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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
Deltafsolid-131.7 ± 1.0kcal/molCcbGardner and Hussain, 1972ALS
Quantity Value Units Method Reference Comment
Deltacsolid-748.4 ± 1.0kcal/molCcbGardner and Hussain, 1972Corresponding «DELTA»fsolid = -131.75 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
43.781298.15Zhang, 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
43.781298.15Zhang, Zou, et al., 1988T = 270 to 440 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
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

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
19.0415.AStephenson and Malanowski, 1987Based on data from 400. - 480. K.; AC

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Method Reference Comment
1.09401.2DSCSingh and Murthy, 2009AC
1.80402.4ACTong, Tan, et al., 2007Based on data from 78. - 410. K.; AC
1.01401.6DSCDivi, Chellappa, et al., 2006AC
1.04402.8DSCSalud, López, et al., 1999AC
1.0402.5DSCGranzow, 1996AC
1.1403.2N/AFrank, Krzemicki, et al., 1973See also López, Van Braak, et al., 1994.; AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
10.46315.2Frank, Krzemicki, et al., 1973CAL
2.727403.2

Enthalpy of phase transition

DeltaHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
3.2598314.crystaline, IIcrystaline, IMurrill and Breed, 1970, 2DH
1.125398.crystaline, IliquidMurrill and Breed, 1970, 2DH
2.9661314.8crystaline, IIcrystaline, IZhang, Zou, et al., 1988DH
1.061403.3crystaline, IliquidZhang, Zou, et al., 1988DH
2.9661314.8crystaline, IIcrystaline, IZhang, Zou, et al., 1988DH
1.061403.3crystaline, IliquidZhang, Zou, et al., 1988DH

Entropy of phase transition

DeltaStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
10.3314.crystaline, IIcrystaline, IMurrill and Breed, 1970, 2DH
2.80398.crystaline, IliquidMurrill and Breed, 1970, 2DH
9.42314.8crystaline, IIcrystaline, IZhang, Zou, et al., 1988DH
2.51403.3crystaline, IliquidZhang, Zou, et al., 1988DH
9.42314.8crystaline, IIcrystaline, IZhang, Zou, et al., 1988DH
2.51403.3crystaline, 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:


Reaction thermochemistry data

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

Neopentyl glycol + Acetone = 1,3 Dioxane, 2,2,5,5-tetramethyl- + Water

By formula: C5H12O2 + C3H6O = C8H16O2 + H2O

Quantity Value Units Method Reference Comment
Deltar-2.7kcal/molEqkAnteunis and Rommelaere, 1970liquid phase

IR Spectrum

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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: Coblentz Society, Inc.

Spectrum

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IR spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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Owner COBLENTZ SOCIETY
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Source reference COBLENTZ NO. 853
Date 1960
Instrument Not specified, most likely a prism, grating, or hybrid spectrometer.
Resolution 4
Sampling procedure TRANSMISSION
Data processing DIGITIZED BY NIST FROM HARD COPY

This IR spectrum is from the Coblentz Society's evaluated infrared reference spectra collection.


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).

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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-1684
NIST MS number 229084

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.


Gas Chromatography

Go To: Top, Condensed phase thermochemistry data, 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
PackedApiezon L160.895.Bogoslovsky, Anvaer, et al., 1978Celite 545

References

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

Anteunis and Rommelaere, 1970
Anteunis, M.; Rommelaere, Y., NMR experiments on acetals. XXIX. The ease of acetonide formation of some glycols, Bull. Soc. Chim. Belg., 1970, 79, 523-530. [all data]

Bogoslovsky, Anvaer, et al., 1978
Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S., Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192. [all data]


Notes

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