Cycloundecanone
- Formula: C11H20O
- Molecular weight: 168.2759
- IUPAC Standard InChIKey: UPOSSYJVWXLPTA-UHFFFAOYSA-N
- CAS Registry Number: 878-13-7
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -322.0 ± 2.2 | kJ/mol | Ccb | Wolf, 1972 |
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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -386.4 ± 2.1 | kJ/mol | Ccb | Wolf, 1972 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -6800.7 ± 2.0 | kJ/mol | Ccb | Wolf, 1972 | Corresponding ΔfHºliquid = -386.23 kJ/mol (simple calculation by NIST; no Washburn corrections) |
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
BS - Robert L. Brown and Stephen E. Stein
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 520.3 | K | N/A | Wolf, 1972, 2 | Uncertainty assigned by TRC = 1.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 64.35 ± 0.63 | kJ/mol | V | Wolf, 1972 | ALS |
ΔvapH° | 64.3 ± 0.6 | kJ/mol | N/A | Wolf, 1972 | AC |
Reduced pressure boiling point
Tboil (K) | Pressure (bar) | Reference | Comment |
---|---|---|---|
379.2 | 0.005 | Aldrich Chemical Company Inc., 1990 | BS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
60.3 | 378. | A | Stephenson and Malanowski, 1987 | Based on data from 363. to 433. K.; AC |
51.8 | 463. | A,EB | Stephenson and Malanowski, 1987 | Based on data from 448. to 501. K. See also Meyer and Hotz, 1976.; AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
23.0 | 287.7 | Gonthier-Vassal and Szwarc, 1998 | AC |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, 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
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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 | Japan AIST/NIMC Database- Spectrum MS-NW-9737 |
NIST MS number | 239354 |
Gas Chromatography
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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
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | OV-101 | 220. | 1474.4 | Didaoui, Touabet, et al., 1997 | N2, Chromosorb G HP; Column length: 2. m |
Capillary | SE-30 | 220. | 1465.4 | Didaoui, Touabet, et al., 1997 | 27. m/0.4 mm/1.13 μm, N2, Chromosorb G HP |
Capillary | SE-30 | 200. | 1471.9 | Didaoui, Touabet, et al., 1997 | 27. m/0.4 mm/0.1 μm, N2, Chromosorb G HP |
Capillary | Apolane | 220. | 1483.9 | Didaoui, Touabet, et al., 1997 | 43. m/0.29 mm/0.28 μm, N2 |
Packed | Apolane | 220. | 1488.5 | Didaoui, Touabet, et al., 1997 | 2. m/0.29 mm/0.28 μm, N2, Chromosorb G HP |
References
Go To: Top, Gas phase thermochemistry data, 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.
Wolf, 1972
Wolf, G.,
Thermochemische Untersuchungen an cyclischen Ketonen,
Helv. Chim. Acta, 1972, 55, 1446-1459. [all data]
Wolf, 1972, 2
Wolf, G.,
Thermochemical studies of cyclic ketones,
Helv. Chim. Acta, 1972, 55, 1446. [all data]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 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]
Meyer and Hotz, 1976
Meyer, Edwin F.; Hotz, Carol A.,
Cohesive energies in polar organic liquids. 3. Cyclic ketones,
J. Chem. Eng. Data, 1976, 21, 3, 274-279, https://doi.org/10.1021/je60070a035
. [all data]
Gonthier-Vassal and Szwarc, 1998
Gonthier-Vassal, Anne; Szwarc, Henri,
Thermodynamic properties of cycloketones: A DSC study,
Thermochimica Acta, 1998, 320, 1-2, 141-154, https://doi.org/10.1016/S0040-6031(98)00409-2
. [all data]
Didaoui, Touabet, et al., 1997
Didaoui, L.; Touabet, A.; Meklati, B.Y.,
Comparison of mathematical methods for the calculation of retention indices at high temperature in gas chromatography,
J. Hi. Res. Chromatogr., 1997, 20, 11, 605-610, https://doi.org/10.1002/jhrc.1240201107
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point 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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