Dicyclohexylsulphide
- Formula: C12H22S
- Molecular weight: 198.368
- IUPAC Standard InChIKey: FTAORUVBXKFVDA-UHFFFAOYSA-N
- CAS Registry Number: 7133-46-2
- 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: Dicyclohexyl sulfide; Cyclohexane, 1,1'-thiobis-
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Phase change data
Go To: Top, Mass spectrum (electron ionization), 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tc | 770. | K | N/A | Steele, Chirico, et al., 1997 | Uncertainty assigned by TRC = 6. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 23.70 | bar | N/A | Steele, Chirico, et al., 1997 | Uncertainty assigned by TRC = 2.00 bar; derived from fit of obs. vapor pressure; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 1.429 | mol/l | N/A | Steele, Chirico, et al., 1997 | Uncertainty assigned by TRC = 0.04 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 69.0 ± 0.7 | kJ/mol | EB | Steele, Chirico, et al., 1997, 2 | Based on data from 421. to 523. K.; AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
65.4 ± 0.2 | 340. | IP,EB | Steele, Chirico, et al., 2004 | Based on data from 335. to 523. K.; AC |
62.5 ± 0.1 | 380. | IP,EB | Steele, Chirico, et al., 2004 | Based on data from 335. to 523. K.; AC |
59.5 ± 0.1 | 420. | IP,EB | Steele, Chirico, et al., 2004 | Based on data from 335. to 523. K.; AC |
56.6 ± 0.1 | 440. | IP,EB | Steele, Chirico, et al., 2004 | Based on data from 335. to 523. K.; AC |
53.7 ± 0.1 | 480. | IP,EB | Steele, Chirico, et al., 2004 | Based on data from 335. to 523. K.; AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
5.68 | 284.2 | Steele, Chirico, et al., 2004 | AC |
Mass spectrum (electron ionization)
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: 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 | V.A.KOPTYUG, ATLAS OF MASS SPECTRA OF ORGANIC COMPOUNDS |
NIST MS number | 78689 |
References
Go To: Top, Phase change data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Steele, Chirico, et al., 1997
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A.; Smith, N.K.,
Thermocynamic Properties and Ideal-Gas Enthalpies of Formation for Carbonate, Piperazine, Hexachloroprop-1-ene, Tetrakis(dimethylamino) ethylene, N,N'-Bis(2-hydroxyethyl)ethylenediamine, and 1,2,4-Tr,
J. Chem. Eng. Data, 1997, 42, 1037-52. [all data]
Steele, Chirico, et al., 1997, 2
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A.; Smith, N.K.,
Thermodynamic Properties and Ideal-Gas Enthalpies of Formation for Dicyclohexyl Sulfide, Diethylenetriamine, Di- n -octyl Sulfide, Dimethyl Carbonate, Piperazine, Hexachloroprop-1-ene, Tetrakis(dimethylamino)ethylene, N , N '-Bis-(2-hydroxyethyl)ethylenediamine, and 1,2,4-Triazolo[1,5- a ]pyrimidine,
J. Chem. Eng. Data, 1997, 42, 6, 1037-1052, https://doi.org/10.1021/je9700986
. [all data]
Steele, Chirico, et al., 2004
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A.,
Possible precursors and products of deep hydrodesulfurization of gasoline and distillate fuels IV. Heat capacities, enthalpy increments, vapor pressures, and derived thermodynamic functions for dicyclohexylsulfide between the temperatures (5 and 520) K,
The Journal of Chemical Thermodynamics, 2004, 36, 10, 845-855, https://doi.org/10.1016/j.jct.2003.11.012
. [all data]
Notes
Go To: Top, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Pc Critical pressure Tc Critical temperature ΔfusH Enthalpy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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