Acenaphthylene
- Formula: C12H8
- Molecular weight: 152.1919
- IUPAC Standard InChI: InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H
- IUPAC Standard InChIKey: HXGDTGSAIMULJN-UHFFFAOYSA-N
- CAS Registry Number: 208-96-8
- 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: Cyclopenta[de]naphthalene; Acenaphthalene
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Gas phase thermochemistry data
Go To: Top, Condensed 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:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 263.2 ± 3.7 | kJ/mol | Review | Roux, Temprado, et al., 2008 | There are sufficient literature values to make a qualified recommendation where the suggested value is in good agreement with values predicted using thermochemical cycles or from reliable estimates. In general, the evaluated uncertainty limits are on the order of (2 to 4) kJ/mol.; DRB |
| ΔfH°gas | 264.0 | kJ/mol | N/A | Sadowska, 1966 | Value computed using ΔfHsolid° value of 193.0±4.0 kj/mol from Sadowska, 1966 and ΔsubH° value of 71.0 kj/mol from Boyd, Christensen, et al., 1965.; DRB |
| ΔfH°gas | 258. ± 5.9 | kJ/mol | Ccb | Boyd, Christensen, et al., 1965 | ALS |
Constant pressure heat capacity of gas
| Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 35.37 | 50. | Dorofeeva O.V., 1989 | These statistically calculated values were obtained using force field approximation for polycyclic aromatic hydrocarbons to estimate the needed vibrational frequencies (see also [ Dorofeeva O.V., 1986, Moiseeva N.F., 1990]). These functions are reproduced in the reference book [ Frenkel M., 1994].; GT |
| 49.89 | 100. | ||
| 72.11 | 150. | ||
| 98.74 | 200. | ||
| 140.55 | 273.15 | ||
| 154.8 ± 1.0 | 298.15 | ||
| 155.82 | 300. | ||
| 208.72 | 400. | ||
| 252.67 | 500. | ||
| 287.78 | 600. | ||
| 315.84 | 700. | ||
| 338.57 | 800. | ||
| 357.25 | 900. | ||
| 372.78 | 1000. | ||
| 385.82 | 1100. | ||
| 396.84 | 1200. | ||
| 406.22 | 1300. | ||
| 414.25 | 1400. | ||
| 421.16 | 1500. |
Condensed phase thermochemistry 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:
DRB - Donald R. Burgess, Jr.
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 |
|---|---|---|---|---|---|
| ΔfH°solid | 190.8 ± 3.5 | kJ/mol | Review | Roux, Temprado, et al., 2008 | There are sufficient literature values to make a qualified recommendation where the suggested value is in good agreement with values predicted using thermochemical cycles or from reliable estimates. In general, the evaluated uncertainty limits are on the order of (2 to 4) kJ/mol.; DRB |
| ΔfH°solid | 193. ± 4. | kJ/mol | Ccb | Sadowska, 1966 | ALS |
| ΔfH°solid | 187. ± 4.6 | kJ/mol | Ccb | Boyd, Christensen, et al., 1965 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -6058. ± 4. | kJ/mol | Ccb | Sadowska, 1966 | Corresponding ΔfHºsolid = 193. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°solid | -6052.2 ± 4.6 | kJ/mol | Ccb | Boyd, Christensen, et al., 1965 | Corresponding ΔfHºsolid = 187. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of solid
| Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 166.4 | 298. | Sadowska, Stepniewska, et al., 1969 | T = 20 to 89°C, equation only; liquid 90 to 150°C, equation only.; DH |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Roux, Temprado, et al., 2008
Roux, M.V.; Temprado, M.; Chickos, J.S.; Nagano, Y.,
Critically Evaluated Thermochemical Properties of Polycyclic Aromatic Hydrocarbons,
J. Phys. Chem. Ref. Data, 2008, 37, 4, 1855-1996. [all data]
Sadowska, 1966
Sadowska, K.W.,
Cieplo tworzenia i uwodornienia acenaftylenu,
Przem. Chem., 1966, 45, 66-67. [all data]
Boyd, Christensen, et al., 1965
Boyd, R.H.; Christensen, R.L.; Pua, R.,
The heats of combustion of acenaphthene, acenaphthylene, and fluoranthene. Strain and delocalization in bridged naphthalenes,
J. Am. Chem. Soc., 1965, 87, 3554-3559. [all data]
Dorofeeva O.V., 1989
Dorofeeva O.V.,
Thermodynamic Properties of Gaseous Polycyclic Aromatic Hydrocarbons Containing Five-Membered Rings. Institute for High Temperatures, USSR Academy of Sciences, Preprint No.1-263 (in Russian), Moscow, 1989. [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]
Moiseeva N.F., 1990
Moiseeva N.F.,
Group additivity scheme for calculating the chemical thermodynamic properties of gaseous polycyclic aromatic hydrocarbons containing five-membered rings,
Thermochim. Acta, 1990, 168, 179-186. [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]
Sadowska, Stepniewska, et al., 1969
Sadowska, K.W.; Stepniewska, G.B.; Recko, W.M.,
Specific heat and enthalpy of fusion of acenaphthene and acenaphthylene,
Przem. Chem., 1969, 48, 282-285. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Cp,solid Constant pressure heat capacity of solid 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 - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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