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4-Heptanol, 2,6-dimethyl-

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Phase change data

Go To: Top, IR Spectrum, 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil450. ± 5.KAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Deltavap65.2 ± 0.3kJ/molGSRoganov, Pisarev, et al., 2005Based on data from 278. - 321. K.; AC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
52.8389.A,MMStephenson and Malanowski, 1987Based on data from 374. - 452. K. See also Stross, Gable, et al., 1947.; AC
54.5378.N/AWilhoit and Zwolinski, 1973Based on data from 363. - 453. K.; AC

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

Go To: Top, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Gas Phase Spectrum

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IR spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

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, Phase change data, IR Spectrum, 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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Mass 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 Finnish Institute for Verification of the Chemical Weapons Convention -VERIFIN
NIST MS number 298457

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

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

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

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Column type Active phase I Reference Comment
CapillaryDB-Wax1509.Osorio, Alarcon, et al., 200630. m/0.25 mm/0.25 «mu»m, He, 50. C @ 4. min, 4. K/min, 220. C @ 20. min

Normal alkane RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryAT-Wax1458.Kiss, Csoka, et al., 201160. m/0.25 mm/0.25 «mu»m, Helium, 4. K/min; Tstart: 60. C; Tend: 280. C
CapillaryCP-Wax 52CB1506.Hwan and Chou, 199950. m/0.32 mm/0.22 «mu»m, H2, 60. C @ 4. min, 2. K/min, 190. C @ 21. min

Normal alkane RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillarySupelcowax 101480.Soria, Martinez-Castro, et al., 200850. m/0.25 mm/0.25 «mu»m, Helium; Program: 45 0C (15 min) 3 0C/min -> 75 0C 5 0C/min -> 180 0C (10 min)

References

Go To: Top, 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.

Roganov, Pisarev, et al., 2005
Roganov, Gennady N.; Pisarev, Pavel N.; Emel'yanenko, Vladimir N.; Verevkin, Sergey P., Measurement and Prediction of Thermochemical Properties. Improved Benson-Type Increments for the Estimation of Enthalpies of Vaporization and Standard Enthalpies of Formation of Aliphatic Alcohols, J. Chem. Eng. Data, 2005, 50, 4, 1114-1124, https://doi.org/10.1021/je049561m . [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]

Stross, Gable, et al., 1947
Stross, F.H.; Gable, C.M.; Rounds, G.C., The Vapor Pressures and Some Other Properties of Di-i-butyl Ketone and Di-i-butylcarbinol, J. Am. Chem. Soc., 1947, 69, 7, 1629-1630, https://doi.org/10.1021/ja01199a017 . [all data]

Wilhoit and Zwolinski, 1973
Wilhoit, R.C.; Zwolinski, B.J., Physical and thermodynamic properties of aliphatic alcohols, J. Phys. Chem. Ref. Data Suppl., 1973, 1, 2, 1. [all data]

Osorio, Alarcon, et al., 2006
Osorio, C.; Alarcon, M.; Moreno, C.; Bonilla, A.; Barrios, J.; Garzon, C.; Duque, C., Characterization of Odor-Active Volatiles in Champa ( Campomanesia lineatifolia R. P.), J. Agric. Food Chem., 2006, 54, 2, 509-516, https://doi.org/10.1021/jf052098c . [all data]

Kiss, Csoka, et al., 2011
Kiss, M.; Csoka, M.; Gyorfi, J.; Korany, K., Comparison of the fragrance constituents of Tuber aestivium and Tuber Brumale gathered in Hungary, J. Appl. Botany Food Quality, 2011, 84, 102-110. [all data]

Hwan and Chou, 1999
Hwan, C.-H.; Chou, C.-C., Volatile components of the Chinese fermented soya bean curd as affected by the addition of ethanol in ageing solution, J. Sci. Food Agric., 1999, 79, 2, 243-248, https://doi.org/10.1002/(SICI)1097-0010(199902)79:2<243::AID-JSFA179>3.0.CO;2-I . [all data]

Soria, Martinez-Castro, et al., 2008
Soria, A.C.; Martinez-Castro, I.; Sanz, J., Some aspects of dynamic headspace analysis of volatile components in honey, Foog Res. International, 2008, 41, 8, 838-848, https://doi.org/10.1016/j.foodres.2008.07.010 . [all data]


Notes

Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References