Cyclotrisiloxane, hexamethyl-
- Formula: C6H18O3Si3
- Molecular weight: 222.4618
- IUPAC Standard InChIKey: HTDJPCNNEPUOOQ-UHFFFAOYSA-N
- CAS Registry Number: 541-05-9
- 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: Dimethylsiloxane cyclic trimer; Hexamethylcyclotrisiloxane; CH7260
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Condensed phase thermochemistry data
Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, 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: Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
S°solid,1 bar | 412.1 | J/mol*K | N/A | Kuliev, Dzhafarov, et al., 1982 |
Constant pressure heat capacity of solid
Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
360.0 | 298.15 | Kuliev, Dzhafarov, et al., 1982 | T = 4.2 to 370 K. Data given graphically except for data at 298.15 K. |
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
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 407. | K | N/A | PCR Inc., 1990 | BS |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 337. | K | N/A | Alvik and Dale, 1971 | Uncertainty assigned by TRC = 0.1 K; TRC |
Tfus | 339.5 | K | N/A | Osthoff, Grubb, et al., 1953 | Uncertainty assigned by TRC = 0.1 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 335.22 | K | N/A | Kuliev, Dzhafarov, et al., 1982, 2 | Uncertainty assigned by TRC = 0.02 K; TRC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
40.8 | 357. | EB | Flaningam, 1986 | Based on data from 342. to 419. K.; AC |
39.7 | 368. | N/A | Bragin and Karapet'yants, 1974 | Based on data from 353. to 403. K.; AC |
39. | 373. | N/A | Ditsent, Skorokhodov, et al., 1971 | Based on data from 339. to 407. K.; AC |
39.7 | 365. | N/A | Osthoff, Grubb, et al., 1953, 2 | Based on data from 343. to 388. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
297.4 to 335.6 | 1.75483 | 404.805 | -196.763 | Osthoff, Grubb, et al., 1953, 2 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
55.2 ± 0.4 | 316. | Osthoff, Grubb, et al., 1953, 2 | Based on data from 297. to 335. K.; AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
16.61 | 335.2 | Domalski and Hearing, 1996 | See also Alvik, Dale, et al., 1971.; AC |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
16.611 | 335.22 | crystaline, I | liquid | Kuliev, Dzhafarov, et al., 1982 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
49.5 | 335.22 | crystaline, I | liquid | Kuliev, Dzhafarov, et al., 1982 | DH |
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas Chromatography, 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
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
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 | NIST Mass Spectrometry Data Center, 1994 |
NIST MS number | 133472 |
Gas Chromatography
Go To: Top, Condensed phase thermochemistry data, Phase change data, 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SP-2100 | 827. | Fischer and Kusch, 1993 | He, 40. C @ 3. min, 5. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 280. C |
Capillary | Methyl Silicone | 833. | Fujimoto, Ohtani, et al., 1990 | 25. m/0.25 mm/0.1 μm, He, 5. K/min; Tstart: 40. C; Tend: 350. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Ultra-1 | 825. | Kazuyoshi, Seiichi, et al., 2000 | 30. m/0.25 mm/0.50 μm; Program: 40 0C (5 min) 10 0C/min -> 200 0C 20 0C/min -> 320 0C (13 min) |
Capillary | Ultra-1 | 828. | Kazuyoshi, Seiichi, et al., 2000 | 30. m/0.25 mm/0.50 μm; Program: 40 0C (5 min) 10 0C/min -> 200 0C 20 0C/min -> 320 0C (13 min) |
Capillary | Ultra-1 | 829. | Kazuyoshi, Seiichi, et al., 2000 | 30. m/0.25 mm/0.50 μm; Program: 40 0C (5 min) 10 0C/min -> 200 0C 20 0C/min -> 320 0C (13 min) |
Capillary | Ultra-1 | 830. | Kazuyoshi, Seiichi, et al., 2000 | 30. m/0.25 mm/0.50 μm; Program: 40 0C (5 min) 10 0C/min -> 200 0C 20 0C/min -> 320 0C (13 min) |
Capillary | Ultra-1 | 831. | Kazuyoshi, Seiichi, et al., 2000 | 30. m/0.25 mm/0.50 μm; Program: 40 0C (5 min) 10 0C/min -> 200 0C 20 0C/min -> 320 0C (13 min) |
Capillary | Ultra-1 | 831. | Kazuyoshi, Seiichi, et al., 2000 | 30. m/0.25 mm/0.50 μm; Program: 40 0C (5 min) 10 0C/min -> 200 0C 20 0C/min -> 320 0C (13 min) |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Kuliev, Dzhafarov, et al., 1982
Kuliev, A.M.; Dzhafarov, O.I.; Karasharli, K.A.; Kostryukov, V.N.,
Heat capacity and thermodynamic functions of cyclic methylphenylsiloxanes,
Zhur. Fiz. Khim., 1982, 56, 310-313. [all data]
PCR Inc., 1990
PCR Inc.,
Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [all data]
Alvik and Dale, 1971
Alvik, T.; Dale, J.,
On the Lack of Conformational Preferences for Cyclic Dimethylsiloxane Oligomers.,
Acta Chem. Scand., 1971, 25, 2131, https://doi.org/10.3891/acta.chem.scand.25-2131
. [all data]
Osthoff, Grubb, et al., 1953
Osthoff, R.C.; Grubb, W.T.; Burkhard, C.A.,
Physical Properties of organosilicon compounds. I. Hexamethylcyclotrisiloxane and Octamethylcyclotetrasiloxane,
J. Am. Chem. Soc., 1953, 75, 2227-9. [all data]
Kuliev, Dzhafarov, et al., 1982, 2
Kuliev, A.M.; Dzhafarov, O.I.; Karasharli, K.A.; Kostryukov, V.N.,
Heat capacity and thermodynamic functions of cyclic methylphenylsiloxanes,
Zh. Fiz. Khim., 1982, 56, 310-13. [all data]
Flaningam, 1986
Flaningam, Ora L.,
Vapor pressures of poly(dimethylsiloxane) oligomers,
J. Chem. Eng. Data, 1986, 31, 3, 266-272, https://doi.org/10.1021/je00045a002
. [all data]
Bragin and Karapet'yants, 1974
Bragin, G.P.; Karapet'yants, M.K.,
Russ. J. Phys. Chem., 1974, 48, 612. [all data]
Ditsent, Skorokhodov, et al., 1971
Ditsent, V.E.; Skorokhodov, I.I.; Terent'eva, N.A.; Zolotareva, M.N.,
Russ. J. Phys. Chem., 1971, 45, 6, 901. [all data]
Osthoff, Grubb, et al., 1953, 2
Osthoff, Robert C.; Grubb, W.T.; Burkhard, Charles A.,
Physical Properties of Organosilicon Compounds. I. Hexamethylcyclotrisiloxane and Octamethylcyclotetrasiloxane,
J. Am. Chem. Soc., 1953, 75, 9, 2227-2229, https://doi.org/10.1021/ja01105a060
. [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]
Alvik, Dale, et al., 1971
Alvik, Thor; Dale, Johannes; Fernholt, L.; Hedberg, Kenneth; Schaumburg, Kjeld; Ehrenberg, L.,
On the Lack of Conformational Preferences for Cyclic Dimethylsiloxane Oligomers.,
Acta Chem. Scand., 1971, 25, 2131-2141, https://doi.org/10.3891/acta.chem.scand.25-2131
. [all data]
Fischer and Kusch, 1993
Fischer, G.W.; Kusch, P.,
An Automated Curie-Point Pyrolysis-High Resolution Gas Chromatography System,
LC-GC Int., 1993, 6, 12, 760-763. [all data]
Fujimoto, Ohtani, et al., 1990
Fujimoto, S.; Ohtani, H.; Yamagiwa, K.; Tsuge, S.,
Study on retention behavior of cyclic siloxanes by high resolution pyrolysis-gas chromatography with a fused silica capillary column,
J. Hi. Res. Chromatogr., 1990, 13, 6, 397-404, https://doi.org/10.1002/jhrc.1240130603
. [all data]
Kazuyoshi, Seiichi, et al., 2000
Kazuyoshi, N.; Seiichi, Y.; Kazuo, K.; Katsumi, I.; Okihiko, S.,
Polymer analysis by improved pyrolysis gas chromatography hyphenated with four specific detectors,
J. Soc. Cosmet. Chem. Jpn., 2000, 34, 2, 142-151, https://doi.org/10.5107/sccj.34.142
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
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 ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfusH Enthalpy of fusion ΔsubH Enthalpy of sublimation ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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