Perfluorodecaline, cis-
- Formula: C10F18
- Molecular weight: 462.0783
- IUPAC Standard InChIKey: UWEYRJFJVCLAGH-XIXRPRMCSA-N
- CAS Registry Number: 60433-11-6
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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- Other names: 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-Octadecafluorodecahydronaphthalene, cis-; cis-Perfluorodecalin; Naphthalene, octadecafluorodecahydro-, cis-
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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -3624.1 ± 4.5 | kJ/mol | Ccr | Zhogina, Papina, et al., 1987 |
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°liquid | -3670.3 ± 4.5 | kJ/mol | Ccr | Zhogina, Papina, et al., 1987 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -3486.3 ± 4.5 | kJ/mol | Ccr | Zhogina, Papina, et al., 1987 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 514.6 | J/mol*K | N/A | Zhogin, Kosarukina, et al., 1981 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
449.8 | 298.15 | Zhogin, Kosarukina, et al., 1981 | T = 6 to 310 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:
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 |
---|---|---|---|---|---|
Ttriple | 266.70 | K | N/A | Zhogin, Kosarukina, et al., 1981, 2 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.01 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 46.2 ± 0.1 | kJ/mol | C | Varushchenko, Druzhinina, et al., 1996 | AC |
ΔvapH° | 46.19 ± 0.12 | kJ/mol | C | Zhogina, Papina, et al., 1987 | ALS |
ΔvapH° | 46.7 ± 0.6 | kJ/mol | EB | Varushchenko, Bulgakova, et al., 1981 | AC |
ΔvapH° | 46.2 ± 0.1 | kJ/mol | C | Varushchenko, Bulgakova, et al., 1981 | AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
43.9 | 328. | Dykyj, Svoboda, et al., 1999 | Based on data from 313. to 415. K.; AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
10.3 | 266.7 | Domalski and Hearing, 1996 | AC |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
4.243 | 232.5 | crystaline, II | crystaline, I | Zhogin, Kosarukina, et al., 1981 | DH |
10.305 | 266.70 | crystaline, I | liquid | Zhogin, Kosarukina, et al., 1981 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
18.24 | 232.5 | crystaline, II | crystaline, I | Zhogin, Kosarukina, et al., 1981 | DH |
38.62 | 266.70 | crystaline, I | liquid | Zhogin, Kosarukina, et al., 1981 | DH |
Mass spectrum (electron ionization)
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | A.Pleshkova, Nesmeyanov Inst.Org.Elem.Cpds, Moscow |
NIST MS number | 283804 |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Zhogina, Papina, et al., 1987
Zhogina, E.V.; Papina, T.S.; Kolesov, V.P.; Mel'nichenko, B.A.; Zapol'skaya, M.A.; Prokudin, I.P.,
Standard enthalpies of formation of cis- and trans-perfluorodecalins,
Russ. J. Phys. Chem. (Engl. Transl.), 1987, 61, 1523-1525. [all data]
Zhogin, Kosarukina, et al., 1981
Zhogin, D.Yu.; Kosarukina, E.A.; Kolesov, V.P.,
The heat capacity in the range 6-310 K, phase transformations, and thermodynamic functions of perfluorodecalins,
Zhur. Fiz. Khim., 1981, 55, 1955-1960. [all data]
Zhogin, Kosarukina, et al., 1981, 2
Zhogin, D.Yu.; Kosarukina, E.A.; Kolesov, V.P.,
The heat capacities in the range 6-310 K, phase transformation, and thermodynamic functions of perfluorodecalins,
Zh. Fiz. Khim., 1981, 55, 1955. [all data]
Varushchenko, Druzhinina, et al., 1996
Varushchenko, Raisa M.; Druzhinina, Anna I.; Pashchenko, Larisa L.,
Thermodynamics of vaporization of some cyclic perfluorocarbons,
Fluid Phase Equilibria, 1996, 126, 1, 93-104, https://doi.org/10.1016/S0378-3812(96)03111-1
. [all data]
Varushchenko, Bulgakova, et al., 1981
Varushchenko, R.M.; Bulgakova, L.L.; Minzabekyants, P.S.; Makarov, K.N.,
Russ. J. Phys. Chem., 1981, 55, 1480. [all data]
Dykyj, Svoboda, et al., 1999
Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.L.; Hall, K.R.,
Vapor Pressure of Chemicals: Part A. Vapor Pressure and Antoine Constants for Hydrocarbons and Sulfur, Selenium, Tellurium and Hydrogen Containing Organic Compounds, Springer, Berlin, 1999, 373. [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]
Notes
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- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions 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
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