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 | -866.2 ± 1.1 | kcal/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 | -877.2 ± 1.1 | kcal/mol | Ccr | Zhogina, Papina, et al., 1987 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -833.2 ± 1.1 | kcal/mol | Ccr | Zhogina, Papina, et al., 1987 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 123.0 | cal/mol*K | N/A | Zhogin, Kosarukina, et al., 1981 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
107.5 | 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° | 11.0 ± 0.02 | kcal/mol | C | Varushchenko, Druzhinina, et al., 1996 | AC |
ΔvapH° | 11.04 ± 0.029 | kcal/mol | C | Zhogina, Papina, et al., 1987 | ALS |
ΔvapH° | 11.2 ± 0.1 | kcal/mol | EB | Varushchenko, Bulgakova, et al., 1981 | AC |
ΔvapH° | 11.0 ± 0.02 | kcal/mol | C | Varushchenko, Bulgakova, et al., 1981 | AC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
10.5 | 328. | Dykyj, Svoboda, et al., 1999 | Based on data from 313. to 415. K.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
2.46 | 266.7 | Domalski and Hearing, 1996 | AC |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
1.014 | 232.5 | crystaline, II | crystaline, I | Zhogin, Kosarukina, et al., 1981 | DH |
2.4630 | 266.70 | crystaline, I | liquid | Zhogin, Kosarukina, et al., 1981 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
4.359 | 232.5 | crystaline, II | crystaline, I | Zhogin, Kosarukina, et al., 1981 | DH |
9.230 | 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
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), NIST Subscription Links, Notes
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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