Phenanthrene, 9,10-dihydro-
- Formula: C14H12
- Molecular weight: 180.2451
- IUPAC Standard InChIKey: XXPBFNVKTVJZKF-UHFFFAOYSA-N
- CAS Registry Number: 776-35-2
- 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: 9,10-Dihydrophenanthrene
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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 as indicated in comments:
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 | 37.07 ± 0.38 | kcal/mol | Ccb | Lee-Bechtold, Hossenlopp, et al., 1979 | Hfusion=12.79 kJ/mol; ALS |
ΔfH°gas | 36.96 ± 0.38 | kcal/mol | Ccb | Shaw, David, et al., 1977 | Unpublished W.D.Good; ALS |
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].; GT |
16.21 | 100. | ||
22.65 | 150. | ||
30.079 | 200. | ||
42.089 | 273.15 | ||
46.30 ± 0.24 | 298.15 | ||
46.611 | 300. | ||
62.679 | 400. | ||
76.346 | 500. | ||
87.424 | 600. | ||
96.377 | 700. | ||
103.70 | 800. | ||
109.76 | 900. | ||
114.83 | 1000. | ||
119.11 | 1100. | ||
122.73 | 1200. | ||
125.83 | 1300. | ||
128.48 | 1400. | ||
130.76 | 1500. |
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 as indicated in comments:
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 | 15.8 ± 0.29 | kcal/mol | Ccb | Lee-Bechtold, Hossenlopp, et al., 1979 | Hfusion=12.79 kJ/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -1742.45 ± 0.24 | kcal/mol | Ccb | Lee-Bechtold, Hossenlopp, et al., 1979 | Hfusion=12.79 kJ/mol; Corresponding ΔfHºsolid = 15.85 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°solid,1 bar | 54.802 | cal/mol*K | N/A | Chirico, Hossenloop, et al., 1987 | DH |
S°solid,1 bar | 54.83 | cal/mol*K | N/A | Lee-Bechtold, Hossenlopp, et al., 1979 | DH |
Constant pressure heat capacity of solid
Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
58.098 | 298.15 | Chirico, Hossenloop, et al., 1987 | T = 10 to 350 K.; DH |
58.27 | 298.15 | Lee-Bechtold, Hossenlopp, et al., 1979 | T = 10 to 350 K.; DH |
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
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 308. | K | N/A | Anonymous, 1969 | Uncertainty assigned by TRC = 3. K; TRC |
Tfus | 370. | K | N/A | Parks and Huffman, 1931 | Uncertainty assigned by TRC = 1. K; TRC |
Tfus | 370. | K | N/A | Padoa, 1919 | Uncertainty assigned by TRC = 1. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 306.51 | K | N/A | Chirico, Gammon, et al., 1994 | Uncertainty assigned by TRC = 0.01 K; TRC |
Ttriple | 306.5200 | K | N/A | Lee-Bechtold, Hossenlopp, et al., 1979, 2 | Uncertainty assigned by TRC = 0.002 K; by extraplation of 1/f to zero; TRC |
Ttriple | 306.52 | K | N/A | Lee-Bechtold, Hossenlopp, et al., 1979, 2 | Uncertainty assigned by TRC = 0.02 K; by extraplation of 1/f to zero; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 18.3 ± 0.02 | kcal/mol | IP | Lee-Bechtold, Hossenlopp, et al., 1979 | Based on data from 353. to 418. K.; AC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 21.2 | kcal/mol | N/A | Lee-Bechtold, Hossenlopp, et al., 1979 | DRB |
Reduced pressure boiling point
Tboil (K) | Pressure (atm) | Reference | Comment |
---|---|---|---|
441.7 | 0.020 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
15.3 | 432. | A | Stephenson and Malanowski, 1987 | Based on data from 417. to 453. K.; AC |
17.3 ± 0.1 | 340. | IP | Lee-Bechtold, Hossenlopp, et al., 1979 | Based on data from 353. to 418. K.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
3.0569 | 306.52 | N/A | Lee-Bechtold, Hossenlopp, et al., 1979 | DH |
3.06 | 306.5 | AC | Domalski and Hearing, 1996 | See also Lee-Bechtold, Hossenlopp, et al., 1979.; AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
9.974 | 306.52 | Lee-Bechtold, Hossenlopp, et al., 1979 | DH |
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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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
By formula: H2 + C14H10 = C14H12
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -12. | kcal/mol | Eqk | Frye, 1962 | gas phase |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Lee-Bechtold, Hossenlopp, et al., 1979
Lee-Bechtold, S.H.; Hossenlopp, I.A.; Scott, D.W.; Osborn, A.G.; Good, W.D.,
A comprehensive thermodynamic study of 9,10-dihydrophenanthrene,
J. Chem. Thermodyn., 1979, 11, 469-482. [all data]
Shaw, David, et al., 1977
Shaw, R.G.; David, M.; Benson, S.W.,
Thermochemistry of some six-membered cyclic and polycyclic compounds related to coal,
J. Phys. Chem., 1977, 81, 1716-1729. [all data]
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]
Chirico, Hossenloop, et al., 1987
Chirico, R.D.; Hossenloop, I.A.; Nguyen, A.; Strube, M.M.; Steele, W.V.,
Thermodynamic studies related to the hydrogenation of phenanthrene,
NIPER Report, 1987, 247, 107p. [all data]
Anonymous, 1969
Anonymous, R.,
Freon Fluorocarbons - properties and applications, E. I. Du Pont, Freon Product Information, B-2, 1969. [all data]
Parks and Huffman, 1931
Parks, G.S.; Huffman, H.M.,
Some fusion and transition data for hydrocarbons,
Ind. Eng. Chem., 1931, 23, 1138-9. [all data]
Padoa, 1919
Padoa, M.,
Atti Accad. Naz. Lincei, Cl. Sci. Fis., Mat. Nat., Rend., 1919, 28, 239. [all data]
Chirico, Gammon, et al., 1994
Chirico, R.D.; Gammon, B.E.; Hossenlopp, I.A.; Steele, W.V.,
Heat capacities of 1,2,3,4-tetrahydrophenanthrene at temp. between 5 K and 430 K and revised heat capacities of 9,10-dihydrophenanthrene beaween 10 K and 350 K,
J. Chem. Thermodyn., 1994, 26, 469-81. [all data]
Lee-Bechtold, Hossenlopp, et al., 1979, 2
Lee-Bechtold, S.H.; Hossenlopp, I.A.; Scott, D.W.; Osborn, A.G.; Good, W.D.,
A Comprehensive Thermodynamic Study of 9,10-Dihydrophenanthrene,
J. Chem. Thermodyn., 1979, 11, 469. [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]
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]
Frye, 1962
Frye, C.G.,
Equilibria in the hydrogenation of polycyclic aromatics,
J. Chem. Eng. Data, 1962, 7, 592-595. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Cp,solid Constant pressure heat capacity of solid S°solid,1 bar Entropy of solid at standard conditions (1 bar) Tboil Boiling point Tfus Fusion (melting) point Ttriple Triple point temperature 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 ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔrH° Enthalpy of reaction at standard conditions ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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