Pentaerythritol

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Condensed phase thermochemistry data

Go To: Top, Phase change data, Reaction thermochemistry 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Δfsolid-920.5 ± 2.8kJ/molCcbMedard and Thomas, 1954Heat of combustion corrected for pressure; ALS
Quantity Value Units Method Reference Comment
Δcsolid-2762. ± 2.8kJ/molCcbMedard and Thomas, 1954Heat of combustion corrected for pressure; Corresponding Δfsolid = -920.5 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
solid,1 bar198.07J/mol*KN/AWestrum, 1959DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
188.40298.98Zhang and Yang, 1989T = 277 to 510 K.; DH
190.41298.15Westrum, 1959Based on data 10 to 350 K, to be reported elsewhere.; DH
254.4373.2Nitta, Seki, et al., 1950T = 373 to 567 K.; DH

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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tfus531.20KN/ABarone, DellaGatta, et al., 1990Crystal phase 1 phase; Uncertainty assigned by TRC = 1.2 K; TRC
Tfus531.0KN/AMurrill and Breed, 1970Crystal phase 1 phase; Uncertainty assigned by TRC = 3. K; TRC
Tfus529.KN/ABradley and Cotson, 1953Uncertainty assigned by TRC = 2. K; TRC
Tfus538.7KN/ANitta, Seki, et al., 1950, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.1 K; TRC
Quantity Value Units Method Reference Comment
Δsub163.0kJ/molN/ABarone, Gatta, et al., 1990AC

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Method Reference Comment
131.3 ± 6.6403.CFont and Muntasell, 1994AC
161. ± 1.0437.TEBarone, Gatta, et al., 1990Based on data from 418. to 455. K.; AC
143.9 ± 0.8379. to 408.MEBradley and Cotson, 1953, 2See also Jones, 1960.; AC

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Method Reference Comment
7.11538.7N/ADomalski and Hearing, 1996AC
5.3532.3DSCGranzow, 1996AC
4.6513.2DSCBarone, Gatta, et al., 1990AC

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
95.4460.4Domalski and Hearing, 1996CAL
13.2538.7

Enthalpy of phase transition

ΔHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
40.500458.3crystaline, IIcrystaline, IBarone and Della Gatta, 1990DH
4.600513.2crystaline, IliquidBarone and Della Gatta, 1990DH
41.380461.60crystaline, IIcrystaline, IZhang and Yang, 1989DH
41.014455.crystaline, IIcrystaline, IMurrill and Breed, 1970, 2DH
5.070531.crystaline, IliquidMurrill and Breed, 1970, 2DH
35.146457.crystaline, IIcrystaline, IHoshino and Nagasaki, 1950DH
5.439529.crystaline, IliquidHoshino and Nagasaki, 1950DH
43.930460.4crystaline, IIcrystaline, INitta, Seki, et al., 1950DH
7.110538.7crystaline, IliquidNitta, Seki, et al., 1950DH

Entropy of phase transition

ΔStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
88.4458.3crystaline, IIcrystaline, IBarone and Della Gatta, 1990DH
9.0513.2crystaline, IliquidBarone and Della Gatta, 1990DH
89.64461.60crystaline, IIcrystaline, IZhang and Yang, 1989DH
90.0455.crystaline, IIcrystaline, IMurrill and Breed, 1970, 2DH
9.6531.crystaline, IliquidMurrill and Breed, 1970, 2DH
76.9457.crystaline, IIcrystaline, IHoshino and Nagasaki, 1950DH
10.28529.crystaline, IliquidHoshino and Nagasaki, 1950DH
95.4460.4crystaline, IIcrystaline, INitta, Seki, et al., 1950DH
13.2538.7crystaline, IliquidNitta, Seki, et al., 1950DH

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:


Reaction thermochemistry 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

Pentaerythritol + Nitric acid = C5H11NO6 + Water

By formula: C5H12O4 + HNO3 = C5H11NO6 + H2O

Quantity Value Units Method Reference Comment
Δr-15.5kJ/molCmTsvetkov, Sopin, et al., 1986liquid phase

IR Spectrum

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Data compiled by: Coblentz Society, Inc.


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

View image of digitized spectrum (can be printed in landscape orientation).

Due to licensing restrictions, this spectrum cannot be downloaded.

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-2140
NIST MS number 228685

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, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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.

Medard and Thomas, 1954
Medard, L.; Thomas, M., Chaleurs de combustion de vingt-quatre substances explosives ou apparentees a des explosifs, Mem. Poudres, 1954, 36, 97-127. [all data]

Westrum, 1959
Westrum, E.F., Jr., Ordering transitions in symmetrical molecules, Symp. Thermodynam. Fritens-Wattens, Tirol Austria, 1959, No.36, 11p. [all data]

Zhang and Yang, 1989
Zhang, Z.Y.; Yang, M.L., Heat capacities and phase transitions of 1,1,1-trihydroxymethylpropane and pentaerythritol over the superambient temperature range, Themochim. Acta, 1989, 156, 157-161. [all data]

Nitta, Seki, et al., 1950
Nitta, I.; Seki, S.; Momotani, M., On the phase transition in pentaerythritol (I), Proc. Japan Acad. 26, 1950, No.9, 25-29. [all data]

Barone, DellaGatta, et al., 1990
Barone, G.; DellaGatta, G.; Ferro, D.; Piacente, V., Enthalpies and entropies of sublimation, vaporization and fusion of nine polyhydric alcohols, J. Chem. Soc., Faraday Trans., 1990, 86, 75. [all data]

Murrill and Breed, 1970
Murrill, E.; Breed, L.W., Solid-solid phase transitions determined by differential scanning calorime- try. Part I. Tetrahedral Substances., Thermochim. Acta, 1970, 1, 239. [all data]

Bradley and Cotson, 1953
Bradley, R.S.; Cotson, S., The vapour pressure and lattic energy of hydrogen-bonded crystals: II alpha- and beta-anhydrous oxalic acid and tetragonal pentaerythritol, J. Chem. Soc., 1953, 1953, 1684-8. [all data]

Nitta, Seki, et al., 1950, 2
Nitta, I.; Seki, S.; Momotani, M., The Phase Transition in Pentaerythritol I., Proc. Jpn. Acad., 1950, 26, 9, 25-9. [all data]

Barone, Gatta, et al., 1990
Barone, Guido; Gatta, Giuseppe Della; Ferro, Daniela; Piacente, Vincenzo, Enthalpies and entropies of sublimation, vaporization and fusion of nine polyhydric alcohols, Faraday Trans., 1990, 86, 1, 75, https://doi.org/10.1039/ft9908600075 . [all data]

Font and Muntasell, 1994
Font, J.; Muntasell, J., Sublimation measurements on plastic crystals. Influence of the hydroxyl group on the sublimation enthalpy and vapour pressure, Materials Research Bulletin, 1994, 29, 10, 1091-1100, https://doi.org/10.1016/0025-5408(94)90092-2 . [all data]

Bradley and Cotson, 1953, 2
Bradley, R.S.; Cotson, S., 347. The vapour pressure and lattice energy of hydrogen-bonded crystals. Part II. ?- and ?-Anhydrous oxalic acid and tetragonal pentaerythritol, J. Chem. Soc., 1953, 1684, https://doi.org/10.1039/jr9530001684 . [all data]

Jones, 1960
Jones, A.H., Sublimation Pressure Data for Organic Compounds., J. Chem. Eng. Data, 1960, 5, 2, 196-200, https://doi.org/10.1021/je60006a019 . [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

Granzow, 1996
Granzow, Bettina, Hydrogen bonding and phase transitions of a group of alcohols derived from 2,2-dimethylpropane, Journal of Molecular Structure, 1996, 381, 1-3, 127-131, https://doi.org/10.1016/0022-2860(96)09232-0 . [all data]

Barone and Della Gatta, 1990
Barone, G.; Della Gatta, G., Ferro D., and Piacente, V., Enthalpies and entropies of sublimation, vaporization and fusion of nine polyhydric alcohols, J. Chem. Soc., Faraday Trans., 1990, 86(1), 75-79. [all data]

Murrill and Breed, 1970, 2
Murrill, E.; Breed, L., Solid-solid phase transitions determined by differential scanning calorimetry, Thermochim. Acta, 1970, 1, 239-246. [all data]

Hoshino and Nagasaki, 1950
Hoshino, S.; Nagasaki, S., On the phase transition of pentaerythritol, Bull. Chem. Soc. Japan, 1950, 23, 80-83. [all data]

Tsvetkov, Sopin, et al., 1986
Tsvetkov, V.G.; Sopin, V.P.; Tsvetkova, L.Ya.; Marchenko, G.N., Enthalpy of reaction of nitric acid with some organic compounds, J. Gen. Chem. USSR, 1986, 56, 471-474. [all data]


Notes

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