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Phenol, 2-methyl-5-(1-methylethyl)-

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas-194.2kJ/molCcbBertholon, Giray, et al., 1971see Lamartine and Perrin, 1969

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafliquid-270.kJ/molCcbBertholon, Giray, et al., 1971see Lamartine and Perrin, 1969
Quantity Value Units Method Reference Comment
Deltacliquid-5665.kJ/molCcbBertholon, Giray, et al., 1971see Lamartine and Perrin, 1969; Corresponding «DELTA»fliquid = -270. kJ/mol (simple calculation by NIST; no Washburn corrections)
Deltacliquid-5650. ± 10.kJ/molCcbLamartine and Perrin, 1969Corresponding «DELTA»fliquid = -290. kJ/mol (simple calculation by NIST; no Washburn corrections)

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Tboil510. ± 1.KAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus276.65KN/AKarr, 1957Uncertainty assigned by TRC = 2. K; TRC
Tfus276.65KN/ACarpenter and Easter, 1955Uncertainty assigned by TRC = 2. K; TRC
Tfus273.65KN/AGardner, Procofief, et al., 1935Uncertainty assigned by TRC = 3. K; TRC
Quantity Value Units Method Reference Comment
Deltavap68.2kJ/molGCvan Roon, Parsons, et al., 2002AC
Deltavap77.74kJ/molCBertholon, Giray, et al., 1971see Lamartine and Perrin, 1969; ALS
Deltavap75.8kJ/molN/ABertholon, Giray, et al., 1971DRB
Deltavap59. ± 3.kJ/molVLamartine and Perrin, 1969ALS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
56.5358.AStephenson and Malanowski, 1987Based on data from 343. - 510. K. See also Stull, 1947.; AC
59.4402.EBLamartine and Perrin, 1969, 2Based on data from 387. - 512. K.; 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
343. - 510.5.341792549.857-32.705Stull, 1947Coefficents calculated by NIST from author's data.

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:


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, 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- 815
NIST MS number 229581

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.


References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Notes

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

Bertholon, Giray, et al., 1971
Bertholon, G.; Giray, M.; Perrin, R.; Vincent-Falquet-Berny, M.F., No. 532. - Etude physicochimique des phenols. OX. - Ethanlpies de combustion et energies de resonance des alcoyl et aryphenols, Bull. Soc. Chim. France, 1971, 3180-3187. [all data]

Lamartine and Perrin, 1969
Lamartine, R.; Perrin, R., Etude physiocochimique des phenols. VIII. Caracterisation physicochimique des methyl-2 isopropylphenols ou carvacrols, Bull. Soc. Chim. France, 1969, 10, 443-445. [all data]

Karr, 1957
Karr, C., , U. S. Bur. Mines, Inform. Circ. IC 7802, 1957. [all data]

Carpenter and Easter, 1955
Carpenter; Easter, J. Org. Chem., 1955, 20, 401. [all data]

Gardner, Procofief, et al., 1935
Gardner; Procofief; Jusov; Casselli, C. R. Hebd. Seances Acad. Sci., 1935, 200, 1114. [all data]

van Roon, Parsons, et al., 2002
van Roon, André; Parsons, John R.; Govers, Harrie A.J., Gas chromatographic determination of vapour pressure and related thermodynamic properties of monoterpenes and biogenically related compounds, Journal of Chromatography A, 2002, 955, 1, 105-115, https://doi.org/10.1016/S0021-9673(02)00200-5 . [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]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Lamartine and Perrin, 1969, 2
Lamartine, R.; Perrin, R., Bull. Soc. Chim. Fr., 1969, 2, 443. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References