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3-Hydroxy-3-methyl-2-butanone

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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
Tboil413.2KN/AWeast and Grasselli, 1989BS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
41.1332.AStephenson and Malanowski, 1987Based on data from 317. - 419. K. See also Dykyj, 1972 and Conner, Elving, et al., 1950.; 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
317.9 - 418.94.538961703.241-40.646Conner, Elving, et al., 1950Coefficents calculated by NIST from author's data.

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


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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Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
NIST MS number 1208

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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 L120.691.Bogoslovsky, Anvaer, et al., 1978Celite 545
PackedApiezon L160.700.Bogoslovsky, Anvaer, et al., 1978Celite 545

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-1778.Yu, Wu, et al., 199460. m/0.25 mm/1.0 «mu»m, He, 40. C @ 5. min, 2. K/min, 260. C @ 60. min
CapillaryDB-1779.Yu, Wu, et al., 199460. m/0.25 mm/1.0 «mu»m, He, 40. C @ 5. min, 2. K/min, 260. C @ 60. min

Normal alkane RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-FFAP1262.Wanakhachornkrai and Lertsiri, 999925. m/0.32 mm/0.50 «mu»m, Helium, 15. K/min; Tstart: 45. C; Tend: 220. C
CapillaryDB-Wax1243.Tanaka, Yamauchi, et al., 200330. m/0.25 mm/0.25 «mu»m, 30. C @ 1. min, 4. K/min; Tend: 250. C
CapillaryDB-Wax1247.Tanaka, Yamauchi, et al., 200330. m/0.25 mm/0.25 «mu»m, 30. C @ 1. min, 4. K/min; Tend: 250. C
CapillaryHP-FFAP1262.Wanakhachornkrai and Lertsiri, 200325. m/0.32 mm/0.5 «mu»m, He, 15. K/min; Tstart: 45. C; Tend: 220. C

Normal alkane RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryStabilwax1246.Chinnici, Guerrero, et al., 200930. m/0.25 mm/0.25 «mu»m, Helium; Program: 35 0C 3 0C/min -> 100 0C 5 0C/min -> 240 0C (10 min)
CapillaryDB-Wax1238.Kim. J.H., Ahn, et al., 200460. m/0.25 mm/0.25 «mu»m, Helium; Program: 60 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 200 0C

References

Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, Notes

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

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]

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]

Dykyj, 1972
Dykyj, J., Petrochemia, 1972, 12, 1, 13. [all data]

Conner, Elving, et al., 1950
Conner, Albert Z.; Elving, Philip J.; Benischeck, Joseph; Tobias, Philip E.; Steingiser, Samuel, Vapor-Liquid Equilibria in Binary Systems -Water-2-Methyl-3-butyn-2-ol and Water-3-Hydroxy-3-methyl-butanone, Ind. Eng. Chem., 1950, 42, 1, 106-110, https://doi.org/10.1021/ie50481a030 . [all data]

Bogoslovsky, Anvaer, et al., 1978
Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S., Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192. [all data]

Yu, Wu, et al., 1994
Yu, T.-H.; Wu, C.-M.; Ho, C.-T., Meat-like flavor generated from thermal interactions of glucose and alliin or deoxyalliin, J. Agric. Food Chem., 1994, 42, 4, 1005-1009, https://doi.org/10.1021/jf00040a032 . [all data]

Wanakhachornkrai and Lertsiri, 9999
Wanakhachornkrai, P.; Lertsiri, S., Comparison of determination method for volatile compounds in Thai soy sauce, Analytical, Nutritional and Clinical Methods, 9999, 1-11. [all data]

Tanaka, Yamauchi, et al., 2003
Tanaka, T.; Yamauchi, T.; Katsumata, R.; Kiuchi, K., Comparison of volatile components in commercial Itohiki-Natto by solid phase microextraction and gas chromatography, Nippon Shokuhin Kagaku Kogaku Kaishi, 2003, 50, 6, 278-285, https://doi.org/10.3136/nskkk.50.278 . [all data]

Wanakhachornkrai and Lertsiri, 2003
Wanakhachornkrai, P.; Lertsiri, S., Analytical, nutritional, and clinical methods. Comparison of determination method for volatile compounds in Thai soy sauce, Food Chem., 2003, 83, 4, 619-629, https://doi.org/10.1016/S0308-8146(03)00256-5 . [all data]

Chinnici, Guerrero, et al., 2009
Chinnici, F.; Guerrero, E.D.; Sonni, F.; Natali, N.; Marin, R.N.; Riponi, C., Gas chromatography - mass spectrometry (GC-MS) characterization of volatile compounds in quality vinegars with protected Europian geographical indication, J. Agric. Food Chem., 2009, 57, 11, 4784-4792, https://doi.org/10.1021/jf804005w . [all data]

Kim. J.H., Ahn, et al., 2004
Kim. J.H.; Ahn, H.J.; Yook, H.S.; Kim, K.S.; Rhee, M.S.; Ryu, G.H.; Byun, M.W., Color, flavor, and sensory characteristics of gamma-irradiated salted and fermented anchovy sauce, Radiation Phys. Chem., 2004, 69, 2, 179-187, https://doi.org/10.1016/S0969-806X(03)00400-6 . [all data]


Notes

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