Neopentyl glycol
- Formula: C5H12O2
- Molecular weight: 104.1476
- IUPAC Standard InChI: InChI=1S/C5H12O2/c1-5(2,3-6)4-7/h6-7H,3-4H2,1-2H3
- IUPAC Standard InChIKey: SLCVBVWXLSEKPL-UHFFFAOYSA-N
- CAS Registry Number: 126-30-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: 1,3-Propanediol, 2,2-dimethyl-; Dimethylolpropane; Neopentanediol; Neopentylene glycol; 2,2-Dimethyl-1,3-propanediol; Dimethyltrimethylene glycol; Hydroxypivalyl alcohol; NPG; Neol; 1,3-Dihydroxy-2,2-dimethylpropane; 2,2-Dimethyl-1,3-dihydroxypropane; 2,2-Dimethylpropane-1,3-diol; NPG Glycol; 2,2-Dimethyltrimethylene glycol; NSC 55836
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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 |
|---|---|---|---|---|---|
| ΔfH°solid | -131.7 ± 1.0 | kcal/mol | Ccb | Gardner and Hussain, 1972 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -748.4 ± 1.0 | kcal/mol | Ccb | Gardner and Hussain, 1972 | Corresponding ΔfHºsolid = -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 |
|---|---|---|---|
| 43.781 | 298.15 | Zhang, Zou, et al., 1988 | T = 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 |
| 43.781 | 298.15 | Zhang, Zou, et al., 1988 | T = 270 to 440 K.; DH |
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
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By formula: C5H12O2 + C3H6O = C8H16O2 + H2O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -2.7 | kcal/mol | Eqk | Anteunis and Rommelaere, 1970 | liquid phase |
References
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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]
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]
Notes
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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