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1,3-Propanediol, 2-(hydroxymethyl)-2-methyl-

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Condensed phase thermochemistry data

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 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-744.3 ± 3.0kJ/molCcbMedard and Thomas, 1954Heat of combustion corrected for pressure; ALS
Deltafsolid-740.78kJ/molCcbMedard, 1954crystal phase; Heat of combustion corrected for pressure; ALS
Quantity Value Units Method Reference Comment
Deltacsolid-2938. ± 2.9kJ/molCcbMedard and Thomas, 1954Heat of combustion corrected for pressure; Corresponding «DELTA»fsolid = -744.3 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacsolid-2941.8kJ/molCcbMedard, 1954crystal phase; Heat of combustion corrected for pressure; Corresponding «DELTA»fsolid = -740.78 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
182.6299.15Suenaga, Matsuo, et al., 1990T = 18 to 375 K. Unsmoothed experimental datum.; DH

Phase change data

Go To: Top, Condensed phase 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:
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
Tfus473.7KN/ASuenaga, Matsuo, et al., 1990, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.1 K; TRC
Tfus470.KN/AMurrill and Breed, 1970Crystal phase 1 phase; Uncertainty assigned by TRC = 2. K; TRC
Tfus471.3KN/ADerfer, Greenlee, et al., 1949Uncertainty assigned by TRC = 0.4 K; TRC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Method Reference Comment
4.72474.4N/ASalud, López, et al., 1999AC
5.38470.N/ADomalski and Hearing, 1996AC
4.8472.4DSCGranzow, 1996AC
4.7473.7DSCSuenaga, Matsuo, et al., 1990Based on data from 353. - 483. K.; AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
65.46354.Domalski and Hearing, 1996CAL
11.44470.

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
21.240358.2crystaline, IIcrystaline, ISuenaga, Matsuo, et al., 1990DH
4.700474.crystaline, IliquidSuenaga, Matsuo, et al., 1990DH
23.174354.crystaline, IIcrystaline, IMurrill and Breed, 1970, 2DH
5.379470.crystaline, IliquidMurrill and Breed, 1970, 2DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
59.28358.2crystaline, IIcrystaline, ISuenaga, Matsuo, et al., 1990DH
9.89474.crystaline, IliquidSuenaga, Matsuo, et al., 1990DH
65.3354.crystaline, IIcrystaline, IMurrill and Breed, 1970, 2DH
11.3470.crystaline, IliquidMurrill and Breed, 1970, 2DH

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, 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: 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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Download spectrum in JCAMP-DX format.

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, Condensed phase thermochemistry data, Phase change 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

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

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Download spectrum in JCAMP-DX format.

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-1452
NIST MS number 229703

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, 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]

Medard, 1954
Medard, L., Tables thermochimiques a l'usage des techniciens des substances explosives, Mem. Artillerie Fr. Sci. Tech. Armement, 1954, 28, 415-492. [all data]

Suenaga, Matsuo, et al., 1990
Suenaga, K.; Matsuo, T.; Suga, H., Heat capacity and phase transition of trimethylolethane, Thermochim. Acta, 1990, 163, 263-270. [all data]

Suenaga, Matsuo, et al., 1990, 2
Suenaga, K.; Matsuo, T.; Suga, H., Heat Capacity and Phase transition of Trimethylolethane, Thermochim. Acta, 1990, 163, 263. [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]

Derfer, Greenlee, et al., 1949
Derfer, J.M.; Greenlee, K.W.; Boord, C.E., A New Synthesis of Monoalkylcyclobutanes: Reduction of Neopentyl Type Tribromides, J. Am. Chem. Soc., 1949, 71, 175. [all data]

Salud, López, et al., 1999
Salud, Josep; López, David O.; Barrio, Maria; Tamarit, Josep Ll., Two-component systems of isomorphous orientationally disordered crystals. Part 1 Packing of the mixed crystals, J. Mater. Chem., 1999, 9, 4, 909-916, https://doi.org/10.1039/a808258h . [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]

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]


Notes

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