Anthracene, 9,10-dihydro-
- Formula: C14H12
- Molecular weight: 180.2451
- IUPAC Standard InChIKey: WPDAVTSOEQEGMS-UHFFFAOYSA-N
- CAS Registry Number: 613-31-0
- 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: Anthracene, dihydro-; 9,10-Dihydroanthracene; para-hydroanthracene
- 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.
Gas phase thermochemistry 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: Glushko Thermocenter, Russian Academy of Sciences, Moscow
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
10.82 | 50. | Dorofeeva O.V., 1988 | Recommended values were calculated statistically mechanically using force field approximation for polycyclic aromatic hydrocarbons to estimate the needed vibrational frequencies (see also [ Dorofeeva O.V., 1986]). These functions are reproduced in the reference book [ Frenkel M., 1994]. |
15.81 | 100. | ||
22.26 | 150. | ||
29.730 | 200. | ||
41.790 | 273.15 | ||
46.01 ± 0.48 | 298.15 | ||
46.326 | 300. | ||
62.452 | 400. | ||
76.178 | 500. | ||
87.306 | 600. | ||
96.298 | 700. | ||
103.65 | 800. | ||
109.73 | 900. | ||
114.82 | 1000. | ||
119.10 | 1100. | ||
122.74 | 1200. | ||
125.83 | 1300. | ||
128.49 | 1400. | ||
130.77 | 1500. |
Phase change data
Go To: Top, Gas phase thermochemistry 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
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 585.2 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
Tboil | 578.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 382.18 | K | N/A | Chirico, Hossenlopp, et al., 1987 | Uncertainty assigned by TRC = 0.01 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 22.5 ± 0.2 | kcal/mol | ME | Malaspina, Gigli, et al., 1975 | AC |
Reduced pressure boiling point
Tboil (K) | Pressure (atm) | Reference | Comment |
---|---|---|---|
440.7 | 0.017 | Weast and Grasselli, 1989 | BS |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
22.4 | 383. | GS | Nass, Lenoir, et al., 1995 | Based on data from 313. to 453. K.; AC |
22.1 ± 1. | 318. to 379. | ME | Malaspina, Gigli, et al., 1975 | See also Stephenson and Malanowski, 1987.; AC |
22.3 ± 1. | 304. | N/A | Hoyer and Peperle, 1958 | Based on data from 279. to 328. K. See also Cox and Pilcher, 1970.; AC |
22.3 ± 1.0 | 279. | V | Hoyer and Peperle, 1958, 2 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = 21.7 kcal/mol; ALS |
21.4 | 388. | N/A | Magnus, Hartman, et al., 1951 | See also Jones, 1960.; AC |
21.4 | 293. | V | Magnus, Hartmann, et al., 1951 | ALS |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
5.6979 | 382.18 | Chirico, Hossenlopp, et al., 1987, 2 | DH |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
14.91 | 382.18 | Chirico, Hossenlopp, et al., 1987, 2 | DH |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Dorofeeva O.V., 1988
Dorofeeva O.V.,
Thermodynamic Properties of Polycyclic Aromatic Hydrocarbons in the Gaseous Phase. Institute for High Temperatures, USSR Academy of Sciences, Preprint No.1-238 (in Russian), Moscow, 1988. [all data]
Dorofeeva O.V., 1986
Dorofeeva O.V.,
On calculation of thermodynamic properties of polycyclic aromatic hydrocarbons,
Thermochim. Acta, 1986, 102, 59-66. [all data]
Frenkel M., 1994
Frenkel M.,
Thermodynamics of Organic Compounds in the Gas State, Vol. I, II, Thermodynamics Research Center, College Station, Texas, 1994, 1994. [all data]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [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]
Chirico, Hossenlopp, et al., 1987
Chirico, R.D.; Hossenlopp, I.A.; Nguyen, A.; Steele, W.V.,
Thermochem. and Thermophys. Prop. of Organic Compounds Derived from Fossil Substances. Thermodynamic Studies Related to the Hydrogenation of Anthracene, Natl. Inst. Pet. Energy Res. Rep. NIPER-239, Bartlesvill- e, OK, 1987. [all data]
Malaspina, Gigli, et al., 1975
Malaspina, L.; Gigli, R.; Bardi, G.; DeMaria, G.,
Vapor pressure and sublimation enthalpy of 9,10-dihydroanthracene,
Conf. Int. Thermodyn. Chim. C.R. 4th, 1975, 1, 54. [all data]
Nass, Lenoir, et al., 1995
Nass, Karen; Lenoir, Dieter; Kettrup, Antonius,
Calculation of the Thermodynamic Properties of Polycyclic Aromatic Hydrocarbons by an Incremental Procedure,
Angew. Chem. Int. Ed. Engl., 1995, 34, 16, 1735-1736, https://doi.org/10.1002/anie.199517351
. [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]
Hoyer and Peperle, 1958
Hoyer, H.; Peperle, W.,
Z. Elektrochem., 1958, 62, 61. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press Inc., London, 1970, 643. [all data]
Hoyer and Peperle, 1958, 2
Hoyer, H.; Peperle, W.,
Dampfdrunkmessungen an organischen substanzen und ihre sublimationswarmen,
Z. Electrochem., 1958, 62, 61-66. [all data]
Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P.,
Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]
Magnus, Hartman, et al., 1951
Magnus, A.; Hartman, H.; Becker, F.,
Erdol u Kohle, 1951, 4, 115. [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]
Magnus, Hartmann, et al., 1951
Magnus, A.; Hartmann, H.; Becker, F.,
Verbrennungswarmen und resonanzenergien von mehrkernigen aromatischen kohlenwasserstoffen,
Z. Phys. Chem., 1951, 197, 75-91. [all data]
Chirico, Hossenlopp, et al., 1987, 2
Chirico, R.D.; Hossenlopp, I.A.; Nguyen, A.; Steele, W.V.,
Thermochemical and thermophysical properties of organic compounds derived from fossil substances. Thermodynamic studies related to the hydrogenation of anthracene,
NIPER Report, 1987, 239, 67p. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Tboil Boiling point Ttriple Triple point temperature ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation 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.