Oxacyclohexadecan-2-one

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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
Δfsolid-169. ± 1.kcal/molCcbYevstropov, Lebedev, et al., 1983ALS
Δfsolid-173.4 ± 2.2kcal/molCcbLebedev, Yevstropov, et al., 1981ALS
Quantity Value Units Method Reference Comment
Δcsolid-2198. ± 1.kcal/molCcbYevstropov, Lebedev, et al., 1983Corresponding Δfsolid = -169. kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcsolid-2193.6 ± 2.1kcal/molCcbLebedev, Yevstropov, et al., 1981Corresponding Δfsolid = -173.6 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
solid,1 bar115.4cal/mol*KN/AYevstropov, Lebedev, et al., 1983, 2DH
solid,1 bar115.4cal/mol*KN/ALebedev, Yevstropov, et al., 1981, 2DH

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
106.3298.15Yevstropov, Lebedev, et al., 1983, 2T = 5 to 330 K.; DH
106.2298.15Lebedev, Yevstropov, et al., 1981, 2T = 13.8 to 330 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
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tfus310.2KN/AVoitkevich and Lyubshits, 1957Uncertainty assigned by TRC = 1. K; TRC
Tfus310.15KN/ASerpinskii, Voitkevich, et al., 1954Uncertainty assigned by TRC = 0.6 K; TRC
Quantity Value Units Method Reference Comment
Ttriple308.5KN/AEvstropov, Lebedev, et al., 1983Crystal phase 1 phase; Uncertainty assigned by TRC = 0.1 K; TRC
Ttriple308.5KN/ALebedev, Evstropov, et al., 1981Crystal phase 1 phase; Uncertainty assigned by TRC = 1. K; TRC
Ttriple308.5KN/ALebedev, Evstropov, et al., 1979Crystal phase 1 phase; Uncertainty assigned by TRC = 0.1 K; TRC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
18.7378.AStephenson and Malanowski, 1987Based on data from 363. to 443. K.; AC
17.7315.A,MEStephenson and Malanowski, 1987Based on data from 310. to 320. K. See also Serpinskii, Voitkevich, et al., 1954, 2.; AC

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
19.4300.MEStephenson and Malanowski, 1987Based on data from 290. to 310. K. See also Jones, 1960 and Serpinskii, Voitkevich, et al., 1954, 2.; AC

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Method Reference Comment
1.67308.5ACPitzer, Peiper, et al., 1984Based on data from 10. to 370. K. See also Lebedev, Yevstropov, et al., 1981.; AC

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
23.06283.Domalski, Evans, et al., 1984CAL
5.413308.5

Enthalpy of phase transition

ΔHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
6.5249282.98crystaline, IIcrystaline, IYevstropov, Lebedev, et al., 1983, 2DH
1.668308.5crystaline, IliquidYevstropov, Lebedev, et al., 1983, 2DH
0.193.crystaline, I''crystaline, I'Yevstropov, Lebedev, et al., 1983, 2DH
6.5251282.98crystaline, IIcrystaline, ILebedev, Yevstropov, et al., 1981, 2DH
1.668308.5crystaline, IliquidLebedev, Yevstropov, et al., 1981, 2DH

Entropy of phase transition

ΔStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
23.0282.98crystaline, IIcrystaline, IYevstropov, Lebedev, et al., 1983, 2DH
5.40308.5crystaline, IliquidYevstropov, Lebedev, et al., 1983, 2DH
0.193.crystaline, I''crystaline, I'Yevstropov, Lebedev, et al., 1983, 2DH
23.0282.98crystaline, IIcrystaline, ILebedev, Yevstropov, et al., 1981, 2DH
5.40308.5crystaline, IliquidLebedev, Yevstropov, et al., 1981, 2DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


IR Spectrum

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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

Gas Phase Spectrum

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IR spectrum
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Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Sadtler Research Labs Under US-EPA Contract
State gas

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, 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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Mass 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 Japan AIST/NIMC Database- Spectrum MS-NW-7026
NIST MS number 236668

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


References

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, 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.

Yevstropov, Lebedev, et al., 1983
Yevstropov, A.A.; Lebedev, B.V.; Kiparisova, Ye.G., Thermodynamics of pentadecanolactone, of the process of its polymerization and of the resultant polypentadecanolactone in the 0-400 K region, Polym. Sci. USSR, 1983, 25, 1951-1959. [all data]

Lebedev, Yevstropov, et al., 1981
Lebedev, B.V.; Yevstropov, A.A.; Kiparisova, Ye.G., Thermodynamics of undecanolactone, tridecanolactone, and pentadecanolactone from 0 to 340 K, J. Chem. Thermodyn., 1981, 13, 1185-1204. [all data]

Yevstropov, Lebedev, et al., 1983, 2
Yevstropov, A.A.; Lebedev, B.V.; Krparisova, Ye.G., Thermodynamics of pentadecanolactone, of the process of its polymerization and of the resultant polypentadecanolactone in the 0 to 400 K region, Vysokomol. Soedin, Ser., 1983, A 25(8), 1679-1685. [all data]

Lebedev, Yevstropov, et al., 1981, 2
Lebedev, B.V.; Yevstropov, A.A.; Kiparisova, Y.G., Thermodynamic properties of undecanolactone over the range, 1981, Termodin. [all data]

Voitkevich and Lyubshits, 1957
Voitkevich, S.A.; Lyubshits, N.Yu., Maslob-Zhir. Prom-st., 1957, No. 4, 20. [all data]

Serpinskii, Voitkevich, et al., 1954
Serpinskii, V.V.; Voitkevich, S.A.; Lyuboshits, N.Y., Zh. Fiz. Khim., 1954, 28, 1969. [all data]

Evstropov, Lebedev, et al., 1983
Evstropov, A.A.; Lebedev, B.V.; Kiparisova, E.G., Thermodynamics of pentadecanolactone, its polymerization, and the resulting polypentadecanolactone in the 0-400 K region, Vysokomol. Soedin., Ser. A, 1983, 25, 1679-1685. [all data]

Lebedev, Evstropov, et al., 1981
Lebedev, B.V.; Evstropov, A.A.; Kiparisova, Ye.G., Thermodynamics of undecanolactone, tridecanolactone, and pentadecanolactone from 0 to 340 K, J. Chem. Thermodyn., 1981, 13, 1185. [all data]

Lebedev, Evstropov, et al., 1979
Lebedev, B.V.; Evstropov, A.A.; Shurygina, A.M., Heat capacity and thermodynamic properties of pentadecanolactone in the O-3 30 K range, Termodin. Org. Soedin. (USSR), 1979, 1979, 5. [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]

Serpinskii, Voitkevich, et al., 1954, 2
Serpinskii, V.V.; Voitkevich, S.A.; Lyuboshits, N.Y., Zh. Fiz. Khim., 1954, 28, 810. [all data]

Jones, 1960
Jones, A.H., Sublimation Pressure Data for Organic Compounds., J. Chem. Eng. Data, 1960, 5, 2, 196-200, https://doi.org/10.1021/je60006a019 . [all data]

Pitzer, Peiper, et al., 1984
Pitzer, Kenneth S.; Peiper, J. Christopher; Busey, R.H., Thermodynamic Properties of Aqueous Sodium Chloride Solutions, J. Phys. Chem. Ref. Data, 1984, 13, 1, 1, https://doi.org/10.1063/1.555709 . [all data]

Domalski, Evans, et al., 1984
Domalski, E.S.; Evans, W.H.; Hearing, E.D., J. Phys. Chem. Ref. Data, suppl. 1, 1984. [all data]


Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References