgess, Jr.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 618.7 | K | N/A | Weast and Grasselli, 1989 | BS |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 383. ± 2. | K | AVG | N/A | Average of 15 out of 16 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 383.24 | K | N/A | Steele, Chirico, et al., 1989 | Uncertainty assigned by TRC = 0.01 K; extrapolation of T-1/f, IPTS-68; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 93. ± 3. | kJ/mol | AVG | N/A | Average of 7 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
71.5 ± 0.2 | 400. | IPM,EB | Steele, Chirico, et al., 1989, 2 | Based on data from 383. to 637. K.; AC |
68.9 ± 0.1 | 440. | IPM,EB | Steele, Chirico, et al., 1989, 2 | Based on data from 383. to 637. K.; AC |
66.4 ± 0.1 | 480. | IPM,EB | Steele, Chirico, et al., 1989, 2 | Based on data from 383. to 637. K.; AC |
63.8 ± 0.1 | 520. | IPM,EB | Steele, Chirico, et al., 1989, 2 | Based on data from 383. to 637. K.; AC |
61.3 ± 0.2 | 560. | IPM,EB | Steele, Chirico, et al., 1989, 2 | Based on data from 383. to 637. K.; AC |
66.2 | 417. | A | Stephenson and Malanowski, 1987 | Based on data from 402. to 619. K. See also Stull, 1947.; AC |
62.9 | 465. | N/A | Sivaraman and Kobayashi, 1983 | Based on data from 423. to 621. K.; AC |
62.1 | 515. | N/A | Sivaraman and Kobayashi, 1983 | Based on data from 423. to 621. K.; AC |
61.5 | 595. | N/A | Sivaraman and Kobayashi, 1983 | Based on data from 423. to 621. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
402.6 to 619. | 4.84513 | 2805.33 | -39.349 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
86.0 | 430. | TGA | Lebedev, Chironov, et al., 1998 | AC |
89.5 ± 0.2 | 333. | C | Sabbah, Tabet, et al., 1994 | AC |
92.6 | 295. | N/A | Stephenson and Malanowski, 1987 | Based on data from 280. to 328. K.; AC |
92. ± 3. | 281.2 | V | McEachern, Sandoval, et al., 1975 | Hfusion=4.44±0.09 kcal/mol; ALS |
91.6 ± 2.5 | 290. | LE | McEachern, Sandoval, et al., 1975 | Based on data from 281. to 298. K.; AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
20.682 | 383.242 | N/A | Steele, Chirico, et al., 1989, 2 | DH |
20.682 | 383.242 | N/A | Steele, Chirico, et al., 1988 | DH |
18.58 | 383.2 | DSC | McEachern, Sandoval, et al., 1975 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
53.97 | 383.242 | Steele, Chirico, et al., 1989, 2 | DH |
53.97 | 383.242 | Steele, Chirico, et al., 1988 | 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.
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]
Steele, Chirico, et al., 1989
Steele, W.V.; Chirico, R.D.; Hossenlopp, I.A.; Nguyen, A.; Smith, N.K.; Gammon, B.E.,
The thermodynamic properties of the five benzoquinolines,
J. Chem. Thermodyn., 1989, 21, 81. [all data]
Steele, Chirico, et al., 1989, 2
Steele, W.V.; Chirico, R.D.; Hossenlopp, I.A.; Nguyen, A.; Smith, N.K.; Gammon, B.E.,
The thermodynamic properties of the five benzoquinolines,
J. Chem. Thermodyn., 1989, 21, 81-107. [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]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [all data]
Sivaraman and Kobayashi, 1983
Sivaraman, Alwarappa; Kobayashi, Riki,
Vapor pressures and enthalpies of vaporization of thianthrene, acridine, and 9-methylanthracene at elevated temperatures,
The Journal of Chemical Thermodynamics, 1983, 15, 12, 1127-1135, https://doi.org/10.1016/0021-9614(83)90003-4
. [all data]
Lebedev, Chironov, et al., 1998
Lebedev, V.P.; Chironov, V.V.; Vorob'eva, V.P.; Matyushin, Yu.N.,
Energy of the dissociation of the bond N-NO in methylnitrosohydrazine,
Khim. Fiz., 1998, 17, 9, 54. [all data]
Sabbah, Tabet, et al., 1994
Sabbah, R.; Tabet, D.; Belaadi, S.,
Etude thermodynamique de l'acridine,
Thermochim. Acta, 1994, 247, 201-207. [all data]
McEachern, Sandoval, et al., 1975
McEachern, D.M.; Sandoval, O.; Iniguez, J.C.,
Vapor pressures, derived enthalpies of sublimation, enthalpies of fusion, and resonance energies of acridine and phenazine,
J. Chem. Thermodyn., 1975, 7, 299-306. [all data]
Steele, Chirico, et al., 1988
Steele, W.V.; Chirico, R.D.; Hossenlopp, I.A.; Nguyen, A.,
The thermodynamic properties of the five benzoquinolines,
NIPER Report, 1988, 337, 59p. [all data]
Notes
Go To: Top, Phase change data, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point Ttriple Triple point temperature ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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