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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
Deltafsolid-220.0 ± 0.66kcal/molCcbMedard and Thomas, 1954Heat of combustion corrected for pressure; ALS
Quantity Value Units Method Reference Comment
Deltacsolid-660.1 ± 0.66kcal/molCcbMedard and Thomas, 1954Heat of combustion corrected for pressure; Corresponding «DELTA»fsolid = -220.0 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
solid,1 bar47.340cal/mol*KN/AWestrum, 1959DH

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
45.029298.98Zhang and Yang, 1989T = 277 to 510 K.; DH
45.509298.15Westrum, 1959Based on data 10 to 350 K, to be reported elsewhere.; DH
60.80373.2Nitta, 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
Deltasub38.96kcal/molN/ABarone, Gatta, et al., 1990AC

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
31.4 ± 1.6403.CFont and Muntasell, 1994AC
38.5 ± 0.24437.TEBarone, Gatta, et al., 1990Based on data from 418. - 455. K.; AC
34.4 ± 0.2379. - 408.MEBradley and Cotson, 1953, 2See also Jones, 1960.; AC

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Method Reference Comment
1.70538.7N/ADomalski and Hearing, 1996AC
1.3532.3DSCGranzow, 1996AC
1.1513.2DSCBarone, Gatta, et al., 1990AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
22.8460.4Domalski and Hearing, 1996CAL
3.15538.7

Enthalpy of phase transition

DeltaHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
9.6797458.3crystaline, IIcrystaline, IBarone and Della Gatta, 1990DH
1.099513.2crystaline, IliquidBarone and Della Gatta, 1990DH
9.8901461.60crystaline, IIcrystaline, IZhang and Yang, 1989DH
9.8026455.crystaline, IIcrystaline, IMurrill and Breed, 1970, 2DH
1.212531.crystaline, IliquidMurrill and Breed, 1970, 2DH
8.4001457.crystaline, IIcrystaline, IHoshino and Nagasaki, 1950DH
1.300529.crystaline, IliquidHoshino and Nagasaki, 1950DH
10.500460.4crystaline, IIcrystaline, INitta, Seki, et al., 1950DH
1.699538.7crystaline, IliquidNitta, Seki, et al., 1950DH

Entropy of phase transition

DeltaStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
21.1458.3crystaline, IIcrystaline, IBarone and Della Gatta, 1990DH
2.2513.2crystaline, IliquidBarone and Della Gatta, 1990DH
21.42461.60crystaline, IIcrystaline, IZhang and Yang, 1989DH
21.5455.crystaline, IIcrystaline, IMurrill and Breed, 1970, 2DH
2.3531.crystaline, IliquidMurrill and Breed, 1970, 2DH
18.4457.crystaline, IIcrystaline, IHoshino and Nagasaki, 1950DH
2.457529.crystaline, IliquidHoshino and Nagasaki, 1950DH
22.8460.4crystaline, IIcrystaline, INitta, Seki, et al., 1950DH
3.15538.7crystaline, 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

Go To: Top, Condensed phase thermochemistry data, 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: 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
Deltar-3.70kcal/molCmTsvetkov, Sopin, et al., 1986liquid phase

IR Spectrum

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Data compiled by: Coblentz Society, Inc.


Mass spectrum (electron ionization)

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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-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