2H-Pyran-2-one, 6-hexyltetrahydro-


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: Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
liquid88.31cal/mol*KN/ALebedev, Yevstropov, et al., 1981 
liquid88.31cal/mol*KN/ALebedev, Yevstropov, et al., 1981, 2 

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
81.91298.15Lebedev, Yevstropov, et al., 1981T = 13.8 to 388 K. 0.92 mole % impurity in sample.
81.91298.15Lebedev, Yevstropov, et al., 1981, 2T = 13.8 to 388 K. 0.92 mole % impurity in sample.

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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
426.70.014Aldrich Chemical Company Inc., 1990BS

Enthalpy of phase transition

ΔHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.8031250.2crystaline, IIcrystaline, ILebedev, Yevstropov, et al., 1981DH
3.0139275.33crystaline, IliquidLebedev, Yevstropov, et al., 1981DH
0.8031250.2crystaline, IIcrystaline, ILebedev, Yevstropov, et al., 1981, 2DH
3.0139275.33crystaline, IliquidLebedev, Yevstropov, et al., 1981, 2DH

Entropy of phase transition

ΔStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
3.20250.2crystaline, IIcrystaline, ILebedev, Yevstropov, et al., 1981DH
10.9275.33crystaline, IliquidLebedev, Yevstropov, et al., 1981DH
3.20250.2crystaline, IIcrystaline, ILebedev, Yevstropov, et al., 1981, 2DH
10.9275.33crystaline, IliquidLebedev, Yevstropov, et al., 1981, 2DH

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)

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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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Mass spectrum
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Additional Data

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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-3938
NIST MS number 232511

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.


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

Van Den Dool and Kratz RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryFFAP2264.Lozano P.R., Miracle E.R., et al., 200730. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 10. K/min, 225. C @ 25. min
CapillaryDB-Wax2345.Mahajan, Goddik, et al., 200430. m/0.25 mm/0.5 μm, He, 40. C @ 2. min, 5. K/min, 230. C @ 10. min
CapillaryDB-Wax2356.Karagül-Yüceer, Cadwallader, et al., 200230. m/0.25 mm/0.25 μm, 35. C @ 5. min, 10. K/min, 200. C @ 30. min
CapillaryDB-Wax2345.Shimoda, Yoshimura, et al., 200160. m/0.25 mm/0.25 μm, He, 2. K/min, 230. C @ 60. min; Tstart: 50. C
CapillaryDB-Wax2329.Shiratsuchi, Shimoda, et al., 199460. m/0.25 mm/0.25 μm, He, 2. K/min, 230. C @ 60. min; Tstart: 50. C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-11535.Peppard, 199230. m/0.25 mm/1.0 μm, He, 3. K/min, 250. C @ 30. min; Tstart: 40. C
CapillaryDB-11539.Peppard, 199230. m/0.25 mm/1.0 μm, He, 3. K/min, 250. C @ 30. min; Tstart: 40. C

Normal alkane RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillarySE-301579.Vinogradov, 2004Program: not specified

Normal alkane RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillarySupelcowax2336.Näf and Velluz, 1998He, 5. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 240. C

References

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

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]

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]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Lozano P.R., Miracle E.R., et al., 2007
Lozano P.R.; Miracle E.R.; Krause A.J.; Drake M.; Cadwallader K.R., Effect of cold storage and packaging material on the major aroma components of sweet cream butter, J. Agric. Food Chem., 2007, 55, 19, 7840-7846, https://doi.org/10.1021/jf071075q . [all data]

Mahajan, Goddik, et al., 2004
Mahajan, S.S.; Goddik, L.; Qian, M.C., Aroma Compounds in Sweet Whey Powder, J. Dairy Sci., 2004, 87, 12, 4057-4063, https://doi.org/10.3168/jds.S0022-0302(04)73547-X . [all data]

Karagül-Yüceer, Cadwallader, et al., 2002
Karagül-Yüceer, Y.; Cadwallader, K.R.; Drake, M.A., Volatile flavor components of stored nonfat dry milk, J. Agric. Food Chem., 2002, 50, 2, 305-312, https://doi.org/10.1021/jf010648a . [all data]

Shimoda, Yoshimura, et al., 2001
Shimoda, M.; Yoshimura, Y.; Yoshimura, T.; Noda, K.; Osajima, Y., Volatile flavor compounds of sweetened condensed milk, J. Food Sci., 2001, 66, 6, 804-807, https://doi.org/10.1111/j.1365-2621.2001.tb15176.x . [all data]

Shiratsuchi, Shimoda, et al., 1994
Shiratsuchi, H.; Shimoda, M.; Imayoshi, K.; Noda, K.; Osajima, Y., Volatile flavor compounds in spray-dried skim milk powder, J. Agric. Food Chem., 1994, 42, 4, 984-988, https://doi.org/10.1021/jf00040a028 . [all data]

Peppard, 1992
Peppard, T.L., Volatile flavor constituents of Monstera deliciosa, J. Agric. Food Chem., 1992, 40, 2, 257-262, https://doi.org/10.1021/jf00014a018 . [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Näf and Velluz, 1998
Näf, R.; Velluz, A., Phenols and lactones in Italo-Mitcham peppermint oil Mentha × piperita L., Flavour Fragr. J., 1998, 13, 3, 203-208, https://doi.org/10.1002/(SICI)1099-1026(199805/06)13:3<203::AID-FFJ725>3.0.CO;2-0 . [all data]


Notes

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