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Phenol, 4-propyl-

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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
Tboil505. ± 4.KAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus295. ± 2.KAVGN/AAverage of 7 values; Individual data points

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
56.7398.AStephenson and Malanowski, 1987Based on data from 383. - 508. K.; AC
61.3348.N/AStage, Müller, et al., 1953Based on data from 347. - 517. K.; AC
59.5373.N/AStage, Müller, et al., 1953Based on data from 347. - 517. K.; AC
58.4398.N/AStage, Müller, et al., 1953Based on data from 347. - 517. K.; AC
56.2423.N/AStage, Müller, et al., 1953Based on data from 347. - 517. K.; AC
51.5473.N/AStage, Müller, et al., 1953Based on data from 347. - 517. 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 NIST Mass Spectrometry Data Center
State gas
Instrument HP-GC/MS/IRD

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 Japan AIST/NIMC Database- Spectrum MS-NW-1571
NIST MS number 229180

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

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryPS-255150.1235.Engewald, Billing, et al., 198850. m/0.30 mm/0.25 «mu»m

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

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Column type Active phase I Reference Comment
CapillaryOV-11231.3Gautzsch and Zinn, 19968. K/min; Tstart: 35. C; Tend: 300. C

Van Den Dool and Kratz RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryHP-5MS1257.5Andriamaharavo, 201430. m/0.25 mm/0.25 «mu»m, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)
CapillaryVF-5MS1259.9Mjøs, Meier, et al., 200650. m/0.25 mm/0.25 «mu»m, He; Program: 60C(2min) => 30C/min => 100C => 1C/min =>
CapillaryVF-5MS1260.4Mjøs, Meier, et al., 200650. m/0.25 mm/0.25 «mu»m, He; Program: 60C(2min) => 30C/min => 100C => 2C/min =>
CapillaryVF-5MS1261.7Mjøs, Meier, et al., 200650. m/0.25 mm/0.25 «mu»m, He; Program: 60C(2min) => 30C/min => 100C => 4C/min =>

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-51285.Czerny, Brueckner, et al., 201130. m/0.32 mm/0.25 «mu»m, Helium, 40. C @ 2. min, 8. K/min, 250. C @ 5. min
CapillaryZB-51262.Harrison and Priest, 200930. m/0.25 mm/0.25 «mu»m, Helium, 40. C @ 1. min, 6. K/min, 280. C @ 9. min

Normal alkane RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-FFAP2250.Czerny, Brueckner, et al., 201130. m/0.32 mm/0.25 «mu»m, Helium, 40. C @ 2. min, 8. K/min, 230. C @ 5. min
CapillaryEC-10002275.Bendall, 200130. m/0.25 mm/0.25 «mu»m, He, 35. C @ 5. min, 5. K/min, 230. C @ 15. min

Normal alkane RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillarySOLGel-Wax2234.Shu and Shen, 200830. m/0.53 mm/0.50 «mu»m, Helium; Program: 40 0C 7 0C/min -> 180 0C 10 0C/min -> 240 0C (10 min)
CapillarySOLGel-Wax2238.Shu and Shen, 200830. m/0.53 mm/0.50 «mu»m, Helium; Program: not specified

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.

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]

Stage, Müller, et al., 1953
Stage, H.; Müller, E.; Faldix, P., Erdol u Kohle, 1953, 6, 375. [all data]

Engewald, Billing, et al., 1988
Engewald, W.; Billing, U.; Topalova, I.; Petsev, N., Structure-retention correlations of alkylphenols in gas-liquid and gas-solid chromatography, J. Chromatogr., 1988, 446, 71-77, https://doi.org/10.1016/S0021-9673(00)94419-4 . [all data]

Gautzsch and Zinn, 1996
Gautzsch, R.; Zinn, P., Use of incremental models to estimate the retention indexes of aromatic compounds, Chromatographia, 1996, 43, 3/4, 163-176, https://doi.org/10.1007/BF02292946 . [all data]

Andriamaharavo, 2014
Andriamaharavo, N.R., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]

Mjøs, Meier, et al., 2006
Mjøs, S.A.; Meier, S.; Boitsov, S., Alkylphenol retention indices, J. Chromatogr. A, 2006, 1123, 1, 98-105, https://doi.org/10.1016/j.chroma.2006.05.002 . [all data]

Czerny, Brueckner, et al., 2011
Czerny, M.; Brueckner, R.; Kirchoff, E.; Schmitt, R.; Buettner, A., The influence of molecular structure on odor qualities and odor detection thresholds of volatile alkylated phenols, Chem. Senses, 2011, 1-15, retrieved from http://chemie.oxfordjournals.org. [all data]

Harrison and Priest, 2009
Harrison, B.M.; Priest, F.G., Composition of peaks used in the preparation of malt for Scotch Whisky production - influence of geographical source and extraction depth, J. Agric. Food Chem., 2009, 57, 6, 2385-2391, https://doi.org/10.1021/jf803556y . [all data]

Bendall, 2001
Bendall, J.G., Aroma compounds of fresh milk from New Zealand cows fed different diets, J. Agric. Food Chem., 2001, 49, 10, 4825-4832, https://doi.org/10.1021/jf010334n . [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

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