Neopentyl glycol

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Condensed phase 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 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-551.0 ± 4.2kJ/molCcbGardner and Hussain, 1972ALS
Quantity Value Units Method Reference Comment
Δcsolid-3131.3 ± 4.3kJ/molCcbGardner and Hussain, 1972Corresponding Δfsolid = -551.24 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
183.18298.15Zhang, Zou, et al., 1988T = 270 to 440 K. Cp(c) = 176.017 + 14.708x + 6.114x2 + 6.1483 - 9.805x4 [x = (T-290)/20] (270 to 310 K) J/mol*K.; DH
183.18298.15Zhang, Zou, et al., 1988T = 270 to 440 K.; DH

Phase change data

Go To: Top, 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:
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
Tboil475.65KN/ASlobodin, Grigor'eva, et al., 1953Uncertainty assigned by TRC = 4. K; TRC
Tboil473.KN/AShortridge, Craig, et al., 1948Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Tfus400.5KN/AGardner and Hussain, 1972, 2Uncertainty assigned by TRC = 1.5 K; TRC
Tfus398.7KN/AMurrill and Breed, 1970Crystal phase 1 phase; Uncertainty assigned by TRC = 2. K; TRC
Tfus400.KN/AJoshi and Bhide, 1960Uncertainty assigned by TRC = 3. K; TRC
Tfus403.KN/AAnonymous, 1957Uncertainty assigned by TRC = 1.5 K; TRC
Tfus403.KN/AShortridge, Craig, et al., 1948Uncertainty assigned by TRC = 3. K; TRC
Quantity Value Units Method Reference Comment
Ttriple403.3KN/AZhang, Zou, et al., 1988, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.1 K; TRC

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
79.4415.AStephenson and Malanowski, 1987Based on data from 400. to 480. K.; AC

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Method Reference Comment
4.55401.2DSCSingh and Murthy, 2009AC
7.52402.4ACTong, Tan, et al., 2007Based on data from 78. to 410. K.; AC
4.23401.6DSCDivi, Chellappa, et al., 2006AC
4.34402.8DSCSalud, López, et al., 1999AC
4.3402.5DSCGranzow, 1996AC
4.6403.2N/AFrank, Krzemicki, et al., 1973See also López, Van Braak, et al., 1994.; AC

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
43.78315.2Frank, Krzemicki, et al., 1973CAL
11.41403.2

Enthalpy of phase transition

ΔHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
13.639314.crystaline, IIcrystaline, IMurrill and Breed, 1970, 2DH
4.706398.crystaline, IliquidMurrill and Breed, 1970, 2DH
12.410314.8crystaline, IIcrystaline, IZhang, Zou, et al., 1988DH
4.440403.3crystaline, IliquidZhang, Zou, et al., 1988DH
12.410314.8crystaline, IIcrystaline, IZhang, Zou, et al., 1988DH
4.440403.3crystaline, IliquidZhang, Zou, et al., 1988DH

Entropy of phase transition

ΔStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
43.1314.crystaline, IIcrystaline, IMurrill and Breed, 1970, 2DH
11.7398.crystaline, IliquidMurrill and Breed, 1970, 2DH
39.4314.8crystaline, IIcrystaline, IZhang, Zou, et al., 1988DH
10.5403.3crystaline, IliquidZhang, Zou, et al., 1988DH
39.4314.8crystaline, IIcrystaline, IZhang, Zou, et al., 1988DH
10.5403.3crystaline, IliquidZhang, Zou, et al., 1988DH

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, 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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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-1684
NIST MS number 229084

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References

Go To: Top, 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.

Gardner and Hussain, 1972
Gardner, P.J.; Hussain, K.S., The standard enthalpies of formation of some aliphatic diols, J. Chem. Thermodyn., 1972, 4, 819-827. [all data]

Zhang, Zou, et al., 1988
Zhang, A.; Zou, H.; Yang, M., Heat capacity and phase transitions of 2,2-dimethyl-1,3-propanediol between 270 and 440 K, Gaodeng Xuexiao Huaxue Suebao, 1988, 9(10), 1085-1087. [all data]

Slobodin, Grigor'eva, et al., 1953
Slobodin, Ya.M.; Grigor'eva, V.I.; Shmulyakovskii, Ya.E., !,1-Dimethylcyclopropane, Zh. Obshch, Khim., 1953, 23, 1480-5. [all data]

Shortridge, Craig, et al., 1948
Shortridge, R.W.; Craig, R.A.; Greenlee, K.W.; Derfer, J.M.; Boord, C.E., The Synthesis of Some Cyclopropane and Spirane Hydrocarbons, J. Am. Chem. Soc., 1948, 70, 946. [all data]

Gardner and Hussain, 1972, 2
Gardner, P.J.; Hussain, K.S., The Standard Enthalpies of Formation of Some Aliphatic Diols, J. Chem. Thermodyn., 1972, 4, 819. [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]

Joshi and Bhide, 1960
Joshi, V.S.; Bhide, B.V., 1,3-Propanediols and Their Derivatives, J. Indian Chem. Soc., 1960, 37, 461-4. [all data]

Anonymous, 1957
Anonymous, R., , Am. Pet. Inst. Res. Proj. 6, Carnegie-Mellon Univ., 1957. [all data]

Zhang, Zou, et al., 1988, 2
Zhang, Z.-Y.; Zou, H.; Yang, M.-L., Heat capacity and phase transitions of 2,2-dimethyl-1,3-propanediol between 270 and 440 K, Gaodeng Xuexiao Huaxue Xuebao, 1988, 9, 1085. [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]

Singh and Murthy, 2009
Singh, Lokendra P.; Murthy, S.S.N., Dielectric and calorimetric investigation of an unusual two-component plastic crystal: cyclohexanol-neopentylglycol, Phys. Chem. Chem. Phys., 2009, 11, 25, 5110, https://doi.org/10.1039/b817964f . [all data]

Tong, Tan, et al., 2007
Tong, B.; Tan, Z.-C.; Lv, X.C.; Sun, L.X.; Xu, F.; Shi, Q.; Li, Y.S., Low-temperature heat capacities and thermodynamic properties of 2,2-dimethyl-1,3-propanediol, J Therm Anal Calorim, 2007, 90, 1, 217-221, https://doi.org/10.1007/s10973-006-7672-5 . [all data]

Divi, Chellappa, et al., 2006
Divi, Suresh; Chellappa, Raja; Chandra, Dhanesh, Heat capacity measurement of organic thermal energy storage materials, The Journal of Chemical Thermodynamics, 2006, 38, 11, 1312-1326, https://doi.org/10.1016/j.jct.2006.02.005 . [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]

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]

Frank, Krzemicki, et al., 1973
Frank, H.P.; Krzemicki, K.; Voellenkle, H., Phase transition in neopentyl glycol, Chem. Ztg., 1973, 97, 4, 206. [all data]

López, Van Braak, et al., 1994
López, D.O.; Van Braak, J.; Tamarit, J.L.L.; Oonk, H.A.J., Thermodynamic phase diagram analysis of three binary systems shared by five neopentane derivatives, Calphad, 1994, 18, 4, 387-396, https://doi.org/10.1016/0364-5916(94)90016-7 . [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, Mass spectrum (electron ionization), References