4H-1-Benzopyran-4-one, 2,3-dihydro-

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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
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Δsub84.6 ± 1.3kJ/molCMatos, Sousa, et al., 2009AC

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
400.20.017Weast and Grasselli, 1989BS

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Method Reference Comment
16.7312.3DSCMatos, Sousa, et al., 2009AC

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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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-IW- 684
NIST MS number 233407

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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

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Column type Active phase Temperature (C) I Reference Comment
PackedApiezon L170.1390.Arruda, Heinzen, et al., 1993N2, Chromosorb W; Column length: 1.8 m

Normal alkane RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillarySOLGel-Wax2442.Shu and Shen, 200830. m/0.53 mm/0.50 μm, Helium; Program: 40 0C 7 0C/min -> 180 0C 10 0C/min -> 240 0C (10 min)
CapillarySOLGel-Wax2450.Shu and Shen, 200830. m/0.53 mm/0.50 μm, Helium; Program: not specified

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Matos, Sousa, et al., 2009
Matos, M. Agostinha R.; Sousa, Clara C.S.; Morais, Victor M.F., Experimental and computational thermochemistry of the isomers: Chromanone, 3-isochromanone, and dihydrocoumarin, The Journal of Chemical Thermodynamics, 2009, 41, 3, 308-314, https://doi.org/10.1016/j.jct.2008.08.012 . [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Arruda, Heinzen, et al., 1993
Arruda, A.C.; Heinzen, V.E.F.; Yunes, R.A., Relationship between Kovats retention indices and molecular connectivity indices of tetralones, coumarins and structurally related compounds, J. Chromatogr., 1993, 630, 1-2, 251-256, https://doi.org/10.1016/0021-9673(93)80461-G . [all data]

Shu and Shen, 2008
Shu, N.; Shen, H., Aroma-impact compounds in Lysimachia foenum-graecum extracts, Flavour Fragr. J., 2008, 24, 1, 1-6, https://doi.org/10.1002/ffj.1908 . [all data]


Notes

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